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COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300010613874	1	44	0.0	-58.46	350.26	8.46	-50.00
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COC1=CC=C([C@@H]2C[N@@H+](CC3=NC(C)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613877	1	42	0.0	-58.58	341.30	6.53	-52.05
COC1=CC=C([C@@H]2CN(CC3=NC(C)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613877	1	41	-1.0	-55.07	335.23	4.07	-51.00
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COC1=CC=C([C@@H]2C[N@@H+](CC3=NC(C4CCCC4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613879	1	52	0.0	-57.66	406.39	8.80	-48.86
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COC1=CC=C([C@@H]2C[N@@H+](CC(OC(C)C)C3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613900	1	57	0.0	-56.55	432.39	12.47	-44.08
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COC1=CC=C([C@@H]2C[N@H+](CC3=CC=C4COCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613902	0	49	0.0	-56.97	380.67	10.04	-46.93
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=C4COCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613902	1	49	0.0	-58.24	383.67	10.11	-48.13
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=CC(OC(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300010613903	0	56	0.0	-56.16	427.83	10.98	-45.18
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=CC(OC(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300010613903	1	56	0.0	-57.54	423.91	11.00	-46.54
COC1=CC=C([C@@H]2C[N@H+](CC3=NC(C4=CC(C)=CC=N4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613904	0	51	0.0	-64.50	415.41	8.34	-56.16
COC1=CC=C([C@@H]2C[N@@H+](CC3=NC(C4=CC(C)=CC=N4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613904	1	51	0.0	-60.60	417.46	8.37	-52.23
COC1=CC=C([C@@H]2CN(CC3=NC(CS(C)(=O)=O)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613905	0	47	-1.0	-65.59	398.91	1.45	-64.14
COC1=CC=C([C@@H]2C[N@H+](CC3=NC(CS(C)(=O)=O)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613905	1	48	0.0	-70.13	402.92	3.88	-66.25
COC1=CC=C([C@@H]2C[N@@H+](CC3=NC(CS(C)(=O)=O)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300010613905	1	48	0.0	-69.26	404.89	3.91	-65.35
COCCC1=NC(CN2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300010613906	0	48	-1.0	-51.31	392.06	3.45	-47.86
COCCC1=NC(C[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300010613906	1	49	0.0	-53.49	394.41	6.10	-47.39
COCCC1=NC(C[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300010613906	1	49	0.0	-53.64	396.36	6.13	-47.51
COC1=CC=C([C@@H]2C[N@H+](CCC3=CN(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613907	0	47	0.0	-54.59	371.22	9.41	-45.18
COC1=CC=C([C@@H]2C[N@@H+](CCC3=CN(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010613907	1	47	0.0	-57.12	372.58	9.44	-47.68
CCN1C=C(CC[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300010613908	0	50	0.0	-50.64	393.23	10.28	-40.36
CCN1C=C(CC[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300010613908	1	50	0.0	-56.74	394.11	10.30	-46.44
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COC1=CC=C([C@@H]2C[N@H+](CCCC3CCOCC3)C[C@H]2C(=O)[O-])C=C1	REAL300010613910	0	54	0.0	-49.43	403.59	10.24	-39.19
COC1=CC=C([C@@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]2C(=O)[O-])C=C1	REAL300010613910	1	54	0.0	-56.13	403.36	10.22	-45.91
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COC1=CC=C([C@@H]2C[N@@H+](CC3=C(F)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613997	1	44	0.0	-48.56	361.19	11.05	-37.51
COC1=CC=C([C@@H]2C[N@H+](CC3=C(Cl)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613998	0	44	0.0	-44.28	368.68	11.51	-32.77
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(Cl)C=CC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300010613998	1	44	0.0	-46.77	370.01	11.45	-35.32
COC1=CC=C([C@@H]2C[N@H+](CC3=C(C)C=C(C(C)(C)C)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300010613999	0	62	0.0	-50.34	450.56	14.18	-36.16
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(C)C=C(C(C)(C)C)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300010613999	1	62	0.0	-50.86	450.16	13.96	-36.90
COC1=CC=C([C@@H]2C[N@H+](CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010614000	0	46	0.0	-64.84	374.04	11.47	-53.37
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC=CC([N+](=O)[O-])=C3)C[C@H]2C(=O)[O-])C=C1	REAL300010614000	1	46	0.0	-70.80	375.71	11.47	-59.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010765593	0	32	-1.0	-58.37	298.93	4.09	-54.28
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765594	0	40	-1.0	-54.42	332.16	5.03	-49.39
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765595	0	33	-1.0	-59.88	309.22	6.11	-53.77
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765596	0	33	-1.0	-51.84	286.13	5.22	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010765597	0	30	-1.0	-56.37	287.50	4.15	-52.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010765598	0	25	-1.0	-50.77	262.35	4.65	-46.12
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765599	0	29	-1.0	-52.03	285.36	3.47	-48.56
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN1C	REAL300010765600	0	35	-1.0	-59.40	316.98	4.60	-54.80
CN(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010765601	0	38	-1.0	-50.32	342.84	4.61	-45.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010765602	0	37	-1.0	-54.96	318.17	5.05	-49.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010765603	0	32	-1.0	-55.49	293.29	5.21	-50.28
CSC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765604	0	29	-1.0	-45.82	287.95	5.02	-40.80
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765605	0	35	-1.0	-66.68	317.04	0.14	-66.54
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010765606	0	34	-1.0	-57.22	309.90	4.54	-52.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010765607	0	40	-1.0	-42.12	346.48	3.99	-38.13
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765608	0	43	0.0	-83.99	350.27	4.78	-79.21
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765609	0	28	-1.0	-50.97	262.59	4.64	-46.33
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765610	0	31	-1.0	-49.70	300.25	4.43	-45.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010765611	0	25	-1.0	-48.23	276.34	4.94	-43.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010765612	0	25	-1.0	-52.42	255.56	4.11	-48.31
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010765613	0	52	-1.0	-53.92	421.29	8.20	-45.72
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765614	0	39	-1.0	-60.66	350.05	4.77	-55.89
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010765615	0	28	-1.0	-54.55	277.93	2.64	-51.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010765616	0	40	-1.0	-49.17	327.18	4.28	-44.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010765617	0	31	-1.0	-52.34	301.16	6.47	-45.87
COC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765618	0	28	-1.0	-51.99	302.64	3.98	-48.01
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765619	0	33	-1.0	-58.25	301.75	1.76	-56.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010765621	0	28	-1.0	-48.84	290.03	5.06	-43.78
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765622	0	36	-1.0	-64.52	312.05	2.58	-61.94
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765623	0	30	-1.0	-49.71	285.35	5.10	-44.61
COC1=C(F)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765624	0	31	-1.0	-47.68	297.44	4.41	-43.27
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765625	0	35	-1.0	-40.73	323.45	2.90	-37.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010765626	0	36	-1.0	-54.37	331.63	5.37	-49.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010765627	0	43	-1.0	-61.60	369.66	6.21	-55.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010765628	0	40	-1.0	-61.42	350.78	5.02	-56.40
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300010765629	0	33	-1.0	-53.61	306.32	3.43	-50.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010765630	0	28	-1.0	-51.98	272.99	4.48	-47.50
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765631	0	28	-1.0	-52.87	277.27	4.83	-48.04
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765632	0	32	-1.0	-50.55	307.96	3.22	-47.33
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765633	0	36	-1.0	-72.75	318.61	3.46	-69.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010765634	0	37	-1.0	-59.87	328.65	3.45	-56.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010765635	0	31	-1.0	-53.32	315.04	1.67	-51.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010765636	0	25	-1.0	-50.00	274.23	4.86	-45.14
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010765637	0	33	-1.0	-46.66	302.24	4.81	-41.85
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765638	0	35	-1.0	-40.73	323.45	2.90	-37.83
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010765639	0	35	-1.0	-55.67	311.14	4.12	-51.55
COC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=CS1	REAL300010765640	0	31	-1.0	-61.62	283.13	4.54	-57.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765641	0	36	-1.0	-58.69	315.83	3.81	-54.88
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765642	0	39	-1.0	-59.99	343.72	4.84	-55.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010765643	0	39	-1.0	-58.22	342.03	6.98	-51.24
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765644	0	33	-1.0	-62.59	308.38	5.92	-56.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010765645	0	25	-1.0	-49.38	270.37	4.56	-44.82
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2O1	REAL300010765646	0	40	-1.0	-45.42	356.45	6.23	-39.19
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765647	0	37	-1.0	-56.44	317.66	5.56	-50.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010765648	0	25	-1.0	-50.64	261.70	4.38	-46.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300010765649	0	46	-1.0	-47.67	380.43	4.26	-43.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010765650	0	44	-1.0	-61.71	365.59	1.44	-60.27
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300010765651	0	33	-1.0	-54.29	281.13	6.38	-47.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010765652	0	31	-1.0	-55.80	295.56	5.33	-50.47
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765653	0	35	-1.0	-45.36	311.52	6.00	-39.36
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765654	0	28	-1.0	-48.47	267.94	4.66	-43.81
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765655	0	33	-1.0	-48.83	287.45	5.35	-43.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010765656	0	25	-1.0	-51.80	259.14	4.43	-47.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010765657	0	27	-1.0	-57.00	281.36	6.10	-50.90
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010765658	0	34	-1.0	-47.43	324.99	5.56	-41.87
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765659	0	35	-1.0	-45.36	311.52	6.00	-39.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010765660	0	25	-1.0	-41.64	268.89	4.63	-37.01
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010765661	0	36	-1.0	-49.83	330.47	3.40	-46.43
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010765662	0	25	-1.0	-41.63	253.50	3.95	-37.68
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765663	0	31	-1.0	-41.62	292.07	4.24	-37.38
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010765664	0	39	-1.0	-54.55	322.31	5.42	-49.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010765665	0	26	-1.0	-41.59	273.26	4.45	-37.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010765666	0	27	-1.0	-47.91	280.89	4.91	-43.00
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765667	0	32	-1.0	-51.95	286.44	3.84	-48.11
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010765668	0	31	-1.0	-50.32	312.72	4.45	-45.87
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010765669	0	33	-1.0	-52.29	299.40	3.06	-49.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010765670	0	29	-1.0	-45.97	278.21	3.19	-42.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010765671	0	28	-1.0	-37.81	277.10	4.62	-33.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765672	0	36	-1.0	-48.95	324.09	0.64	-48.31
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2S1	REAL300010765673	0	37	-1.0	-54.08	348.60	6.62	-47.46
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010765674	0	31	-1.0	-65.39	293.72	3.50	-61.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010765675	0	30	-1.0	-57.75	290.74	-0.81	-58.56
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765676	0	31	-1.0	-55.03	288.95	4.14	-50.89
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765677	0	33	-1.0	-60.82	302.61	5.11	-55.71
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010765678	0	29	-1.0	-51.30	269.06	3.02	-48.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010765679	0	31	-1.0	-42.74	294.30	4.54	-38.20
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765680	0	31	-1.0	-44.70	276.99	4.73	-39.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010765681	0	25	-1.0	-49.14	256.31	4.24	-44.90
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(=O)[O-])OCC(=O)N2	REAL300010765682	0	35	-1.0	-57.34	307.12	0.68	-56.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010765683	0	27	-1.0	-48.84	278.65	4.65	-44.19
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010765684	0	27	-1.0	-47.68	274.92	4.53	-43.15
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010765685	0	25	-1.0	-38.91	258.72	4.80	-34.11
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010765686	0	28	-1.0	-49.00	278.51	4.75	-44.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010765687	0	25	-1.0	-53.35	255.25	4.05	-49.30
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010765688	0	35	-1.0	-44.79	314.83	4.27	-40.52
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010765689	0	25	-1.0	-49.05	259.86	4.48	-44.57
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010765690	0	28	-1.0	-41.51	276.28	4.85	-36.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010765691	0	29	-1.0	-56.80	285.82	0.84	-55.96
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765692	0	34	-1.0	-68.56	300.79	6.26	-62.30
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765693	0	33	-1.0	-60.11	294.62	1.71	-58.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010765694	0	29	-1.0	-56.58	290.38	0.94	-55.64
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010765695	0	29	-1.0	-37.36	289.41	4.73	-32.63
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765696	0	32	-1.0	-45.79	301.17	4.09	-41.70
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010765697	0	28	-1.0	-43.62	293.56	5.05	-38.57
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010765698	0	26	-1.0	-42.42	262.22	4.16	-38.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010765699	0	26	-1.0	-53.92	266.51	4.23	-49.69
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765700	0	31	-1.0	-50.60	280.35	5.05	-45.55
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765701	0	42	-1.0	-46.64	369.51	3.26	-43.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010765702	0	31	-1.0	-60.76	288.80	4.84	-55.92
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765703	0	35	-1.0	-65.33	317.16	0.98	-64.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Br	REAL300010765704	0	31	-1.0	-57.84	303.90	1.47	-56.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2CC1	REAL300010765705	0	42	-1.0	-57.42	346.71	5.53	-51.89
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010765706	0	34	-1.0	-47.32	317.69	5.02	-42.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010765707	0	35	-1.0	-50.80	324.77	5.18	-45.62
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765708	0	34	-1.0	-54.30	304.01	6.04	-48.26
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765709	0	34	-1.0	-53.90	299.83	5.75	-48.15
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765710	0	35	-1.0	-61.88	314.17	2.59	-59.29
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765711	0	39	-1.0	-56.42	344.28	4.56	-51.86
CN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010765712	0	38	-1.0	-42.60	332.01	5.08	-37.52
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010765713	0	34	-1.0	-50.64	323.35	5.45	-45.19
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010765714	0	27	-1.0	-39.09	276.23	5.26	-33.83
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765715	0	33	-1.0	-43.78	285.79	4.46	-39.32
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010765716	0	36	-1.0	-55.07	326.41	3.34	-51.73
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1C	REAL300010765717	0	37	-1.0	-53.33	326.86	5.60	-47.73
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765718	0	39	-1.0	-58.34	344.29	1.74	-56.60
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765719	0	36	-1.0	-58.58	311.54	3.18	-55.40
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010765720	0	34	-1.0	-50.35	327.10	5.54	-44.81
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765721	0	38	-1.0	-59.80	332.98	5.04	-54.76
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010765722	0	37	-1.0	-46.89	325.44	5.66	-41.23
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765723	0	37	-1.0	-47.51	331.56	5.92	-41.59
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765724	0	31	-1.0	-46.86	299.65	5.62	-41.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010765725	0	28	-1.0	-54.74	278.76	5.60	-49.14
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765726	0	34	-1.0	-56.99	310.84	5.05	-51.94
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010765727	0	35	-1.0	-49.42	306.93	6.95	-42.47
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765728	0	39	-1.0	-55.82	353.72	1.34	-54.48
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010765729	0	28	-1.0	-45.75	271.76	4.80	-40.95
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN1C	REAL300010765730	0	37	-1.0	-57.52	335.97	4.78	-52.74
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010765731	0	31	-1.0	-43.96	303.27	1.49	-42.47
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010765732	0	29	-1.0	-45.64	279.83	4.44	-41.20
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)N1C	REAL300010765733	0	28	-1.0	-56.97	274.03	3.00	-53.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765734	0	38	-1.0	-58.48	324.88	4.39	-54.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010765735	0	28	-2.0	-104.15	273.16	3.22	-100.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010765735	1	29	-1.0	-54.60	275.05	2.51	-52.09
CN(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010765736	0	42	-1.0	-53.47	376.13	3.93	-49.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010765737	0	26	-1.0	-49.80	274.69	4.38	-45.42
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765738	0	36	-1.0	-57.93	326.58	3.00	-54.93
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010765739	0	40	-1.0	-43.03	345.69	6.37	-36.66
CN(C)C(=O)COC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765740	0	39	-1.0	-55.11	377.37	5.63	-49.48
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765741	0	37	-1.0	-57.94	338.24	2.76	-55.18
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765742	0	36	-1.0	-50.37	354.94	4.31	-46.06
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Br)=C1C	REAL300010765743	0	37	-1.0	-49.96	345.11	6.18	-43.78
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010765744	0	24	-1.0	-46.82	265.28	2.76	-44.06
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765745	0	32	-1.0	-53.41	306.37	3.78	-49.63
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765746	0	34	-1.0	-56.91	322.01	6.01	-50.90
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300010765747	0	31	-1.0	-40.99	287.18	5.07	-35.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010765748	0	36	-1.0	-42.99	338.15	6.91	-36.08
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765749	0	34	-1.0	-47.70	309.71	4.99	-42.71
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010765750	0	31	-1.0	-42.46	292.66	5.46	-37.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010765751	0	25	-1.0	-50.13	266.54	3.77	-46.36
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1I	REAL300010765752	0	28	-1.0	-41.41	278.11	5.20	-36.21
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765753	0	38	-1.0	-58.88	344.42	3.91	-54.97
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765754	0	41	-1.0	-58.53	366.28	4.84	-53.69
COC(=O)C1(CS(=O)(=O)N(C)CC(=O)[O-])CCCCC1	REAL300010765755	0	40	-1.0	-62.75	320.81	5.05	-57.70
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C	REAL300010765756	0	33	-1.0	-49.80	300.22	2.92	-46.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010765757	0	29	-1.0	-52.07	280.46	3.25	-48.82
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765758	0	34	-1.0	-53.69	327.95	5.64	-48.05
CN(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010765759	0	41	-1.0	-50.74	364.33	5.39	-45.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010765760	0	27	-1.0	-47.65	276.43	3.09	-44.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010765761	0	26	-1.0	-55.73	264.29	2.96	-52.77
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010765762	0	28	-1.0	-41.40	268.63	2.00	-39.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010765763	0	27	-1.0	-57.15	276.95	6.01	-51.14
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1C	REAL300010765764	0	34	-1.0	-53.45	305.00	4.67	-48.78
CC1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2N=C1Cl	REAL300010765765	0	33	-1.0	-47.04	309.24	4.93	-42.11
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(C)C)=C1	REAL300010765766	0	52	-1.0	-44.65	390.54	9.34	-35.31
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010765767	0	30	-1.0	-48.24	281.95	5.07	-43.17
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765768	0	37	-1.0	-58.87	334.37	5.91	-52.96
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765769	0	32	-1.0	-51.66	302.79	3.85	-47.81
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(=O)[O-])CCC2=C1	REAL300010765770	0	37	-1.0	-46.07	311.46	5.12	-40.95
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010765771	0	28	-1.0	-46.22	282.36	5.56	-40.66
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765772	0	39	-1.0	-61.60	350.74	1.88	-59.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765772	1	38	-2.0	-96.25	347.49	1.97	-94.28
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010765773	0	28	-1.0	-39.24	282.01	4.91	-34.33
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010765774	0	34	-1.0	-50.96	315.69	1.75	-49.21
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765775	0	34	-1.0	-51.66	309.47	5.04	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010765776	0	40	-1.0	-62.20	356.18	4.10	-58.10
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765777	0	38	-1.0	-60.56	330.56	3.90	-56.66
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(=O)[O-])C(CC)=C1	REAL300010765778	0	43	-1.0	-42.08	328.33	7.72	-34.36
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300010765779	0	44	-1.0	-51.97	375.48	4.36	-47.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010765780	0	27	-1.0	-47.77	280.93	3.46	-44.31
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765781	0	33	-1.0	-47.29	301.13	3.31	-43.98
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010765782	0	33	-1.0	-51.86	305.12	2.14	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010765783	0	30	-1.0	-54.06	287.01	-1.50	-55.56
CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010765784	0	36	-1.0	-65.03	307.87	0.66	-64.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010765785	0	28	-1.0	-53.74	265.92	0.99	-52.75
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765786	0	38	-1.0	-59.98	330.17	4.70	-55.28
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010765787	0	34	-1.0	-54.91	301.01	6.41	-48.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010765788	0	29	-1.0	-51.81	272.61	3.80	-48.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010765789	0	29	-1.0	-51.81	282.94	4.25	-47.56
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765790	0	34	-1.0	-49.75	315.17	5.05	-44.70
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765791	0	38	-1.0	-44.14	322.01	5.43	-38.71
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010765792	0	28	-1.0	-40.03	289.77	5.29	-34.74
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010765793	0	28	-1.0	-42.05	288.41	5.30	-36.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010765794	0	28	-1.0	-43.40	272.40	2.66	-40.74
CCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010765795	0	33	-1.0	-50.60	295.21	5.38	-45.22
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765796	0	41	-1.0	-57.80	332.61	5.78	-52.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010765797	0	32	-1.0	-55.27	309.40	5.96	-49.31
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010765798	0	34	-1.0	-54.53	310.82	5.07	-49.46
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765799	0	34	-1.0	-53.29	328.06	5.19	-48.10
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=N1	REAL300010765800	0	34	-1.0	-44.58	318.99	5.03	-39.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010765801	0	31	-1.0	-56.31	303.88	4.60	-51.71
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765802	0	34	-1.0	-57.05	309.27	4.76	-52.29
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765803	0	31	-1.0	-42.78	287.42	5.40	-37.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010765804	0	40	-1.0	-49.87	348.60	1.38	-48.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010765805	0	32	-1.0	-60.83	299.08	1.44	-59.39
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])SC(Br)=C1	REAL300010765806	0	25	-1.0	-50.73	262.13	4.07	-46.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010765807	0	34	-1.0	-48.87	289.10	3.93	-44.94
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765808	0	35	-1.0	-53.73	301.96	2.39	-51.34
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765809	0	29	-1.0	-51.80	283.47	4.13	-47.67
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(=O)[O-])C(=O)NCCC2	REAL300010765810	0	40	-1.0	-64.40	332.54	2.54	-61.86
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CC(=O)[O-])S2)C1	REAL300010765811	0	36	-1.0	-57.88	325.18	4.10	-53.78
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010765812	0	32	-1.0	-54.65	306.79	6.13	-48.52
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010765813	0	28	-1.0	-42.34	278.07	4.86	-37.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010765814	0	29	-1.0	-52.21	284.96	0.89	-51.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010765815	0	25	-1.0	-49.15	272.60	4.68	-44.47
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765816	0	50	-1.0	-53.17	414.90	8.48	-44.69
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765817	0	40	-1.0	-48.92	342.60	5.90	-43.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010765818	0	25	-1.0	-47.24	275.06	4.93	-42.31
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765819	0	35	-1.0	-56.20	320.95	5.80	-50.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010765820	0	25	-1.0	-42.53	259.77	4.22	-38.31
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010765821	0	31	-1.0	-41.62	292.07	4.24	-37.38
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010765822	0	39	-1.0	-45.81	340.95	6.63	-39.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010765823	0	39	-1.0	-48.44	350.21	6.90	-41.54
CN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010765824	0	24	-1.0	-46.02	242.46	2.72	-43.30
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C2)=N1	REAL300010765825	0	37	-1.0	-55.52	319.05	3.08	-52.44
COC(CS(=O)(=O)N(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300010765826	0	35	-1.0	-56.07	315.76	4.70	-51.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010765827	0	37	-1.0	-46.51	316.74	4.99	-41.52
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010765828	0	33	-1.0	-44.72	314.65	2.45	-42.27
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010765829	0	37	-1.0	-54.84	319.28	6.09	-48.75
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765830	0	36	-1.0	-45.07	318.47	2.75	-42.32
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010765831	0	31	-1.0	-56.28	293.55	4.16	-52.12
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Cl)C=C21	REAL300010765832	0	36	-1.0	-62.74	320.23	4.96	-57.78
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765833	0	38	-1.0	-49.42	322.78	5.21	-44.21
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010765834	0	44	-1.0	-43.98	364.22	6.60	-37.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010765835	0	28	-1.0	-63.79	283.44	3.38	-60.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010765836	0	33	-1.0	-52.78	289.35	5.54	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010765837	0	38	-1.0	-43.98	330.12	5.75	-38.23
CCC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=CN1CC1CC1	REAL300010765838	0	38	-1.0	-58.25	328.08	5.37	-52.88
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765839	0	31	-1.0	-62.89	301.48	5.88	-57.01
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C1	REAL300010765840	0	36	-1.0	-59.02	318.97	4.15	-54.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010765841	0	28	-1.0	-47.71	276.93	2.15	-45.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010765842	0	36	-1.0	-55.55	334.60	7.68	-47.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765843	0	28	-1.0	-48.45	267.94	4.64	-43.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010765844	0	35	-1.0	-49.33	282.20	6.31	-43.02
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010765845	0	45	-1.0	-53.15	387.02	8.37	-44.78
CC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765846	0	31	-1.0	-44.04	293.12	5.46	-38.58
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765847	0	32	-1.0	-58.65	302.58	4.24	-54.41
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010765848	0	24	-1.0	-53.00	250.81	2.10	-50.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010765849	0	31	-1.0	-64.97	286.30	1.98	-62.99
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010765850	0	32	-1.0	-44.04	308.29	2.84	-41.20
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C)C=C1OC	REAL300010765851	0	38	-1.0	-52.83	312.12	4.77	-48.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010765852	0	31	-1.0	-50.42	305.78	5.42	-45.00
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765853	0	33	-1.0	-58.47	303.75	4.55	-53.92
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765854	0	28	-1.0	-48.59	277.07	5.05	-43.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(Br)=C1	REAL300010765855	0	25	-1.0	-48.55	276.56	4.82	-43.73
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010765856	0	32	-1.0	-49.55	295.63	3.43	-46.12
CC1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2NC1=O	REAL300010765857	0	34	-1.0	-44.26	303.76	3.28	-40.98
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010765858	0	34	-1.0	-51.12	314.63	4.92	-46.20
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010765859	0	30	-1.0	-50.58	278.47	4.66	-45.92
CN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010765860	0	31	-1.0	-55.81	289.96	4.91	-50.90
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010765861	0	25	-1.0	-51.11	250.11	1.47	-49.64
CN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010765862	0	34	-1.0	-53.09	328.73	5.90	-47.19
CN(CC(=O)[O-])S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010765863	0	25	-1.0	-50.14	255.74	1.91	-48.23
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1F	REAL300010765864	0	35	-1.0	-54.19	315.66	4.16	-50.03
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765865	0	35	-1.0	-66.59	309.57	4.55	-62.04
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010765866	0	41	-1.0	-44.28	342.72	5.80	-38.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010765867	0	37	-1.0	-41.48	310.99	5.81	-35.67
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010765868	0	44	-1.0	-57.23	359.55	8.12	-49.11
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765869	0	30	-1.0	-58.15	293.82	3.61	-54.54
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765870	0	28	-1.0	-52.08	275.59	1.45	-50.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010765871	0	30	-1.0	-54.04	289.46	4.44	-49.60
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010765872	0	27	-1.0	-50.25	273.72	3.45	-46.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010765873	0	35	-1.0	-58.02	320.39	4.40	-53.62
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010765874	0	24	-1.0	-44.76	259.48	1.88	-42.88
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010765875	0	27	-1.0	-50.83	287.47	3.67	-47.16
CN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010765876	0	36	-1.0	-45.09	316.84	0.09	-45.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010765877	0	26	-1.0	-49.29	279.13	2.68	-46.61
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765878	0	34	-1.0	-59.06	312.51	4.98	-54.08
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010765879	0	28	-1.0	-46.83	280.47	4.70	-42.13
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010765880	0	28	-1.0	-42.63	263.27	1.80	-40.83
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010765881	0	22	-1.0	-39.74	234.34	2.88	-36.86
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010765882	0	28	-1.0	-46.83	261.38	2.32	-44.51
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765883	0	43	-1.0	-56.92	369.10	5.36	-51.56
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010765884	0	25	-1.0	-55.57	252.00	1.55	-54.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2	REAL300010765885	0	36	-1.0	-54.66	315.38	3.86	-50.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010765886	0	39	-1.0	-54.43	339.87	4.78	-49.65
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765887	0	28	-1.0	-48.43	277.07	5.05	-43.38
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010765888	0	47	-1.0	-45.36	385.71	7.39	-37.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010765889	0	36	-1.0	-57.21	315.24	3.96	-53.25
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300010765890	0	47	-1.0	-44.26	376.76	7.27	-36.99
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1CC	REAL300010765891	0	41	-1.0	-45.31	347.29	6.07	-39.24
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765892	0	36	-1.0	-47.77	338.13	3.71	-44.06
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765893	0	39	-1.0	-64.87	328.50	3.32	-61.55
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010765894	0	28	-1.0	-42.31	286.51	5.24	-37.07
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010765895	0	28	-1.0	-42.63	277.39	4.84	-37.79
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010765896	0	35	-1.0	-62.75	316.05	5.52	-57.23
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010765897	0	31	-1.0	-40.59	292.07	5.43	-35.16
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010765898	0	29	-1.0	-44.92	279.24	3.71	-41.21
CCOC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])N(C)N=C1	REAL300010765899	0	34	-1.0	-56.63	297.90	3.27	-53.36
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010765900	0	37	-1.0	-44.69	338.45	5.19	-39.50
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765901	0	38	-1.0	-54.55	337.05	4.51	-50.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765902	0	41	-1.0	-53.42	348.11	6.36	-47.06
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010765903	0	45	-1.0	-59.74	358.20	5.96	-53.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010765904	0	39	-1.0	-44.41	328.29	3.63	-40.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010765905	0	40	-1.0	-55.43	343.51	6.20	-49.23
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010765906	0	39	-1.0	-71.34	334.79	5.51	-65.83
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010765907	0	40	-1.0	-52.61	363.43	7.42	-45.19
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010765908	0	37	-1.0	-45.19	306.63	5.65	-39.54
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765909	0	38	-1.0	-61.02	332.75	5.02	-56.00
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765910	0	35	-1.0	-66.30	307.94	4.57	-61.73
CN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010765911	0	36	-1.0	-57.18	306.72	1.65	-55.53
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010765912	0	31	-1.0	-52.66	300.81	4.48	-48.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010765913	0	31	-1.0	-42.53	283.46	0.79	-41.74
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010765914	0	50	-1.0	-43.90	407.21	8.16	-35.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765915	0	41	-1.0	-54.87	328.61	5.18	-49.69
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765916	0	35	-1.0	-56.93	301.49	5.03	-51.90
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010765917	0	48	-1.0	-46.94	398.20	6.02	-40.92
CC1=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C(C)S1	REAL300010765918	0	28	-1.0	-40.30	271.32	4.76	-35.54
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010765919	0	28	-1.0	-53.84	278.26	5.54	-48.30
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010765920	0	37	-1.0	-49.29	335.57	6.08	-43.21
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Br	REAL300010765921	0	31	-1.0	-55.20	294.06	4.49	-50.71
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010765922	0	42	-1.0	-65.06	342.25	5.61	-59.45
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010765923	0	31	-1.0	-47.46	284.97	4.16	-43.30
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010765924	0	39	-1.0	-54.53	331.10	5.06	-49.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010765925	0	25	-1.0	-48.27	257.28	1.65	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010765926	0	29	-1.0	-56.55	283.87	3.98	-52.57
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010765927	0	28	-1.0	-64.40	278.88	3.28	-61.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010765928	0	34	-1.0	-61.39	302.29	0.80	-60.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010765929	0	26	-1.0	-37.63	273.28	4.45	-33.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010765930	0	41	-1.0	-58.65	378.93	4.51	-54.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010765930	1	40	-2.0	-91.17	375.95	2.93	-88.24
COC1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010765931	0	33	-1.0	-48.94	291.38	3.87	-45.07
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765932	0	28	-1.0	-49.87	292.60	2.96	-46.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010765933	0	22	-1.0	-50.32	254.12	3.77	-46.55
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010765934	0	38	-1.0	-46.19	314.69	4.25	-41.94
CN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010765935	0	29	-1.0	-57.97	283.44	5.43	-52.54
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010765936	0	29	-1.0	-60.22	283.91	3.99	-56.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010765937	0	25	-2.0	-102.79	267.16	3.28	-99.51
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010765938	0	31	-1.0	-42.70	278.68	5.17	-37.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010765939	0	31	-1.0	-52.11	302.78	4.68	-47.43
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765940	0	43	-1.0	-55.12	339.33	7.04	-48.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010765941	0	31	-1.0	-44.70	303.96	5.42	-39.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010765942	0	36	-1.0	-57.80	326.55	6.48	-51.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010765943	0	38	-1.0	-53.36	322.55	1.96	-51.40
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010765944	0	34	-1.0	-55.93	297.48	4.79	-51.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010765945	0	29	-1.0	-47.50	290.42	4.92	-42.58
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C=C1	REAL300010765946	0	37	-1.0	-55.17	334.64	6.49	-48.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010765947	0	34	-1.0	-48.54	321.77	6.14	-42.40
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300010765948	0	30	-1.0	-48.26	284.89	3.39	-44.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010765949	0	28	-1.0	-49.05	279.71	4.62	-44.43
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010765950	0	25	-1.0	-40.48	250.22	3.56	-36.92
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010765951	0	25	-1.0	-42.28	264.66	3.66	-38.62
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765952	0	35	-1.0	-57.41	316.75	2.57	-54.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010765953	0	28	-1.0	-37.89	284.66	4.98	-32.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010765954	0	35	-1.0	-44.24	313.04	5.24	-39.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010765955	0	31	-1.0	-42.85	289.76	4.44	-38.41
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010765956	0	30	-1.0	-53.07	286.95	4.14	-48.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765957	0	35	-1.0	-51.67	330.77	4.32	-47.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010765958	0	25	-1.0	-51.57	260.90	4.45	-47.12
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010765959	0	25	-1.0	-57.95	257.55	3.83	-54.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010765960	0	28	-1.0	-54.76	268.38	5.14	-49.62
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765961	0	31	-1.0	-51.60	300.76	3.90	-47.70
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010765962	0	27	-1.0	-49.46	288.35	3.81	-45.65
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765963	0	34	-1.0	-61.98	305.78	1.06	-60.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010765964	0	28	-1.0	-58.84	287.90	0.07	-58.77
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010765965	0	34	-1.0	-61.98	305.78	1.06	-60.92
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765966	0	37	-1.0	-68.42	326.54	7.76	-60.66
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010765967	0	39	-1.0	-53.57	326.44	2.49	-51.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010765968	0	32	-1.0	-41.34	322.05	3.47	-37.87
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010765969	0	40	-1.0	-41.89	327.71	6.18	-35.71
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010765970	0	36	-1.0	-51.54	297.21	5.59	-45.95
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010765971	0	33	-1.0	-39.61	287.81	3.63	-35.98
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010765972	0	34	-1.0	-58.01	316.78	5.76	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010765973	0	28	-1.0	-53.33	293.25	5.58	-47.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010765974	0	35	-1.0	-51.79	314.99	4.72	-47.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010765975	0	38	-1.0	-51.89	320.36	4.53	-47.36
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010765976	0	28	-1.0	-46.06	284.86	5.67	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010765977	0	36	-1.0	-45.05	321.42	6.40	-38.65
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765978	0	37	-1.0	-61.41	322.77	6.32	-55.09
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1Br	REAL300010765979	0	31	-1.0	-50.64	291.67	5.32	-45.32
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010765980	0	30	-1.0	-52.87	293.49	5.01	-47.86
CN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010765981	0	31	-1.0	-53.76	309.65	4.81	-48.95
CN(CC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010765982	0	37	-1.0	-57.36	318.04	1.32	-56.04
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010765983	0	29	-1.0	-45.34	283.53	5.26	-40.08
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)CC(=O)[O-])=C2	REAL300010765984	0	31	-1.0	-51.64	319.06	4.80	-46.84
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010765985	0	25	-1.0	-41.85	262.23	4.45	-37.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010765986	0	27	-1.0	-52.85	269.86	2.70	-50.15
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010765987	0	30	-1.0	-61.13	287.57	4.65	-56.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010765988	0	30	-1.0	-49.49	272.59	4.02	-45.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010765989	0	27	-1.0	-52.85	269.86	2.70	-50.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010765990	0	28	-1.0	-53.33	293.25	5.58	-47.75
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010765991	0	29	-1.0	-44.42	284.24	4.52	-39.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010765992	0	39	-1.0	-43.31	337.36	5.06	-38.25
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CC(=O)[O-])O1	REAL300010765993	0	31	-1.0	-61.06	297.58	-0.12	-61.18
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010765994	0	35	-1.0	-61.99	313.11	4.85	-57.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010765995	0	31	-1.0	-56.73	305.40	0.98	-55.75
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010765996	0	29	-1.0	-52.47	287.16	5.38	-47.09
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010765997	0	29	-1.0	-52.33	287.16	5.39	-46.94
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010765998	0	34	-1.0	-58.36	310.01	2.55	-55.81
CN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010765999	0	42	-1.0	-57.86	310.94	6.48	-51.38
CCOC(=O)C1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C2C=CC=CN12	REAL300010766000	0	37	-1.0	-60.92	336.53	5.27	-55.65
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1F	REAL300010768994	0	35	-1.0	-45.05	294.85	2.94	-42.11
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010768995	0	35	-1.0	-45.79	313.03	3.33	-42.46
COC(=O)C1CCCCC1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768996	0	40	-1.0	-64.21	318.18	4.55	-59.66
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768997	0	43	-1.0	-54.06	343.74	3.86	-50.20
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010768998	0	36	-1.0	-43.05	317.31	4.91	-38.14
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010768999	0	35	-1.0	-49.54	305.21	1.70	-47.84
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769000	0	36	-1.0	-44.39	304.95	4.77	-39.62
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010769033	0	31	-1.0	-38.60	304.17	4.28	-34.32
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769034	0	39	-1.0	-42.90	313.78	0.77	-42.13
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769035	0	33	-1.0	-36.26	304.80	4.72	-31.54
COC1=C(F)C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010769036	0	34	-1.0	-42.54	312.16	3.61	-38.93
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010769037	0	38	-1.0	-40.96	338.43	2.03	-38.93
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010769038	0	39	-1.0	-60.66	349.76	4.73	-55.93
COC1=CC=C(CCS(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769039	0	38	-1.0	-57.13	324.20	3.82	-53.31
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010769040	0	46	-1.0	-60.59	393.83	5.57	-55.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010769041	0	43	-1.0	-59.88	374.92	4.37	-55.51
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010769042	0	39	-1.0	-44.35	328.08	4.14	-40.21
CC1=CC=NC2=C(S(=O)(=O)NC(C)CC(=O)[O-])C=CC=C12	REAL300010769043	0	36	-1.0	-62.55	297.02	4.61	-57.94
COC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300010769044	0	36	-1.0	-53.82	329.93	2.72	-51.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010769045	0	31	-1.0	-41.72	291.00	3.85	-37.87
CC1=CC(Br)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769046	0	31	-1.0	-40.56	291.41	4.06	-36.50
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010769047	0	35	-1.0	-55.18	325.20	2.55	-52.63
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010769048	0	39	-1.0	-48.29	322.46	3.07	-45.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010769049	0	40	-1.0	-48.66	334.51	3.13	-45.53
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010769050	0	34	-1.0	-42.14	329.16	0.92	-41.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010769051	0	28	-1.0	-48.90	299.44	4.56	-44.34
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010769051	1	27	-2.0	-110.48	295.84	4.40	-106.08
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010769052	0	36	-1.0	-46.49	318.25	4.01	-42.48
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010769053	0	38	-1.0	-40.96	338.43	2.03	-38.93
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010769054	0	31	-1.0	-39.00	293.28	4.10	-34.90
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(OC)=C1	REAL300010769055	0	38	-1.0	-45.47	329.92	3.70	-41.77
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=CS1	REAL300010769056	0	34	-1.0	-43.61	296.18	3.63	-39.98
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769057	0	39	-1.0	-59.64	341.87	3.06	-56.58
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769058	0	42	-1.0	-60.57	368.76	4.19	-56.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010769059	0	42	-1.0	-57.29	366.98	6.36	-50.93
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769060	0	36	-1.0	-40.82	317.11	4.92	-35.90
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010769061	0	28	-1.0	-38.91	288.61	3.95	-34.96
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010769061	1	27	-2.0	-112.24	289.76	3.93	-108.31
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010769062	0	40	0.0	-58.08	327.06	4.71	-53.37
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C2O1	REAL300010769063	0	43	-1.0	-52.21	374.59	5.58	-46.63
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769064	0	40	-1.0	-41.56	337.05	5.17	-36.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010769065	0	28	-1.0	-49.15	286.90	4.08	-45.07
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010769065	1	27	-2.0	-110.02	283.31	3.92	-106.10
CC1=CC=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300010769066	0	36	-1.0	-44.16	306.02	6.05	-38.11
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010769067	0	34	-1.0	-41.62	309.71	4.58	-37.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010769068	0	38	-1.0	-38.90	331.56	5.68	-33.22
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769069	0	31	-1.0	-36.48	287.41	4.25	-32.23
CC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010769070	0	36	-1.0	-38.00	303.64	4.64	-33.36
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010769071	0	28	-1.0	-41.78	276.90	3.89	-37.89
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010769072	0	30	-1.0	-40.59	289.57	4.95	-35.64
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010769072	1	29	-2.0	-112.38	292.84	4.93	-107.45
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010769073	0	38	-1.0	-38.90	331.56	5.68	-33.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010769074	0	28	-1.0	-49.20	287.04	3.99	-45.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010769075	0	39	-1.0	-49.92	347.39	2.73	-47.19
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010769076	0	27	-2.0	-116.72	269.21	3.19	-113.53
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769077	0	38	-1.0	-47.23	306.77	4.34	-42.89
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769078	0	34	-1.0	-52.38	310.22	3.59	-48.79
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769079	0	32	-1.0	-56.79	296.72	3.27	-53.52
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010769080	0	29	-1.0	-43.05	277.03	1.59	-41.46
CC(CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010769081	0	41	-1.0	-57.94	338.19	6.32	-51.62
CC(CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010769082	0	39	-1.0	-58.47	331.32	3.74	-54.73
CC(CC(=O)[O-])NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010769083	0	45	-1.0	-49.86	350.85	9.42	-40.44
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010769084	0	42	-1.0	-44.75	340.76	4.88	-39.87
COC(=O)C1=CN=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769085	0	33	-1.0	-52.47	300.86	1.73	-50.74
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010769086	0	29	-1.0	-50.00	291.40	3.81	-46.19
CC(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010769087	0	30	-1.0	-50.06	305.53	4.57	-45.49
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010769087	1	29	-2.0	-108.57	301.93	4.41	-104.16
COC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769088	0	35	-1.0	-39.21	304.93	3.27	-35.94
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769089	0	34	-1.0	-52.24	324.57	3.44	-48.80
COC1=CC(Cl)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010769090	0	36	-1.0	-53.31	323.54	2.75	-50.56
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010769091	0	32	-1.0	-52.56	296.38	2.55	-50.01
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010769092	0	31	-1.0	-50.08	295.23	3.97	-46.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010769093	0	39	-1.0	-56.42	342.76	-0.13	-56.55
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C2S1	REAL300010769094	0	40	-1.0	-42.85	363.28	5.82	-37.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010769095	0	34	-1.0	-45.34	296.47	2.36	-42.98
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010769096	0	33	-1.0	-55.20	305.53	-1.65	-56.85
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769097	0	34	-1.0	-46.74	307.28	3.53	-43.21
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769098	0	36	-1.0	-63.68	327.63	4.82	-58.86
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Br)=C1	REAL300010769099	0	32	-1.0	-42.92	291.76	2.75	-40.17
CC1=CC2=C(C=C1S(=O)(=O)NC(C)CC(=O)[O-])OCO2	REAL300010769100	0	34	-1.0	-54.78	293.35	2.51	-52.27
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010769101	0	34	-1.0	-52.14	319.28	4.10	-48.04
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769102	0	34	-1.0	-52.53	301.78	4.15	-48.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010769103	0	28	-1.0	-39.43	276.06	3.82	-35.61
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010769104	0	28	-1.0	-37.86	278.80	3.95	-33.91
COC1=CC2=C(C=C1S(=O)(=O)NC(C)CC(=O)[O-])OCC(=O)N2	REAL300010769105	0	38	-1.0	-42.92	325.83	0.26	-42.66
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010769106	0	29	-2.0	-110.69	298.02	4.02	-106.67
CC(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010769106	1	30	-1.0	-49.47	301.62	4.18	-45.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010769107	0	30	-1.0	-38.37	293.19	3.92	-34.45
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010769107	1	29	-2.0	-105.71	294.29	3.89	-101.82
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010769108	0	28	-1.0	-37.91	275.18	4.06	-33.85
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010769108	1	27	-2.0	-110.48	278.15	4.17	-106.31
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010769109	0	29	-1.0	-47.57	271.60	1.06	-46.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010769110	0	31	-1.0	-37.30	301.10	4.47	-32.83
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010769111	0	28	-1.0	-53.71	277.75	3.61	-50.10
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1OC	REAL300010769112	0	38	-1.0	-53.69	332.98	3.62	-50.07
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010769113	0	28	-1.0	-38.84	279.02	3.97	-34.87
CC(=O)NC1=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769114	0	31	-1.0	-52.85	294.49	0.33	-52.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769114	1	30	-2.0	-106.14	291.16	-0.80	-106.94
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010769115	0	31	-1.0	-41.20	291.98	4.14	-37.06
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010769116	0	32	-1.0	-46.97	299.94	0.07	-46.90
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769117	0	37	-1.0	-47.63	310.79	5.16	-42.47
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769118	0	36	-1.0	-48.40	301.98	1.48	-46.92
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010769119	0	32	-1.0	-46.88	304.50	0.17	-46.71
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010769120	0	39	-1.0	-60.50	318.34	4.25	-56.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010769121	0	32	-1.0	-38.12	305.38	3.96	-34.16
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769122	0	35	-1.0	-45.11	316.87	3.40	-41.71
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010769123	0	31	-1.0	-52.64	311.01	4.31	-48.33
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010769124	0	29	-1.0	-46.43	283.70	3.41	-43.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010769125	0	29	-1.0	-41.69	285.69	3.55	-38.14
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769126	0	34	-1.0	-37.99	298.53	4.44	-33.55
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769127	0	45	-1.0	-56.76	387.68	2.63	-54.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010769128	0	34	-1.0	-61.75	312.90	4.53	-57.22
COCCOCCOCCS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769129	0	42	-1.0	-47.90	355.41	0.13	-47.77
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769130	0	38	-1.0	-66.28	340.68	0.28	-66.00
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010769131	0	27	-2.0	-122.92	270.47	3.65	-119.27
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010769131	1	28	-1.0	-40.61	269.64	3.60	-37.01
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2CC1	REAL300010769132	0	45	-1.0	-58.03	362.68	4.83	-53.20
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010769133	0	37	-1.0	-52.04	335.80	4.37	-47.67
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1OC	REAL300010769134	0	38	-1.0	-46.30	340.84	4.64	-41.66
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769135	0	37	-1.0	-54.75	329.06	5.74	-49.01
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769136	0	37	-1.0	-41.83	319.58	5.23	-36.60
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769137	0	38	-1.0	-62.17	329.69	2.02	-60.15
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769138	0	42	-1.0	-56.28	363.27	4.33	-51.95
CC(CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010769139	0	41	-1.0	-41.70	347.71	4.37	-37.33
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010769140	0	37	-1.0	-40.86	341.65	4.85	-36.01
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010769140	1	36	-2.0	-113.48	342.78	4.83	-108.65
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010769141	0	30	-1.0	-39.11	292.79	4.52	-34.59
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010769141	1	29	-2.0	-117.14	295.69	4.64	-112.50
CC(CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010769142	0	37	-1.0	-66.41	310.58	0.20	-66.21
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769143	0	35	-2.0	-116.38	315.93	4.26	-112.12
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1OC	REAL300010769144	0	39	-1.0	-50.26	342.50	2.81	-47.45
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(F)C=C1C	REAL300010769145	0	40	-1.0	-53.33	349.13	5.12	-48.21
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769146	0	42	-1.0	-61.27	362.43	1.11	-60.16
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769147	0	39	-1.0	-59.43	335.06	2.48	-56.95
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769148	0	41	-1.0	-62.83	356.53	4.36	-58.47
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1C	REAL300010769149	0	40	-1.0	-53.98	343.58	5.02	-48.96
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769150	0	40	-1.0	-60.05	349.70	5.27	-54.78
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769151	0	34	-1.0	-41.56	317.44	5.37	-36.19
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769151	1	33	-2.0	-121.13	321.43	5.46	-115.67
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010769152	0	31	-1.0	-39.60	287.16	4.66	-34.94
CC(COC1CCCC1)CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769153	0	44	-1.0	-39.69	347.75	4.17	-35.52
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010769154	0	34	-1.0	-42.04	308.91	4.82	-37.22
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769155	0	37	-1.0	-58.85	333.77	4.58	-54.27
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010769156	0	38	-1.0	-44.87	322.90	6.19	-38.68
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769157	0	42	-1.0	-47.97	367.83	0.58	-47.39
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010769158	0	31	-1.0	-56.78	289.99	4.31	-52.47
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN1C	REAL300010769159	0	40	-1.0	-57.58	352.98	4.12	-53.46
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010769160	0	34	-1.0	-42.71	319.24	0.73	-41.98
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010769161	0	32	-1.0	-43.17	294.99	3.64	-39.53
CC1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C(Br)N1C	REAL300010769162	0	31	-1.0	-60.37	287.66	3.39	-56.98
CC1=NC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(Br)N1C	REAL300010769162	1	30	-2.0	-131.11	289.60	2.26	-128.85
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769163	0	41	-1.0	-63.18	343.03	3.75	-59.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010769164	0	31	-2.0	-99.83	296.73	2.53	-97.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010769164	1	32	-1.0	-41.05	294.82	2.11	-38.94
CC(CC(=O)[O-])NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010769165	0	45	-1.0	-54.46	391.83	3.22	-51.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010769166	0	29	-1.0	-37.83	293.01	3.77	-34.06
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010769166	1	28	-2.0	-109.09	294.08	3.75	-105.34
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769167	0	39	-1.0	-51.13	345.95	2.58	-48.55
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010769168	0	43	-1.0	-54.11	363.82	5.73	-48.38
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769169	0	40	-1.0	-51.48	352.39	2.01	-49.47
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769170	0	39	-1.0	-50.96	371.86	3.64	-47.32
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010769171	0	33	-1.0	-44.89	295.10	-0.01	-44.90
COC(=O)C1(CS(=O)(=O)NC(C)CC(=O)[O-])CCCC1	REAL300010769172	0	40	-1.0	-64.33	324.21	4.09	-60.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010769173	0	27	-1.0	-47.22	282.21	2.09	-45.13
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769174	0	35	-1.0	-40.86	320.53	3.01	-37.85
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769175	0	37	-1.0	-40.64	335.36	5.15	-35.49
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300010769176	0	34	-1.0	-40.21	303.16	4.31	-35.90
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010769177	0	39	-1.0	-41.95	354.26	6.18	-35.77
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769178	0	37	-1.0	-60.28	327.84	4.35	-55.93
CC(CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010769179	0	30	-1.0	-47.22	278.02	2.23	-44.99
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010769180	0	34	-1.0	-42.32	308.38	4.77	-37.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010769181	0	28	-1.0	-50.68	283.28	3.13	-47.55
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010769182	0	32	-1.0	-57.90	297.92	4.03	-53.87
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1I	REAL300010769183	0	31	-1.0	-53.23	296.25	4.55	-48.68
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769184	0	41	-1.0	-44.32	358.57	3.15	-41.17
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769185	0	44	-1.0	-44.24	380.43	4.07	-40.17
COC(=O)C1(CS(=O)(=O)NC(C)CC(=O)[O-])CCCCC1	REAL300010769186	0	43	-1.0	-43.02	333.24	4.30	-38.72
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN=C1C	REAL300010769187	0	36	-1.0	-43.10	315.00	2.11	-40.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010769188	0	32	-1.0	-52.43	302.95	2.82	-49.61
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769189	0	37	-1.0	-41.40	342.09	4.86	-36.54
CC(CC(=O)[O-])NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010769190	0	44	-1.0	-50.25	380.03	4.68	-45.57
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010769191	0	30	-1.0	-48.70	300.37	2.75	-45.95
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010769192	0	37	-1.0	-55.73	315.69	4.51	-51.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010769193	0	29	-1.0	-54.98	274.68	2.14	-52.84
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010769194	0	34	-1.0	-59.27	305.37	4.61	-54.66
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010769195	0	31	-1.0	-47.31	289.08	1.67	-45.64
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010769195	1	30	-2.0	-116.64	288.12	1.68	-114.96
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010769196	0	30	-1.0	-40.70	285.14	4.85	-35.85
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010769196	1	29	-2.0	-112.16	288.42	4.84	-107.32
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(F)C=C1C	REAL300010769197	0	37	-1.0	-53.38	327.33	4.17	-49.21
CC1=CC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C2N=C1Cl	REAL300010769198	0	36	-1.0	-45.68	325.12	4.15	-41.53
CC(CC(=O)[O-])NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010769199	0	38	-1.0	-44.58	326.21	3.58	-41.00
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C(C)C)=C1	REAL300010769200	0	55	-1.0	-42.63	407.36	8.71	-33.92
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010769201	0	33	-1.0	-57.65	293.55	4.50	-53.15
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769202	0	40	-1.0	-59.13	349.87	5.33	-53.80
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769203	0	33	-1.0	-59.28	291.16	2.59	-56.69
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769204	0	35	-1.0	-41.97	316.92	3.09	-38.88
COC1=CC=C2C=C(S(=O)(=O)NC(C)CC(=O)[O-])CCC2=C1	REAL300010769205	0	40	-1.0	-54.46	336.23	4.67	-49.79
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010769206	0	31	-1.0	-52.52	288.06	3.44	-49.08
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010769206	1	30	-2.0	-116.32	284.32	3.24	-113.08
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010769207	0	31	-1.0	-58.07	293.15	5.15	-52.92
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010769207	1	30	-2.0	-123.65	299.43	4.86	-118.79
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769208	0	42	-1.0	-53.44	372.37	1.16	-52.28
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769208	1	41	-2.0	-115.10	365.76	1.35	-113.75
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010769209	0	31	-1.0	-38.90	297.69	4.19	-34.71
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010769210	0	37	-1.0	-50.22	331.37	1.04	-49.18
CC1=CC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2C=C1	REAL300010769211	0	37	-1.0	-45.63	315.93	5.71	-39.92
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769212	0	37	-1.0	-40.06	328.99	4.66	-35.40
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010769213	0	43	-1.0	-51.54	370.45	3.37	-48.17
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769214	0	41	-1.0	-48.83	345.31	3.17	-45.66
CC(CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010769215	0	31	-1.0	-58.88	292.06	4.23	-54.65
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010769216	0	34	-1.0	-56.50	302.18	5.25	-51.25
CCC1=CC(CC)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(CC)=C1	REAL300010769217	0	46	-1.0	-41.90	343.53	7.38	-34.52
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C12	REAL300010769218	0	47	-1.0	-52.13	392.39	3.67	-48.46
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010769219	0	35	-1.0	-60.02	306.88	2.65	-57.37
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010769220	0	30	-1.0	-53.98	299.02	2.81	-51.17
COC1=CC(OC)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769221	0	36	-1.0	-57.20	325.44	2.61	-54.59
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010769222	0	36	-1.0	-44.96	319.89	1.32	-43.64
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010769223	0	33	-1.0	-58.45	305.08	-2.14	-60.59
CC(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010769224	0	39	-1.0	-52.95	320.17	-0.07	-53.02
COC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Cl	REAL300010769225	0	32	-1.0	-50.82	296.43	2.77	-48.05
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010769226	0	31	-1.0	-54.70	277.35	0.09	-54.61
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769227	0	41	-1.0	-44.79	343.45	3.84	-40.95
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010769228	0	37	-1.0	-43.85	319.80	5.80	-38.05
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010769229	0	32	-1.0	-54.25	296.15	3.10	-51.15
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010769230	0	32	-1.0	-53.87	306.48	3.55	-50.32
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769231	0	37	-1.0	-57.66	333.29	4.40	-53.26
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769232	0	41	-1.0	-42.78	338.37	4.74	-38.04
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010769233	0	31	-1.0	-55.87	307.99	4.81	-51.06
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010769234	0	31	-1.0	-41.44	304.12	4.60	-36.84
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010769235	0	31	-1.0	-49.07	290.45	2.01	-47.06
CCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010769236	0	36	-1.0	-56.60	313.31	4.72	-51.88
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769237	0	44	-1.0	-58.65	356.32	5.11	-53.54
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010769238	0	35	-1.0	-45.98	324.10	5.16	-40.82
COC1=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769239	0	31	-1.0	-41.52	292.00	-0.00	-41.52
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769240	0	37	-1.0	-46.51	329.14	4.46	-42.05
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769241	0	37	-1.0	-41.22	342.18	4.43	-36.79
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)=N1	REAL300010769242	0	37	-1.0	-44.26	334.93	4.25	-40.01
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1F	REAL300010769243	0	34	-1.0	-53.75	326.94	4.14	-49.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769243	1	33	-2.0	-119.79	323.26	3.97	-115.82
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769244	0	37	-1.0	-58.55	332.46	4.31	-54.24
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769245	0	34	-1.0	-41.64	303.12	4.70	-36.94
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010769246	0	43	-1.0	-50.19	365.51	0.71	-49.48
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010769247	0	35	-1.0	-46.71	313.83	0.64	-46.07
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])SC(Br)=C1	REAL300010769248	0	28	-1.0	-51.33	280.64	3.49	-47.84
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010769249	0	37	-1.0	-55.64	313.44	3.31	-52.33
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769250	0	38	-1.0	-49.31	318.22	1.66	-47.65
CC(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010769251	0	34	-1.0	-42.51	304.87	4.68	-37.83
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769252	0	32	-1.0	-39.06	302.13	3.70	-35.36
COC1=CC2=C(C=C1S(=O)(=O)NC(C)CC(=O)[O-])C(=O)NCCC2	REAL300010769253	0	43	-1.0	-67.41	355.93	1.85	-65.56
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)CC(=O)[O-])S2)C1	REAL300010769254	0	39	-1.0	-58.57	340.55	3.37	-55.20
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010769255	0	35	-1.0	-55.05	325.35	5.54	-49.51
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010769256	0	31	-1.0	-41.69	293.78	4.17	-37.52
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010769257	0	32	-1.0	-43.66	303.28	0.27	-43.39
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010769257	1	31	-2.0	-111.07	304.38	0.26	-110.81
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010769258	0	31	-1.0	-41.92	290.56	4.04	-37.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010769259	0	28	-1.0	-38.61	286.76	3.91	-34.70
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769260	0	35	-1.0	-48.01	304.62	0.22	-47.79
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769261	0	53	-1.0	-42.49	429.01	7.72	-34.77
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769262	0	43	-1.0	-46.39	358.59	5.15	-41.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010769263	0	28	-1.0	-36.00	294.25	4.43	-31.57
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010769263	1	27	-2.0	-108.95	296.52	4.50	-104.45
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769264	0	38	-1.0	-41.45	339.77	5.37	-36.08
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010769265	0	28	-1.0	-49.05	277.92	3.58	-45.47
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769266	0	34	-1.0	-52.38	310.22	3.59	-48.79
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010769267	0	42	-1.0	-45.70	356.88	5.87	-39.83
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010769268	0	42	-1.0	-53.44	368.38	6.26	-47.18
CC(CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1Br	REAL300010769269	0	27	-1.0	-58.23	262.94	1.88	-56.35
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010769269	1	26	-2.0	-124.63	260.65	1.57	-123.06
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C2)=N1	REAL300010769270	0	40	-1.0	-43.71	338.45	2.69	-41.02
COC(CS(=O)(=O)NC(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300010769271	0	38	-1.0	-42.81	328.74	3.92	-38.89
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010769272	0	40	-1.0	-45.86	332.63	4.20	-41.66
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])N(C)N=C1	REAL300010769273	0	34	-1.0	-55.90	295.35	1.79	-54.11
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Cl	REAL300010769274	0	36	-1.0	-52.41	331.90	1.76	-50.65
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)CC(=O)[O-])C=CC=C12	REAL300010769275	0	40	-1.0	-44.57	337.09	5.53	-39.04
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010769276	0	39	-1.0	-57.71	335.58	2.00	-55.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1F	REAL300010769277	0	34	-1.0	-53.87	316.61	3.69	-50.18
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769277	1	33	-2.0	-119.31	312.94	3.53	-115.78
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(Cl)C=C21	REAL300010769278	0	39	-1.0	-60.31	343.75	4.55	-55.76
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769279	0	41	-1.0	-54.79	340.92	4.57	-50.22
COC(CS(=O)(=O)NC(C)CC(=O)[O-])C1CCCCC1	REAL300010769280	0	44	-1.0	-57.18	341.13	4.05	-53.13
CCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)C	REAL300010769281	0	47	-1.0	-53.20	382.34	5.96	-47.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010769282	0	31	-1.0	-63.71	301.78	2.76	-60.95
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010769283	0	36	-1.0	-46.43	308.82	5.17	-41.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010769284	0	41	-1.0	-44.49	352.79	5.25	-39.24
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)CC(=O)[O-])O1	REAL300010769285	0	34	-1.0	-52.70	309.30	2.36	-50.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])O1	REAL300010769285	1	33	-2.0	-117.23	305.57	2.16	-115.07
CCC1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=CN1CC1CC1	REAL300010769286	0	41	-1.0	-50.62	343.96	4.52	-46.10
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769287	0	34	-1.0	-42.75	310.23	4.85	-37.90
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2C1	REAL300010769288	0	39	-1.0	-49.95	333.67	3.36	-46.59
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010769289	0	31	-1.0	-41.25	290.81	1.51	-39.74
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010769290	0	39	-1.0	-55.69	351.48	7.00	-48.69
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769291	0	31	-1.0	-36.49	287.38	4.24	-32.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010769292	0	38	-1.0	-58.40	317.84	6.40	-52.00
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010769293	0	48	-1.0	-53.35	406.26	7.81	-45.54
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769294	0	34	-1.0	-43.75	308.81	4.76	-38.99
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769295	0	35	-1.0	-59.15	318.15	3.69	-55.46
CC(CC(=O)[O-])NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010769296	0	34	-1.0	-58.81	305.34	4.57	-54.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010769297	0	27	-1.0	-52.77	262.20	1.10	-51.67
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010769297	1	26	-2.0	-118.31	270.10	1.46	-116.85
CC(C)OC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN=C1	REAL300010769298	0	37	-1.0	-50.90	315.43	1.93	-48.97
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010769299	0	34	-1.0	-64.22	292.87	1.04	-63.18
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010769300	0	35	-1.0	-46.64	324.25	2.09	-44.55
CCC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(C)C=C1OC	REAL300010769301	0	41	-1.0	-41.60	331.57	4.39	-37.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010769302	0	34	-1.0	-39.46	319.92	4.67	-34.79
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769303	0	36	-1.0	-44.94	317.40	3.84	-41.10
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769304	0	31	-1.0	-36.52	296.55	4.65	-31.87
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010769305	0	37	-1.0	-45.34	299.18	5.87	-39.47
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010769306	0	35	-1.0	-40.01	317.05	2.74	-37.27
CC1=CC2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C2NC1=O	REAL300010769307	0	37	-1.0	-55.12	321.96	2.63	-52.49
CC1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010769308	0	37	-1.0	-61.27	327.23	5.45	-55.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010769309	0	28	-1.0	-46.14	259.07	0.18	-45.96
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010769309	1	27	-2.0	-112.98	263.81	0.31	-112.67
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010769310	0	33	-1.0	-48.72	303.84	4.26	-44.46
CC(CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010769311	0	34	-1.0	-45.18	299.42	4.14	-41.04
CC(CC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010769312	0	45	0.0	-81.01	351.25	2.26	-78.75
CC(CC(=O)[O-])NS(=O)(=O)CCCN1CCN(C)CC1	REAL300010769312	1	44	-1.0	-57.55	347.18	-0.25	-57.80
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010769313	0	28	-1.0	-52.15	275.41	1.05	-51.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010769314	0	37	-1.0	-42.28	335.67	5.09	-37.19
CC(CC(=O)[O-])NS(=O)(=O)C1=C(I)N(C)N=C1	REAL300010769315	0	28	-1.0	-51.82	280.94	1.51	-50.31
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769316	0	32	-1.0	-37.39	283.97	4.01	-33.38
CC(C)OC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=N1	REAL300010769317	0	37	-1.0	-43.95	317.91	1.30	-42.65
CCCCN1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=N1	REAL300010769318	0	40	-1.0	-46.79	335.03	3.35	-43.44
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C(OC)C=C1F	REAL300010769319	0	38	-1.0	-42.53	334.33	3.70	-38.83
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769320	0	38	-1.0	-46.71	318.32	3.53	-43.18
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)C	REAL300010769321	0	44	-1.0	-53.66	360.84	5.16	-48.50
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010769322	0	40	-1.0	-52.92	329.13	5.16	-47.76
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010769323	0	31	-1.0	-56.13	293.09	4.26	-51.87
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010769324	0	47	-1.0	-57.50	375.06	7.55	-49.95
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769325	0	33	-1.0	-57.33	314.06	2.90	-54.43
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)NC=N1	REAL300010769326	0	25	-1.0	-56.37	248.83	0.76	-55.61
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010769326	1	24	-2.0	-126.65	248.59	0.73	-125.92
CC(CC(=O)[O-])NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010769327	0	36	-1.0	-47.05	315.53	3.66	-43.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010769328	0	27	-1.0	-40.41	270.80	1.86	-38.55
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010769328	1	26	-2.0	-110.14	273.17	2.00	-108.14
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769329	0	31	-1.0	-52.37	286.68	0.67	-51.70
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010769330	0	33	-1.0	-54.74	306.39	3.75	-50.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010769331	0	30	-1.0	-50.29	290.62	2.77	-47.52
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010769332	0	38	-1.0	-56.40	343.64	3.82	-52.58
CC(CC(=O)[O-])NS(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010769333	0	31	-1.0	-53.34	291.17	3.87	-49.47
CC(CC(=O)[O-])NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010769334	0	27	-1.0	-44.53	275.18	1.18	-43.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010769335	0	30	-1.0	-51.15	304.36	3.02	-48.13
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010769336	0	30	-1.0	-47.20	279.51	4.13	-43.07
CC(CC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010769337	0	39	-1.0	-44.64	332.53	-0.62	-45.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010769338	0	29	-1.0	-50.21	295.88	2.04	-48.17
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769339	0	37	-1.0	-59.33	328.02	4.41	-54.92
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010769340	0	30	-2.0	-120.97	295.72	3.92	-117.05
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010769340	1	31	-1.0	-55.39	293.86	4.63	-50.76
CC(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010769341	0	31	-1.0	-40.51	276.55	1.30	-39.21
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010769341	1	30	-2.0	-113.73	281.30	1.43	-112.30
CC(CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010769342	0	38	-1.0	-46.17	305.81	2.87	-43.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010769343	0	25	-1.0	-52.31	261.07	2.53	-49.78
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010769344	0	40	-1.0	-44.63	309.19	3.04	-41.59
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010769345	0	38	-1.0	-53.41	318.38	3.21	-50.20
CC(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010769346	0	31	-1.0	-47.66	281.96	1.93	-45.73
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769347	0	46	-1.0	-57.52	393.19	4.75	-52.77
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1Br	REAL300010769348	0	28	-1.0	-53.18	277.04	1.14	-52.04
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010769349	0	30	-1.0	-53.08	278.62	3.13	-49.95
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769350	0	35	-1.0	-45.67	305.26	2.96	-42.71
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010769351	0	42	-1.0	-54.86	356.78	4.11	-50.75
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769352	0	31	-1.0	-36.57	296.52	4.65	-31.92
CC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769353	0	33	-1.0	-55.76	295.92	3.38	-52.38
CC(CC(=O)[O-])NS(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010769354	0	37	-1.0	-60.93	316.60	1.07	-59.86
CCCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)C	REAL300010769355	0	50	-1.0	-52.69	403.84	6.74	-45.95
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010769356	0	31	-1.0	-38.99	285.39	3.69	-35.30
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010769357	0	39	-1.0	-58.59	340.49	3.65	-54.94
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010769358	0	32	-1.0	-41.73	299.67	4.62	-37.11
CCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300010769359	0	50	-1.0	-53.45	394.90	6.63	-46.82
CCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1CC	REAL300010769360	0	44	-1.0	-52.72	365.44	5.41	-47.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769361	0	34	-1.0	-39.85	290.99	4.79	-35.06
COCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010769362	0	39	-1.0	-54.32	356.29	3.07	-51.25
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769363	0	42	-1.0	-68.14	352.48	2.58	-65.56
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010769364	0	31	-1.0	-42.33	302.22	4.54	-37.79
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010769365	0	31	-1.0	-42.80	293.10	4.13	-38.67
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010769366	0	38	-1.0	-62.87	331.56	4.94	-57.93
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769367	0	34	-1.0	-56.33	310.30	4.93	-51.40
COC1=CC=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1F	REAL300010769368	0	32	-1.0	-44.11	296.10	2.99	-41.12
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1F	REAL300010769368	1	31	-2.0	-128.85	297.09	3.03	-125.82
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769369	0	38	-1.0	-40.38	322.66	5.04	-35.34
CCOC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])N(C)N=C1	REAL300010769370	0	37	-1.0	-55.87	317.22	2.72	-53.15
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010769371	0	32	-1.0	-55.48	297.74	4.56	-50.92
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010769372	0	40	-1.0	-55.45	356.59	4.56	-50.89
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769373	0	41	-1.0	-42.46	346.10	3.41	-39.05
CC(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010769374	0	37	-1.0	-46.09	309.05	3.53	-42.56
COC(=O)C1=CC=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769375	0	33	-1.0	-59.69	300.14	2.14	-57.55
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769376	0	44	-1.0	-53.62	364.96	5.61	-48.01
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C21	REAL300010769377	0	48	-1.0	-60.91	377.43	5.34	-55.57
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769378	0	35	-1.0	-55.81	308.57	3.02	-52.79
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010769379	0	42	-1.0	-43.06	344.28	2.88	-40.18
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010769380	0	43	-1.0	-71.05	361.56	5.56	-65.49
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C21	REAL300010769381	0	42	-1.0	-54.91	349.50	4.73	-50.18
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)C=C1	REAL300010769382	0	43	-1.0	-43.51	377.71	6.67	-36.84
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010769383	0	38	-1.0	-43.34	312.29	3.61	-39.73
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010769384	0	40	-1.0	-53.57	342.32	5.85	-47.72
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769385	0	41	-1.0	-63.24	356.52	4.35	-58.89
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769386	0	38	-1.0	-47.79	318.34	3.54	-44.25
CC(CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010769387	0	39	-1.0	-58.29	316.13	0.85	-57.44
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010769388	0	34	-1.0	-46.27	316.34	3.73	-42.54
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010769389	0	34	-1.0	-55.73	301.61	0.13	-55.60
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010769390	0	24	-2.0	-117.13	249.90	1.47	-115.66
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300010769390	1	25	-1.0	-55.37	247.29	2.24	-53.13
COC1=C(F)C=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769391	0	32	-1.0	-49.22	296.77	2.46	-46.76
COC1=CC(F)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1F	REAL300010769392	0	32	-1.0	-41.62	288.20	2.24	-39.38
CCCCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)C	REAL300010769393	0	53	-1.0	-52.57	425.35	7.51	-45.06
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010769394	0	44	-1.0	-41.30	346.35	4.67	-36.63
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769395	0	38	-1.0	-57.25	326.79	4.36	-52.89
CCOCCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(C)C	REAL300010769396	0	51	-1.0	-55.02	416.33	5.37	-49.65
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010769397	0	36	-1.0	-44.08	318.24	2.48	-41.60
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010769398	0	36	-1.0	-56.64	319.13	5.12	-51.52
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769399	0	32	-1.0	-45.03	284.89	3.40	-41.63
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769399	1	31	-2.0	-118.24	285.32	3.39	-114.85
CC1=C(Br)C(S(=O)(=O)NC(C)CC(=O)[O-])=C(C)S1	REAL300010769400	0	31	-1.0	-52.64	293.05	4.23	-48.41
CC1=CC(Cl)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Br)=C1	REAL300010769401	0	31	-1.0	-53.84	295.02	4.87	-48.97
COC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=N1	REAL300010769402	0	33	-1.0	-55.70	301.86	1.75	-53.95
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1Br	REAL300010769403	0	34	-1.0	-48.16	311.82	3.96	-44.20
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C21	REAL300010769404	0	45	-1.0	-60.84	358.21	4.84	-56.00
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010769405	0	34	-1.0	-45.92	300.56	3.43	-42.49
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C21	REAL300010769406	0	42	-1.0	-54.21	348.13	4.40	-49.81
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=NN1C	REAL300010769407	0	28	-1.0	-41.62	272.10	0.98	-40.64
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010769408	0	30	-1.0	-48.94	284.79	2.03	-46.91
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010769409	0	32	-1.0	-45.22	301.32	3.27	-41.95
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010769410	0	31	-1.0	-64.21	297.22	2.65	-61.56
CC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C)=C1F	REAL300010769411	0	37	-1.0	-40.40	300.00	5.00	-35.40
COC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1OC	REAL300010769412	0	36	-1.0	-48.43	304.01	2.92	-45.51
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010769413	0	37	-1.0	-51.27	317.00	0.01	-51.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010769414	0	29	-1.0	-40.41	289.23	3.68	-36.73
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010769415	0	44	-1.0	-45.40	393.21	3.78	-41.62
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010769415	1	43	-2.0	-86.74	390.23	2.20	-84.54
COC1=CC=C(F)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1OC	REAL300010769416	0	36	-1.0	-48.15	307.89	3.05	-45.10
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1	REAL300010769417	0	30	-2.0	-109.50	306.76	2.17	-107.33
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769417	1	31	-1.0	-42.37	308.54	2.27	-40.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010769418	0	25	-1.0	-51.00	270.89	3.13	-47.87
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010769419	0	41	-1.0	-54.23	340.94	3.86	-50.37
CC(CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010769420	0	32	-1.0	-42.24	297.12	4.52	-37.72
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010769421	0	30	-2.0	-99.25	280.72	3.42	-95.83
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010769422	0	32	-1.0	-44.59	287.94	2.38	-42.21
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010769423	0	32	-1.0	-47.17	301.42	3.28	-43.89
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010769424	0	31	-1.0	-59.04	279.90	2.11	-56.93
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010769424	1	30	-2.0	-127.52	277.56	1.97	-125.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010769425	0	28	-2.0	-106.29	285.81	3.06	-103.23
CC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1Br	REAL300010769426	0	34	-1.0	-38.83	299.90	4.78	-34.05
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010769427	0	34	-1.0	-50.90	320.52	4.09	-46.81
CC(CC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010769428	0	31	-1.0	-43.54	279.61	3.09	-40.45
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010769429	0	38	-1.0	-54.30	324.49	3.39	-50.91
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769430	0	46	-1.0	-40.09	355.86	6.54	-33.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010769431	0	34	-1.0	-52.15	322.10	4.77	-47.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010769432	0	38	-1.0	-48.32	323.42	3.42	-44.90
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010769433	0	39	-1.0	-41.93	345.46	6.05	-35.88
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010769434	0	41	-1.0	-50.59	338.53	1.20	-49.39
COC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010769435	0	37	-1.0	-69.33	315.56	4.13	-65.20
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769436	0	34	-1.0	-44.56	306.46	1.20	-43.36
CC(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010769437	0	32	-1.0	-37.94	305.15	4.12	-33.82
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2C=C1	REAL300010769438	0	40	-1.0	-55.22	351.56	5.81	-49.41
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010769439	0	37	-1.0	-54.73	339.91	5.51	-49.22
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300010769440	0	33	-1.0	-48.74	301.84	2.73	-46.01
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010769441	0	31	-1.0	-38.62	293.83	3.86	-34.76
CC(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010769442	0	28	-1.0	-53.07	273.10	3.42	-49.65
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010769443	0	28	-1.0	-49.71	282.62	3.04	-46.67
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769444	0	38	-1.0	-46.46	331.03	1.84	-44.62
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010769445	0	25	-1.0	-41.03	254.29	1.61	-39.42
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010769445	1	24	-2.0	-112.11	252.51	1.52	-110.59
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010769446	0	31	-1.0	-49.67	302.81	4.33	-45.34
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769447	0	39	-1.0	-50.07	333.30	4.82	-45.25
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010769448	0	39	-1.0	-44.53	315.98	5.81	-38.72
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010769449	0	38	-1.0	-57.72	331.12	4.59	-53.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010769450	0	34	-1.0	-52.24	314.71	4.00	-48.24
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010769451	0	33	-1.0	-55.71	310.52	3.46	-52.25
CC(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010769452	0	35	-1.0	-47.25	299.97	1.16	-46.09
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769453	0	38	-1.0	-41.87	345.05	3.58	-38.29
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010769454	0	28	-1.0	-52.57	285.96	4.15	-48.42
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010769455	0	28	-1.0	-41.02	261.73	2.85	-38.17
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010769456	0	31	-1.0	-39.53	276.83	4.21	-35.32
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769457	0	34	-1.0	-51.87	316.89	3.29	-48.58
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010769458	0	35	-1.0	-45.72	301.71	4.97	-40.75
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010769459	0	30	-1.0	-50.26	305.05	3.14	-47.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010769460	0	38	-1.0	-41.98	310.12	3.29	-38.69
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769461	0	37	-1.0	-50.11	320.06	0.33	-49.78
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010769462	0	31	-1.0	-53.40	303.26	-0.66	-54.06
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769463	0	37	-1.0	-50.11	320.06	0.33	-49.78
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010769464	0	31	-1.0	-43.24	269.07	4.10	-39.14
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769465	0	40	-1.0	-62.38	341.09	6.68	-55.70
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010769466	0	28	-1.0	-40.32	273.76	2.09	-38.23
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010769466	1	27	-2.0	-110.00	271.98	2.01	-107.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769467	0	32	-1.0	-39.07	287.82	3.16	-35.91
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010769468	0	42	-1.0	-44.88	339.46	1.75	-43.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010769469	0	34	-1.0	-53.26	304.11	4.43	-48.83
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010769470	0	32	-1.0	-54.14	290.14	2.49	-51.65
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010769471	0	35	-1.0	-50.88	340.24	2.83	-48.05
CC(CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010769472	0	43	-1.0	-40.91	343.66	5.79	-35.12
CC1=CC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010769473	0	39	-1.0	-49.47	319.75	5.12	-44.35
CC(CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010769474	0	36	-1.0	-38.17	303.68	3.24	-34.93
CCOCC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769475	0	38	-1.0	-55.68	327.81	3.60	-52.08
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769476	0	37	-1.0	-42.60	325.11	4.80	-37.80
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010769477	0	31	-1.0	-54.05	309.99	4.93	-49.12
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010769478	0	38	-1.0	-47.47	328.89	4.09	-43.38
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010769479	0	41	-1.0	-53.26	337.37	3.81	-49.45
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010769480	0	31	-1.0	-57.51	296.76	5.25	-52.26
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010769480	1	30	-2.0	-122.72	302.90	4.98	-117.74
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010769481	0	39	-1.0	-44.48	337.36	5.64	-38.84
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769482	0	40	-1.0	-43.45	335.43	5.66	-37.79
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC(C)=C1Br	REAL300010769483	0	34	-1.0	-51.05	308.61	4.65	-46.40
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010769484	0	33	-1.0	-53.33	310.22	4.33	-49.00
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010769484	1	32	-2.0	-122.19	310.89	4.32	-117.87
CC(CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010769485	0	34	-1.0	-44.00	322.77	4.27	-39.73
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010769485	1	33	-2.0	-116.43	325.39	4.11	-112.32
CC(CC(=O)[O-])NS(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010769486	0	40	-1.0	-57.94	333.53	0.75	-57.19
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010769487	0	32	-1.0	-55.39	301.75	4.65	-50.74
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)CC(=O)[O-])=C2	REAL300010769488	0	34	-1.0	-52.34	335.81	4.16	-48.18
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010769489	0	27	-2.0	-118.61	277.94	3.69	-114.92
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769490	0	30	-1.0	-52.57	281.24	1.70	-50.87
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769490	1	29	-2.0	-116.55	289.14	2.06	-114.49
CC(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010769491	0	33	-1.0	-62.15	308.44	4.12	-58.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010769492	0	33	-1.0	-58.87	304.81	3.93	-54.94
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769493	0	30	-1.0	-52.57	281.24	1.70	-50.87
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010769493	1	29	-2.0	-116.55	289.14	2.06	-114.49
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010769494	0	31	-1.0	-54.05	309.99	4.93	-49.12
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010769495	0	37	-1.0	-57.68	310.41	5.84	-51.84
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769496	0	32	-1.0	-44.13	299.14	3.77	-40.36
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769496	1	31	-2.0	-129.61	299.99	3.75	-125.86
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010769497	0	35	-1.0	-45.55	306.60	3.16	-42.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010769498	0	42	-1.0	-42.83	353.30	4.30	-38.53
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010769499	0	28	-1.0	-50.05	279.32	3.56	-46.49
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010769499	1	27	-2.0	-112.00	275.65	3.40	-108.60
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)CC(=O)[O-])O1	REAL300010769500	0	34	-1.0	-61.71	315.54	-0.72	-62.43
CC(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010769501	0	38	-1.0	-50.72	325.79	4.23	-46.49
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010769502	0	34	-1.0	-58.61	315.64	1.45	-57.16
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010769503	0	32	-1.0	-41.65	304.23	4.73	-36.92
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010769504	0	32	-1.0	-41.78	304.23	4.73	-37.05
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010769505	0	30	-1.0	-54.31	281.82	2.30	-52.01
CC1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010769506	0	37	-1.0	-50.42	319.23	3.35	-47.07
CC1=NC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010769506	1	36	-2.0	-133.63	324.19	1.76	-131.87
CC(CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010769507	0	45	-1.0	-41.78	323.93	5.68	-36.10
CC(CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300010769508	0	36	-1.0	-65.99	319.92	-0.16	-66.15
CCOC(=O)C1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C2C=CC=CN12	REAL300010769509	0	40	-1.0	-58.63	351.98	4.55	-54.08
CC(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010769510	0	32	-1.0	-63.13	297.43	2.06	-61.07
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)CC(=O)[O-])=C2C=C1	REAL300010769511	0	37	-1.0	-48.37	331.35	4.62	-43.75
CC(CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010769512	0	38	-1.0	-59.27	332.74	5.92	-53.35
COC(=O)C1CCCCN1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769513	0	39	-1.0	-59.58	320.30	3.76	-55.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010769514	0	50	-1.0	-44.97	378.38	6.95	-38.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010769515	0	31	-1.0	-39.87	294.16	3.61	-36.26
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769516	0	39	-1.0	-43.15	320.39	3.81	-39.34
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=NN1	REAL300010769517	0	34	-1.0	-55.33	305.02	1.55	-53.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769517	1	33	-2.0	-98.51	307.60	0.53	-97.98
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=N[N-]1	REAL300010769517	1	33	-2.0	-98.53	307.72	0.53	-98.00
COC1=CSC(S(=O)(=O)NC(C)CC(=O)[O-])=C1OC	REAL300010769518	0	33	-1.0	-46.37	296.87	0.88	-45.49
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)CC(=O)[O-])=C1	REAL300010769519	0	30	-2.0	-108.73	302.69	2.06	-106.67
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769519	1	31	-1.0	-42.18	304.46	2.17	-40.01
CC(CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010769520	0	39	-1.0	-54.76	329.11	4.88	-49.88
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769521	0	32	-1.0	-43.82	297.09	3.91	-39.91
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769521	1	31	-2.0	-116.99	299.48	3.96	-113.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010769522	0	32	-1.0	-44.50	294.95	4.06	-40.44
COC1=CC(F)=C(S(=O)(=O)NC(C)CC(=O)[O-])C(F)=C1	REAL300010769523	0	32	-1.0	-43.93	285.20	2.34	-41.59
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)CC(=O)[O-])C(F)=C1	REAL300010769523	1	31	-2.0	-123.36	286.12	2.36	-121.00
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010769524	0	32	-1.0	-55.48	296.34	2.55	-52.93
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010769525	0	31	-1.0	-45.58	273.90	4.17	-41.41
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010769526	0	37	-1.0	-41.52	327.56	3.26	-38.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010769527	0	25	-1.0	-47.98	275.81	3.03	-44.95
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010769527	1	24	-2.0	-107.75	273.20	2.89	-104.86
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769528	0	41	-1.0	-54.29	341.89	5.27	-49.02
CC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010769529	0	45	-1.0	-53.97	369.33	4.82	-49.15
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010769530	0	31	-1.0	-51.34	306.59	4.24	-47.10
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010769531	0	33	-1.0	-45.40	300.03	3.42	-41.98
CC(CC(=O)[O-])NS(=O)(=O)C1=C(I)C=CS1	REAL300010769532	0	25	-1.0	-44.17	258.51	2.83	-41.34
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010769532	1	24	-2.0	-115.17	266.63	2.83	-112.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010769533	0	39	-1.0	-56.21	341.28	5.82	-50.39
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010769534	0	34	-1.0	-44.23	282.82	4.58	-39.65
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010769535	0	33	-1.0	-41.19	303.56	1.38	-39.81
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010769536	0	29	-1.0	-55.53	282.10	1.78	-53.75
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769537	0	39	-1.0	-55.31	334.22	4.52	-50.79
CCN1C=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C2CC2)=N1	REAL300010769538	0	38	-1.0	-47.40	324.80	3.36	-44.04
CC1=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300010769539	0	32	-1.0	-43.98	287.02	2.16	-41.82
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010769540	0	34	-1.0	-52.81	313.53	5.68	-47.13
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010769541	0	38	-1.0	-43.27	339.61	6.69	-36.58
COC(=O)C1=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C(Cl)S1	REAL300010769542	0	31	-1.0	-41.50	301.37	3.79	-37.71
CCC1=CC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Br	REAL300010769543	0	34	-1.0	-50.72	309.93	4.77	-45.95
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769544	0	41	-1.0	-50.51	337.73	4.07	-46.44
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769545	0	42	-1.0	-59.35	356.55	3.26	-56.09
CC(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010769546	0	34	-1.0	-54.84	310.50	5.80	-49.04
CC(CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300010769547	0	36	-1.0	-49.88	298.78	0.54	-49.34
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010769548	0	34	-1.0	-44.87	313.53	2.60	-42.27
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769549	0	42	-1.0	-66.17	355.00	3.95	-62.22
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010769550	0	43	-1.0	-43.40	350.59	3.17	-40.23
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769551	0	31	-1.0	-52.55	282.10	0.56	-51.99
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010769552	0	27	-1.0	-52.03	278.26	0.87	-51.16
CC(CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010769553	0	38	-1.0	-57.42	308.68	1.19	-56.23
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010769554	0	31	-1.0	-63.71	301.78	2.76	-60.95
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010769555	0	25	-2.0	-119.24	261.15	0.60	-118.64
CC(CC(=O)[O-])NS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010769555	1	26	-1.0	-41.81	254.46	1.52	-40.29
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769556	0	32	-1.0	-62.96	299.17	0.96	-62.00
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010769557	0	25	-1.0	-51.00	270.89	3.13	-47.87
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769558	0	32	-1.0	-56.70	301.28	3.38	-53.32
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010769559	0	30	-1.0	-55.92	278.76	3.16	-52.76
COC1=NC=CC(S(=O)(=O)NC(C)CC(=O)[O-])=C1Cl	REAL300010769560	0	31	-1.0	-44.48	285.93	0.04	-44.44
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769561	0	37	-1.0	-52.21	331.52	1.87	-50.34
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)CC(=O)[O-])S1	REAL300010769561	1	36	-2.0	-106.89	328.22	0.74	-106.15
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769562	0	35	-1.0	-53.06	308.57	0.40	-52.66
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010769563	0	32	-1.0	-53.23	314.45	5.07	-48.16
CC(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010769564	0	33	-1.0	-38.15	298.70	4.82	-33.33
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010769565	0	26	-2.0	-123.03	269.99	1.55	-121.48
CC(CC(=O)[O-])NS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010769565	1	27	-1.0	-44.23	270.74	1.62	-42.61
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010769566	0	39	-1.0	-56.63	316.27	4.46	-52.17
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=CC=CN=C12	REAL300010769567	0	36	-1.0	-55.12	307.97	4.24	-50.88
COC(=O)C1=NC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C	REAL300010769568	0	36	-1.0	-50.39	317.70	2.28	-48.11
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010769569	0	31	-1.0	-43.72	283.22	4.69	-39.03
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010769570	0	35	-1.0	-46.84	303.78	4.00	-42.84
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010769571	0	35	-1.0	-41.75	308.58	4.99	-36.76
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=C1NCCC2	REAL300010769572	0	40	-1.0	-55.40	320.61	3.87	-51.53
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1	REAL300010769573	0	42	-1.0	-44.67	357.46	6.35	-38.32
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010769574	0	35	-1.0	-42.70	310.23	5.03	-37.67
CC(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010769575	0	25	-1.0	-52.31	261.07	2.53	-49.78
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010769576	0	32	-1.0	-45.05	296.73	3.17	-41.88
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769577	0	30	-1.0	-51.35	283.77	2.57	-48.78
CC1=CC=C(I)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769578	0	31	-1.0	-37.90	288.27	4.68	-33.22
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769579	0	37	-1.0	-43.10	313.57	4.75	-38.35
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010769580	0	39	-1.0	-46.45	332.92	6.90	-39.55
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010769581	0	31	-1.0	-55.85	289.32	3.88	-51.97
CC(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010769582	0	27	-1.0	-49.28	267.22	1.68	-47.60
CC(CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010769583	0	30	-1.0	-59.72	274.47	2.42	-57.30
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010769583	1	29	-2.0	-127.16	273.40	2.08	-125.08
CC(CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300010769584	0	31	-1.0	-52.44	281.30	2.74	-49.70
CC(CC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010769585	0	36	-1.0	-47.53	298.57	-1.22	-48.75
CC1=NC(S(=O)(=O)NC(C)CC(=O)[O-])=CC=C1Br	REAL300010769586	0	30	-1.0	-53.93	277.66	3.21	-50.72
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010769587	0	26	-2.0	-112.94	276.19	2.20	-110.74
CC(CC(=O)[O-])NS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010769587	1	27	-1.0	-52.52	279.72	2.37	-50.15
CC(CC(=O)[O-])NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010769588	0	32	-1.0	-62.30	299.63	2.21	-60.09
CC(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010769589	0	32	-1.0	-41.90	299.66	4.62	-37.28
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010769590	0	37	-1.0	-48.33	328.83	2.38	-45.95
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010769591	0	35	-1.0	-40.54	301.69	5.03	-35.51
COC1=CC=C(I)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769592	0	32	-1.0	-39.90	296.15	3.23	-36.67
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010769593	0	31	-1.0	-52.58	298.66	4.56	-48.02
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010769594	0	32	-1.0	-40.87	298.50	2.66	-38.21
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2)C=C1	REAL300010769595	0	51	-1.0	-44.44	420.18	8.01	-36.43
COC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C(C(F)F)=C1	REAL300010769596	0	35	-1.0	-43.59	294.52	3.35	-40.24
CCOC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010769597	0	41	-1.0	-54.85	354.84	4.53	-50.32
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2C1	REAL300010769598	0	41	-1.0	-44.25	348.10	5.32	-38.93
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769599	0	34	-1.0	-52.13	304.25	1.02	-51.11
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769600	0	34	-1.0	-39.85	311.42	4.81	-35.04
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769600	1	33	-2.0	-115.35	311.26	4.94	-110.41
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769601	0	33	-1.0	-59.20	291.26	2.60	-56.60
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)CC(=O)[O-]	REAL300010769602	0	34	-1.0	-48.34	298.76	4.30	-44.04
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)CC(=O)[O-]	REAL300010769602	1	33	-2.0	-135.74	298.61	4.48	-131.26
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1I	REAL300010769603	0	28	-1.0	-39.83	266.98	3.95	-35.88
COC1=CC=C(I)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769604	0	32	-1.0	-39.90	296.15	3.23	-36.67
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C=C2C=C1	REAL300010769605	0	39	-1.0	-46.08	345.25	3.77	-42.31
CC1=CC=C(S(=O)(=O)NC(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010769606	0	36	-1.0	-50.05	304.52	4.01	-46.04
CC(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010769607	0	23	-2.0	-108.72	252.06	1.20	-107.52
CC(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=NS1	REAL300010769607	1	24	-1.0	-48.52	254.66	1.36	-47.16
CC(CC(=O)[O-])NS(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010769608	0	30	-1.0	-41.32	285.10	1.27	-40.05
CC(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010769609	0	35	-1.0	-45.04	319.02	3.66	-41.38
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)CC(=O)[O-])=C1	REAL300010769610	0	41	-1.0	-58.79	341.14	4.95	-53.84
CC(CC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010769611	0	32	-2.0	-104.36	295.36	2.78	-101.58
CC(CC(=O)[O-])NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010769611	1	33	-1.0	-43.77	296.66	2.00	-41.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1Cl	REAL300010769612	0	31	-1.0	-57.63	286.05	2.06	-55.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010769613	0	32	-1.0	-46.72	306.12	4.26	-42.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010769614	0	32	-1.0	-46.74	287.19	4.41	-42.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300010769615	0	44	-1.0	-47.53	336.65	5.99	-41.54
COCCN(CC(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300010769616	0	41	-1.0	-51.68	349.82	4.14	-47.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(=O)OC	REAL300010769617	0	38	-1.0	-70.23	328.98	5.37	-64.86
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769618	0	41	-1.0	-52.95	350.74	5.34	-47.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010769619	0	32	-1.0	-56.25	311.84	4.71	-51.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300010769620	0	38	-1.0	-43.60	340.32	4.38	-39.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300010769621	0	44	-1.0	-54.19	350.37	6.08	-48.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300010769622	0	41	-1.0	-47.08	345.04	5.58	-41.50
CCC(C)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769623	0	44	-1.0	-47.20	363.49	6.24	-40.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010769624	0	43	-1.0	-55.39	369.76	1.75	-53.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010769625	0	36	-1.0	-45.16	320.56	0.47	-44.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)C=C1	REAL300010769626	0	42	-1.0	-57.47	356.36	2.76	-54.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010769627	0	34	-1.0	-42.27	312.81	5.04	-37.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010769628	0	32	-1.0	-57.83	301.67	4.72	-53.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300010769629	0	29	-1.0	-41.30	293.94	3.27	-38.03
CCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769630	0	41	-1.0	-54.56	338.56	5.97	-48.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC	REAL300010769631	0	36	-1.0	-47.07	303.03	4.63	-42.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010769632	0	32	-1.0	-41.36	311.17	4.57	-36.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300010769633	0	36	-1.0	-48.68	334.72	3.61	-45.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC	REAL300010769634	0	43	-1.0	-72.06	364.95	2.43	-69.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010769635	0	32	-1.0	-56.29	299.02	3.69	-52.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010769636	0	32	-1.0	-41.58	317.73	5.49	-36.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Cl	REAL300010769637	0	32	-1.0	-47.42	284.72	4.38	-43.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1	REAL300010769638	0	44	-1.0	-57.58	388.55	5.57	-52.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC	REAL300010769639	0	44	-1.0	-68.06	385.73	5.88	-62.18
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010769640	0	32	-1.0	-61.33	291.21	3.83	-57.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010769641	0	31	-1.0	-52.53	295.68	2.21	-50.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010769642	0	32	-1.0	-42.72	302.44	4.07	-38.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010769643	0	35	-1.0	-46.86	316.31	6.03	-40.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300010769644	0	35	-1.0	-44.16	324.31	4.83	-39.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1	REAL300010769645	0	43	-1.0	-59.00	368.60	1.97	-57.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010769646	0	36	-1.0	-50.07	320.12	3.56	-46.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300010769647	0	47	-1.0	-56.08	348.20	6.20	-49.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010769648	0	41	-1.0	-48.90	347.61	3.58	-45.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300010769649	0	37	-1.0	-53.82	329.02	4.83	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010769650	0	29	-1.0	-41.41	298.57	3.37	-38.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=CC(C)=C1Cl	REAL300010769651	0	38	-1.0	-52.86	336.69	5.83	-47.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300010769652	0	36	-1.0	-57.57	329.91	4.17	-53.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300010769653	0	50	-1.0	-47.08	382.68	7.32	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010769654	0	48	-1.0	-46.81	386.66	7.45	-39.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010769655	0	35	-1.0	-43.07	323.56	4.65	-38.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010769656	0	42	-1.0	-55.99	346.50	6.07	-49.92
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769657	0	38	-1.0	-54.63	317.06	5.19	-49.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300010769658	0	40	-1.0	-60.83	338.08	2.84	-57.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300010769659	0	40	-1.0	-49.97	343.53	2.84	-47.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010769660	0	42	-1.0	-55.64	371.35	3.35	-52.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010769661	0	39	-1.0	-56.75	329.33	5.49	-51.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)S1	REAL300010769662	0	39	-1.0	-47.87	359.58	1.81	-46.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010769663	0	40	-1.0	-56.25	334.11	5.86	-50.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010769664	0	32	-1.0	-56.11	292.81	3.65	-52.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(NC(C)=O)=CC=C1C	REAL300010769665	0	42	-1.0	-66.96	347.76	2.86	-64.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010769666	0	29	-1.0	-40.25	301.37	3.60	-36.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300010769667	0	47	-1.0	-54.44	377.61	7.25	-47.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010769668	0	38	-1.0	-62.00	324.86	5.99	-56.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010769669	0	42	-1.0	-53.97	357.34	6.90	-47.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010769670	0	35	-1.0	-42.83	323.32	5.36	-37.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300010769671	0	35	-1.0	-53.54	298.50	4.11	-49.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010769672	0	32	-1.0	-41.68	321.10	5.32	-36.36
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769673	0	47	-1.0	-47.21	375.24	6.44	-40.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300010769674	0	35	-1.0	-43.75	320.27	4.75	-39.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010769675	0	32	-1.0	-39.74	303.25	4.66	-35.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1F	REAL300010769676	0	35	-1.0	-51.23	302.37	4.80	-46.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010769677	0	32	-1.0	-51.33	313.44	4.24	-47.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010769678	0	35	-1.0	-55.55	325.15	4.58	-50.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010769679	0	32	-1.0	-40.87	312.70	4.22	-36.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010769680	0	32	-1.0	-40.96	298.39	3.67	-37.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010769681	0	33	-1.0	-47.07	298.78	2.47	-44.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300010769682	0	35	-1.0	-44.16	311.52	4.34	-39.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010769683	0	35	-1.0	-45.29	329.13	4.70	-40.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010769684	0	37	-1.0	-54.85	319.65	4.72	-50.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010769685	0	35	-1.0	-46.72	305.95	5.58	-41.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010769686	0	43	-1.0	-50.74	390.31	7.03	-43.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010769687	0	32	-1.0	-59.39	302.60	4.08	-55.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010769688	0	32	-1.0	-40.87	298.99	4.11	-36.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300010769689	0	38	-1.0	-41.98	331.11	5.28	-36.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1F	REAL300010769690	0	35	-1.0	-59.64	307.82	4.24	-55.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300010769691	0	36	-1.0	-50.23	320.51	3.01	-47.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300010769692	0	35	-1.0	-43.58	311.54	4.35	-39.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010769693	0	32	-1.0	-43.94	299.44	3.98	-39.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010769694	0	32	-1.0	-45.16	311.81	4.31	-40.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300010769695	0	47	-1.0	-47.50	403.00	5.78	-41.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(Cl)=C1	REAL300010769696	0	39	-1.0	-49.95	354.70	3.15	-46.80
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300010769697	0	43	-1.0	-54.72	334.19	3.86	-50.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300010769698	0	48	-1.0	-59.45	393.33	6.91	-52.54
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010769699	0	36	-1.0	-45.11	327.46	4.73	-40.38
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1	REAL300010769700	0	38	-1.0	-57.60	328.77	5.10	-52.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300010769701	0	35	-1.0	-47.00	323.05	5.41	-41.59
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010769702	0	35	-1.0	-41.79	338.49	5.32	-36.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300010769703	0	42	-1.0	-60.16	353.18	5.34	-54.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300010769704	0	39	-1.0	-45.51	335.41	1.09	-44.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(N)=O)=C1	REAL300010769705	0	40	-1.0	-49.51	346.61	1.02	-48.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300010769706	0	37	-1.0	-40.74	316.91	5.26	-35.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1F	REAL300010769707	0	39	-1.0	-55.68	341.74	2.44	-53.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300010769708	0	37	-1.0	-54.90	322.58	4.91	-49.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300010769709	0	32	-1.0	-59.42	302.65	3.26	-56.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300010769710	0	35	-1.0	-55.32	311.61	4.32	-51.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1	REAL300010769711	0	38	-1.0	-55.88	355.28	4.74	-51.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010769712	0	31	-1.0	-53.93	304.05	2.35	-51.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010769713	0	41	-1.0	-67.88	359.19	1.95	-65.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300010769714	0	39	-1.0	-48.81	346.83	2.65	-46.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C(C)=O)C2=C1	REAL300010769715	0	46	-1.0	-58.19	376.44	5.22	-52.97
COCCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300010769716	0	37	-1.0	-52.44	331.80	-0.33	-52.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300010769717	0	42	-1.0	-54.92	337.80	3.98	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010769718	0	32	-1.0	-52.18	296.91	3.82	-48.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010769719	0	43	-1.0	-45.27	368.12	3.14	-42.13
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010769720	0	35	-1.0	-43.61	327.88	4.98	-38.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010769721	0	32	-1.0	-44.29	320.93	4.72	-39.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)C=C1	REAL300010769722	0	45	-1.0	-63.60	377.86	3.53	-60.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CNC(C)=O)=CC=C1OC	REAL300010769723	0	46	-1.0	-65.12	390.82	2.55	-62.57
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769724	0	40	-1.0	-55.90	344.67	5.96	-49.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300010769725	0	44	-1.0	-46.79	366.01	6.33	-40.46
COCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769726	0	42	-1.0	-54.54	350.73	4.26	-50.28
COCCN(CCOC)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769727	0	44	-1.0	-52.72	351.76	1.08	-51.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300010769728	0	35	-1.0	-53.25	308.72	4.55	-48.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300010769729	0	48	-1.0	-53.52	386.04	6.09	-47.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010769730	0	46	-1.0	-47.16	379.46	5.87	-41.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300010769731	0	45	-1.0	-53.68	367.08	5.49	-48.19
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769732	0	42	-1.0	-53.75	346.98	4.79	-48.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300010769733	0	36	-1.0	-48.70	330.30	3.49	-45.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010769734	0	36	-1.0	-46.53	340.08	3.78	-42.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300010769735	0	39	-1.0	-46.95	334.38	3.68	-43.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300010769736	0	45	-1.0	-47.04	374.16	5.23	-41.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300010769737	0	39	-1.0	-45.71	318.13	3.91	-41.80
COCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769738	0	43	-1.0	-56.49	359.11	3.26	-53.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300010769739	0	35	-1.0	-59.44	312.58	4.36	-55.08
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010769740	0	43	-1.0	-60.27	375.55	3.30	-56.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010769741	0	47	-1.0	-55.61	388.45	3.04	-52.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Br	REAL300010769742	0	35	-1.0	-46.74	308.66	5.27	-41.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010769743	0	38	-1.0	-64.66	351.37	1.40	-63.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)OC	REAL300010769744	0	38	-1.0	-64.40	347.50	5.75	-58.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010769745	0	37	-1.0	-55.87	324.72	3.97	-51.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1OC	REAL300010769746	0	36	-1.0	-58.34	320.11	4.05	-54.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300010769747	0	36	-1.0	-41.71	309.40	5.01	-36.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010769748	0	33	-1.0	-46.51	301.72	4.52	-41.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010769749	0	36	-1.0	-46.83	326.77	4.98	-41.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)OC)=C1	REAL300010769750	0	42	-1.0	-52.18	366.88	4.35	-47.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C)=C1	REAL300010769751	0	41	-1.0	-47.46	355.60	4.84	-42.62
COCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC(=O)OC	REAL300010769752	0	39	-1.0	-46.76	336.99	2.39	-44.37
COCCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300010769753	0	42	-1.0	-61.20	350.21	-1.01	-62.21
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300010769754	0	41	-1.0	-44.12	330.71	1.66	-42.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010769755	0	41	-1.0	-60.25	353.47	3.71	-56.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300010769756	0	41	-1.0	-53.91	351.06	4.83	-49.08
CCN1N=C(C)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1C	REAL300010769757	0	41	-1.0	-54.17	340.81	3.44	-50.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300010769758	0	38	-1.0	-54.14	329.12	2.66	-51.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300010769759	0	41	-1.0	-49.03	349.59	4.88	-44.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300010769760	0	38	-1.0	-56.14	330.86	4.03	-52.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300010769761	0	38	-1.0	-53.01	326.48	2.38	-50.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010769762	0	44	-1.0	-57.60	338.45	6.39	-51.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010769763	0	40	-1.0	-69.03	350.24	3.00	-66.03
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1	REAL300010769764	0	38	-1.0	-57.60	328.77	5.10	-52.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010769765	0	39	-1.0	-55.18	342.15	4.97	-50.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1F	REAL300010769766	0	38	-1.0	-59.85	348.68	4.30	-55.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1Cl	REAL300010769767	0	36	-1.0	-56.10	340.91	4.07	-52.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=C(Cl)C=C2)N=C1	REAL300010769768	0	42	-1.0	-54.73	380.32	5.68	-49.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(Br)=C1	REAL300010769769	0	32	-1.0	-42.98	307.49	3.88	-39.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)OC)=C1	REAL300010769770	0	36	-1.0	-54.90	328.56	1.99	-52.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010769771	0	33	-1.0	-44.39	321.01	4.45	-39.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300010769772	0	40	-1.0	-62.05	324.15	6.14	-55.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1Cl	REAL300010769773	0	38	-1.0	-58.10	345.37	4.54	-53.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300010769774	0	41	-1.0	-63.49	352.76	1.55	-61.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F	REAL300010769775	0	36	-1.0	-47.07	320.14	5.90	-41.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010769776	0	33	-1.0	-39.93	321.05	4.44	-35.49
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769777	0	48	-1.0	-54.32	396.19	5.30	-49.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010769778	0	43	-1.0	-60.76	372.86	3.61	-57.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010769779	0	44	-1.0	-51.29	393.84	1.50	-49.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769780	0	40	-1.0	-56.13	350.78	-0.07	-56.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNC(C)=O)S1	REAL300010769781	0	42	-1.0	-51.81	381.08	2.58	-49.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)O1	REAL300010769782	0	35	-1.0	-44.16	324.57	2.45	-41.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)O1	REAL300010769783	0	38	-1.0	-53.46	342.16	3.07	-50.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300010769784	0	34	-1.0	-46.56	307.23	2.12	-44.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010769785	0	34	-1.0	-67.80	307.23	5.23	-62.57
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010769786	0	35	-1.0	-41.83	339.53	6.28	-35.55
CCOC(=O)C1=C(C)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C(C)N1	REAL300010769787	0	45	-1.0	-54.05	377.08	4.19	-49.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010769788	0	32	-1.0	-59.96	299.69	4.42	-55.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300010769789	0	38	-1.0	-55.46	363.68	4.16	-51.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010769790	0	52	-1.0	-47.33	419.37	7.25	-40.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010769791	0	42	-1.0	-55.77	382.05	3.21	-52.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(I)=C1	REAL300010769792	0	32	-1.0	-46.03	312.61	4.74	-41.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C	REAL300010769793	0	41	-1.0	-58.16	346.99	4.69	-53.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010769794	0	34	-1.0	-45.01	313.71	5.50	-39.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1F	REAL300010769795	0	40	-1.0	-57.05	345.13	2.78	-54.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300010769796	0	43	-1.0	-55.09	350.87	3.23	-51.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010769797	0	34	-1.0	-53.98	323.15	5.70	-48.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010769798	0	35	-1.0	-48.81	324.39	4.54	-44.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010769799	0	33	-1.0	-47.26	294.45	4.04	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010769800	0	33	-1.0	-47.37	304.79	4.49	-42.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300010769801	0	35	-1.0	-43.82	324.31	4.84	-38.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300010769802	0	35	-1.0	-54.89	305.28	4.44	-50.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(=O)OC)N=C1	REAL300010769803	0	38	-1.0	-64.74	343.69	2.34	-62.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010769804	0	38	-1.0	-43.56	322.69	6.49	-37.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010769805	0	37	-1.0	-44.32	327.81	6.18	-38.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)S1	REAL300010769806	0	32	-1.0	-44.24	317.86	4.81	-39.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010769807	0	36	-1.0	-62.19	316.42	4.92	-57.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(C(=O)OC)=C1	REAL300010769808	0	38	-1.0	-50.48	349.38	4.33	-46.15
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010769809	0	50	-1.0	-44.62	370.91	6.13	-38.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300010769810	0	40	-1.0	-55.65	339.96	5.25	-50.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010769811	0	43	-1.0	-56.53	361.49	2.11	-54.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1Br	REAL300010769812	0	35	-1.0	-57.97	318.63	4.94	-53.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(=O)OC	REAL300010769813	0	38	-1.0	-62.42	342.74	4.60	-57.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010769814	0	40	-1.0	-48.61	343.22	1.40	-47.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300010769815	0	38	-1.0	-45.06	340.34	4.38	-40.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300010769816	0	38	-1.0	-47.20	335.53	5.90	-41.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300010769817	0	39	-1.0	-55.80	338.79	1.90	-53.90
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C2=CC=CC=C12	REAL300010769818	0	45	-1.0	-59.70	375.03	6.26	-53.44
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769819	0	42	-1.0	-61.43	351.74	5.13	-56.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010769820	0	37	-1.0	-63.41	332.06	3.75	-59.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010769821	0	39	-1.0	-56.77	344.90	4.69	-52.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010769822	0	34	-1.0	-49.57	329.23	4.77	-44.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010769823	0	33	-1.0	-66.67	300.72	3.74	-62.93
CCOCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769824	0	46	-1.0	-56.53	380.97	4.23	-52.30
CCCCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769825	0	48	-1.0	-53.58	389.98	6.35	-47.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010769826	0	34	-1.0	-66.11	314.61	5.77	-60.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)OC)=C1	REAL300010769827	0	38	-1.0	-43.99	344.16	4.31	-39.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OC	REAL300010769828	0	42	-1.0	-62.03	363.27	4.20	-57.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CS1	REAL300010769829	0	35	-1.0	-51.45	332.98	3.32	-48.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1C	REAL300010769830	0	44	-1.0	-50.97	362.70	5.24	-45.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC)=C1	REAL300010769831	0	41	-1.0	-45.12	355.64	4.82	-40.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1F	REAL300010769832	0	38	-1.0	-59.61	341.13	4.22	-55.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010769833	0	42	-1.0	-58.44	340.32	6.23	-52.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010769834	0	38	-1.0	-58.06	331.94	5.41	-52.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010769835	0	31	-1.0	-50.74	300.15	2.39	-48.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010769836	0	36	-1.0	-50.33	330.51	5.23	-45.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010769837	0	32	-1.0	-44.42	311.82	4.30	-40.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010769838	0	39	-1.0	-67.15	349.46	1.51	-65.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300010769839	0	35	-1.0	-54.75	317.93	4.94	-49.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300010769840	0	36	-1.0	-44.37	334.74	3.62	-40.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010769841	0	43	-1.0	-48.68	362.27	4.90	-43.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010769842	0	40	-1.0	-47.21	363.75	0.41	-46.80
CCC(=O)NCC1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C1OC	REAL300010769843	0	49	-1.0	-49.64	415.72	2.80	-46.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Br	REAL300010769844	0	36	-1.0	-55.14	319.99	3.05	-52.09
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010769845	0	41	-1.0	-60.88	366.97	2.05	-58.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010769846	0	34	-1.0	-44.30	333.07	3.55	-40.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300010769847	0	37	-1.0	-62.90	331.06	4.28	-58.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010769848	0	33	-1.0	-51.38	325.91	4.58	-46.80
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1Br	REAL300010769849	0	39	-1.0	-48.55	356.59	4.53	-44.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010769850	0	37	-1.0	-51.63	334.48	-0.96	-52.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300010769851	0	46	-1.0	-52.85	384.60	5.63	-47.22
COCCN(CC(=O)[O-])S(=O)(=O)CC1(CC(=O)OC)CC1	REAL300010769852	0	41	-1.0	-51.68	349.82	4.14	-47.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C(=O)OC	REAL300010769853	0	37	-1.0	-45.03	335.93	3.52	-41.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010769854	0	37	-1.0	-54.29	309.92	3.05	-51.24
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010769855	0	40	-1.0	-58.14	346.47	4.89	-53.25
COCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010769856	0	38	-1.0	-66.57	323.47	-0.06	-66.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010769857	0	42	-1.0	-47.00	365.05	4.57	-42.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010769858	0	37	-1.0	-60.86	332.05	3.76	-57.10
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C)=C1	REAL300010769859	0	42	-1.0	-46.32	342.12	4.29	-42.03
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010769860	0	40	-1.0	-57.76	361.42	-0.19	-57.95
COCCN(CC(=O)[O-])S(=O)(=O)CCS(C)(=O)=O	REAL300010769861	0	34	-1.0	-57.01	310.30	-1.12	-58.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C(=O)OC	REAL300010769862	0	41	-1.0	-64.33	355.61	5.39	-58.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010769863	0	36	-1.0	-49.83	317.67	3.79	-46.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300010769864	0	36	-1.0	-54.00	314.32	4.79	-49.21
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769865	0	44	-1.0	-52.71	372.24	6.14	-46.57
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010769866	0	38	-1.0	-43.86	345.64	5.37	-38.49
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769867	0	43	-1.0	-57.82	351.48	5.24	-52.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010769868	0	31	-1.0	-42.41	301.89	2.52	-39.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010769869	0	38	-1.0	-50.53	322.69	3.30	-47.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010769870	0	37	-1.0	-47.02	307.49	4.10	-42.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300010769871	0	35	-1.0	-53.11	313.28	4.65	-48.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010769872	0	40	-1.0	-57.50	343.60	2.77	-54.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1	REAL300010769873	0	48	-1.0	-60.33	388.99	4.70	-55.63
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1OCC	REAL300010769874	0	46	-1.0	-47.49	387.24	4.69	-42.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010769875	0	38	-1.0	-61.73	322.16	2.82	-58.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300010769876	0	38	-1.0	-50.87	316.71	3.35	-47.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010769877	0	37	-1.0	-56.68	328.34	-1.28	-57.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010769878	0	43	-1.0	-51.47	362.58	4.75	-46.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCCN2C(C)=O	REAL300010769879	0	46	-1.0	-61.47	375.33	5.15	-56.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300010769880	0	40	-1.0	-46.97	336.18	5.25	-41.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1	REAL300010769881	0	38	-1.0	-53.43	328.88	4.42	-49.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300010769882	0	43	-1.0	-60.97	363.05	4.64	-56.33
CNC(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769883	0	39	-1.0	-58.04	330.53	2.04	-56.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010769884	0	36	-1.0	-58.16	308.62	0.54	-57.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC(C)N2C(C)=O	REAL300010769885	0	46	-1.0	-60.40	378.36	5.17	-55.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1	REAL300010769886	0	35	-1.0	-51.01	313.18	4.18	-46.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)S1	REAL300010769887	0	35	-1.0	-44.53	332.82	3.40	-41.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010769888	0	36	-1.0	-45.50	341.47	4.83	-40.67
CCOC(=O)C1=CNN=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769889	0	38	-1.0	-55.65	336.74	2.28	-53.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010769890	0	38	-1.0	-45.64	341.37	0.63	-45.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010769891	0	38	-1.0	-47.68	335.53	0.86	-46.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010769892	0	38	-1.0	-56.36	347.35	1.48	-54.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300010769893	0	40	-1.0	-67.42	341.73	5.39	-62.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300010769894	0	38	-1.0	-48.29	326.15	4.26	-44.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300010769895	0	36	-1.0	-43.47	319.63	5.14	-38.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010769896	0	36	-1.0	-46.02	319.73	4.89	-41.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010769897	0	37	-1.0	-56.97	339.05	-1.41	-58.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1	REAL300010769898	0	38	-1.0	-55.08	339.59	4.29	-50.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010769899	0	44	-1.0	-47.18	392.32	1.44	-45.74
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010769900	0	37	-1.0	-43.18	334.80	5.03	-38.15
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010769901	0	35	-1.0	-43.69	313.00	4.42	-39.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300010769902	0	35	-1.0	-47.49	306.00	5.03	-42.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010769903	0	38	-1.0	-62.57	339.26	-0.03	-62.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010769904	0	38	-1.0	-58.99	334.86	1.28	-57.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010769905	0	39	-1.0	-56.42	349.39	2.85	-53.57
COCCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300010769906	0	40	-1.0	-57.21	349.24	5.07	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C	REAL300010769907	0	35	-1.0	-41.71	295.06	4.68	-37.03
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010769908	0	41	-1.0	-53.51	338.36	4.76	-48.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010769909	0	40	-1.0	-48.33	328.18	4.40	-43.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010769910	0	38	-1.0	-59.98	337.89	3.55	-56.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010769911	0	37	-1.0	-56.97	331.59	5.08	-51.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300010769912	0	40	-1.0	-68.48	337.99	6.42	-62.06
CCOC(=O)C1CCCN(S(=O)(=O)N(CCOC)CC(=O)[O-])C1	REAL300010769913	0	46	-1.0	-55.36	372.93	4.05	-51.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010769914	0	36	-1.0	-46.65	330.79	3.43	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300010769915	0	43	-1.0	-62.28	380.11	1.55	-60.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010769916	0	32	-1.0	-41.18	296.28	4.02	-37.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010769917	0	34	-1.0	-63.73	320.79	5.76	-57.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010769918	0	44	-1.0	-67.24	370.27	2.91	-64.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010769919	0	42	-1.0	-60.44	350.96	7.50	-52.94
COCCN(CC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300010769920	0	43	-1.0	-54.41	332.97	4.73	-49.68
CCOC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010769921	0	41	-1.0	-55.05	361.45	5.22	-49.83
CCOC(=O)N1CCC(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1	REAL300010769922	0	46	-1.0	-44.74	370.72	3.38	-41.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010769923	0	32	-1.0	-51.09	290.88	4.27	-46.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010769924	0	32	-1.0	-50.87	295.45	4.37	-46.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010769925	0	34	-1.0	-42.80	313.02	4.32	-38.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010769926	0	38	-1.0	-56.91	329.69	5.86	-51.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010769927	0	39	-1.0	-61.51	330.23	2.66	-58.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300010769928	0	37	-1.0	-54.18	320.27	4.70	-49.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1	REAL300010769929	0	36	-1.0	-54.42	303.63	3.06	-51.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010769930	0	34	-1.0	-51.61	296.70	4.95	-46.66
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769931	0	39	-1.0	-58.43	351.60	5.08	-53.35
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010769932	0	39	-1.0	-54.13	325.48	3.99	-50.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010769933	0	32	-1.0	-42.49	292.10	3.62	-38.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010769934	0	32	-1.0	-41.84	297.09	4.62	-37.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010769935	0	38	-1.0	-51.40	329.30	2.79	-48.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300010769936	0	41	-1.0	-46.79	327.89	5.67	-41.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300010769937	0	47	-1.0	-55.88	362.71	7.13	-48.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010769938	0	32	-1.0	-44.35	316.73	4.61	-39.74
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010769939	0	32	-1.0	-45.64	297.50	3.76	-41.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010769940	0	32	-1.0	-54.23	307.39	4.39	-49.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010769941	0	35	-1.0	-47.84	323.87	4.67	-43.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010769942	0	35	-1.0	-52.06	299.77	5.54	-46.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010769943	0	35	-1.0	-45.14	336.73	5.06	-40.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010769944	0	32	-1.0	-46.88	301.56	4.16	-42.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010769945	0	35	-1.0	-53.94	329.50	4.90	-49.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300010769946	0	37	-1.0	-57.26	315.34	4.18	-53.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1C	REAL300010769947	0	38	-1.0	-47.50	317.86	5.56	-41.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300010769948	0	38	-1.0	-48.06	323.24	4.85	-43.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010769949	0	32	-1.0	-44.51	307.39	4.20	-40.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300010769950	0	37	-1.0	-58.75	326.08	4.04	-54.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1C	REAL300010769951	0	38	-1.0	-45.42	310.09	5.27	-40.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300010769952	0	41	-1.0	-57.79	360.15	2.65	-55.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010769953	0	31	-1.0	-42.18	311.91	2.72	-39.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010769954	0	35	-1.0	-57.78	313.98	4.00	-53.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1Cl	REAL300010769955	0	36	-1.0	-57.33	320.14	3.18	-54.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC2=CC=CC=C21	REAL300010769956	0	41	-1.0	-49.76	366.75	6.24	-43.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C=C1	REAL300010769957	0	41	-1.0	-60.52	351.12	5.19	-55.33
COCCN(CC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010769958	0	39	-1.0	-57.05	323.67	5.28	-51.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300010769959	0	42	-1.0	-48.40	366.48	6.27	-42.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300010769960	0	43	-1.0	-57.74	363.96	4.69	-53.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010769961	0	33	-1.0	-65.17	310.21	4.11	-61.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300010769962	0	36	-1.0	-55.42	313.03	4.43	-50.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C(=O)N(C)C)=C1	REAL300010769963	0	46	-1.0	-45.73	382.44	3.04	-42.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300010769964	0	40	-1.0	-44.31	358.58	4.76	-39.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300010769965	0	37	-1.0	-42.81	329.01	4.83	-37.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CO1	REAL300010769966	0	35	-1.0	-55.67	318.71	3.35	-52.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300010769967	0	43	-1.0	-55.90	364.93	4.43	-51.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010769968	0	34	-1.0	-54.70	315.82	3.06	-51.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300010769969	0	42	-1.0	-59.62	341.77	4.03	-55.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300010769970	0	33	-1.0	-49.55	305.29	2.69	-46.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300010769971	0	42	-1.0	-54.99	359.39	3.45	-51.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010769972	0	44	-1.0	-52.13	359.02	4.18	-47.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300010769973	0	34	-1.0	-46.80	315.47	2.86	-43.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010769974	0	38	-1.0	-56.88	335.15	2.65	-54.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010769975	0	41	-1.0	-45.84	357.95	5.30	-40.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300010769976	0	36	-1.0	-66.75	313.87	4.20	-62.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300010769977	0	40	-1.0	-50.54	343.25	3.09	-47.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010769978	0	38	-1.0	-59.34	333.02	4.98	-54.36
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1CC	REAL300010769979	0	44	-1.0	-48.74	361.87	6.21	-42.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300010769980	0	40	-1.0	-42.64	334.67	5.67	-36.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(=O)OC)=C1	REAL300010769981	0	38	-1.0	-49.50	336.71	3.01	-46.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010769982	0	33	-1.0	-51.22	306.04	1.47	-49.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C(=O)OC	REAL300010769983	0	34	-1.0	-62.93	315.96	2.30	-60.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300010769984	0	38	-1.0	-44.18	331.29	5.82	-38.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010769985	0	40	-1.0	-62.67	343.36	2.04	-60.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OC)=C1	REAL300010769986	0	39	-1.0	-62.76	345.50	3.67	-59.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010769987	0	32	-1.0	-50.80	306.92	4.16	-46.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010769988	0	31	-1.0	-50.93	295.57	2.29	-48.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300010769989	0	43	-1.0	-50.68	367.26	5.48	-45.20
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010769990	0	35	-1.0	-41.78	329.17	4.91	-36.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010769991	0	37	-1.0	-57.74	326.34	-0.26	-58.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300010769992	0	35	-1.0	-41.80	305.40	5.12	-36.68
CCOC(=O)C1CCCN1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010769993	0	43	-1.0	-63.84	360.25	4.09	-59.75
CNC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1C	REAL300010769994	0	40	-1.0	-57.89	348.28	1.23	-56.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300010769995	0	42	-1.0	-46.40	335.90	4.28	-42.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010769996	0	40	-1.0	-59.44	356.55	3.44	-56.00
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010769997	0	41	-1.0	-46.69	361.39	5.01	-41.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010769998	0	43	-1.0	-57.07	359.28	3.72	-53.35
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(=O)OC)=C1	REAL300010769999	0	41	-1.0	-47.98	361.40	5.00	-42.98
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])O1	REAL300010770000	0	38	-1.0	-44.12	346.43	3.38	-40.74
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300010770194	0	39	-1.0	-54.62	326.63	3.37	-51.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010770195	0	39	-1.0	-58.86	338.49	4.31	-54.55
COCCN(CC(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300010770196	0	44	-1.0	-44.17	345.49	4.26	-39.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300010770197	0	47	-1.0	-57.05	379.39	4.94	-52.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300010770198	0	40	-1.0	-49.52	346.25	6.13	-43.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010770199	0	39	-1.0	-61.51	330.23	2.66	-58.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300010770200	0	40	-1.0	-43.45	336.45	5.21	-38.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010770201	0	37	-1.0	-58.60	339.65	4.26	-54.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010770202	0	32	-1.0	-50.78	301.94	4.85	-45.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010770203	0	34	-1.0	-51.61	296.70	4.95	-46.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010770204	0	29	-1.0	-42.50	289.40	2.38	-40.12
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300010770205	0	42	-1.0	-64.34	338.53	4.50	-59.84
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300010770206	0	44	-1.0	-56.81	328.50	5.83	-50.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010770207	0	34	-1.0	-52.43	313.03	4.31	-48.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300010770208	0	36	-1.0	-53.70	334.58	3.50	-50.20
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1C	REAL300010770209	0	42	-1.0	-62.38	367.35	4.59	-57.79
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010770210	0	45	-1.0	-52.85	394.43	4.72	-48.13
CCC1=NOC2=NC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C12	REAL300010770211	0	39	-1.0	-48.59	345.52	2.18	-46.41
CCC1=NC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])S1	REAL300010770212	0	34	-1.0	-52.94	314.33	2.14	-50.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010770213	0	44	-1.0	-57.00	367.88	5.05	-51.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010770214	0	32	-1.0	-60.11	297.33	4.30	-55.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300010770215	0	34	-1.0	-46.24	306.64	2.70	-43.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300010770216	0	37	-1.0	-42.99	323.63	5.02	-37.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010770217	0	39	-1.0	-49.09	344.75	5.28	-43.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300010770218	0	36	-1.0	-48.55	340.02	5.11	-43.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300010770219	0	34	-1.0	-51.21	323.53	3.98	-47.23
COCCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010770220	0	42	-1.0	-66.89	361.71	0.92	-65.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300010770221	0	35	-1.0	-46.33	325.70	1.61	-44.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300010770222	0	37	-1.0	-57.26	315.34	4.18	-53.08
CCN1C(=O)OC2=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C21	REAL300010770223	0	41	-1.0	-59.97	359.70	4.55	-55.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010770224	0	47	-1.0	-44.41	398.55	4.07	-40.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010770225	0	31	-1.0	-50.37	305.19	3.36	-47.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010770226	0	50	0.0	-72.08	396.47	5.50	-66.58
CCC1=CC=C(CS(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770227	0	41	-1.0	-46.45	349.47	5.80	-40.65
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300010770228	0	38	-1.0	-47.31	333.30	5.06	-42.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300010770229	0	35	-1.0	-41.74	309.96	5.23	-36.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010770230	0	36	-1.0	-51.90	314.28	3.57	-48.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010770231	0	32	-1.0	-42.66	307.00	4.17	-38.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300010770232	0	40	-1.0	-64.81	336.03	4.10	-60.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010770233	0	41	-1.0	-46.15	337.48	4.81	-41.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1F	REAL300010770234	0	35	-1.0	-57.76	297.31	4.32	-53.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770235	0	46	-1.0	-63.15	402.20	4.86	-58.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300010770236	0	36	-1.0	-53.59	308.62	2.88	-50.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010770237	0	33	-1.0	-56.16	311.42	4.28	-51.88
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CSC(C)=N1	REAL300010770238	0	34	-1.0	-46.95	313.16	2.04	-44.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010770239	0	35	-1.0	-55.54	323.00	3.35	-52.19
COCCN(CC(=O)[O-])S(=O)(=O)CCCCCC(=O)OC	REAL300010770240	0	43	-1.0	-47.11	366.63	4.49	-42.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010770241	0	37	-1.0	-45.83	328.59	3.60	-42.23
CCC1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770242	0	38	-1.0	-45.31	306.40	4.79	-40.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300010770243	0	40	-1.0	-57.90	341.05	2.00	-55.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010770245	0	35	-1.0	-49.91	339.26	5.09	-44.82
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770246	0	43	-1.0	-49.20	355.74	2.00	-47.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300010770247	0	38	-1.0	-48.55	347.25	4.41	-44.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010770248	0	42	-1.0	-42.86	375.51	2.99	-39.87
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300010770249	0	42	-1.0	-58.48	358.28	4.40	-54.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010770250	0	35	-1.0	-58.40	316.97	3.18	-55.22
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010770251	0	43	-1.0	-47.52	363.97	4.97	-42.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300010770252	0	40	-1.0	-54.99	337.60	5.26	-49.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010770253	0	35	-1.0	-50.35	317.00	4.51	-45.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010770254	0	35	-1.0	-46.11	319.70	5.13	-40.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300010770255	0	35	-1.0	-54.76	326.50	4.86	-49.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300010770256	0	36	-1.0	-47.96	307.16	4.85	-43.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010770257	0	43	-1.0	-60.02	362.42	3.22	-56.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010770258	0	44	-1.0	-47.08	371.21	3.86	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010770259	0	40	-1.0	-49.06	354.30	4.91	-44.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010770260	0	42	-1.0	-42.86	375.51	2.99	-39.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010770261	0	40	-1.0	-49.72	336.33	4.04	-45.68
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010770262	0	35	-1.0	-41.76	329.18	4.92	-36.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300010770263	0	42	-1.0	-47.32	357.58	5.29	-42.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1C	REAL300010770264	0	38	-1.0	-47.98	334.56	4.62	-43.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300010770265	0	36	-1.0	-44.35	320.53	3.02	-41.33
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770266	0	43	-1.0	-61.30	367.98	3.90	-57.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300010770267	0	46	-1.0	-62.44	395.88	4.93	-57.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300010770268	0	41	-1.0	-58.71	337.93	5.71	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010770269	0	46	-1.0	-60.71	394.43	7.09	-53.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC	REAL300010770270	0	40	-1.0	-63.63	359.24	5.88	-57.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010770271	0	44	0.0	-65.96	363.23	5.55	-60.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010770272	0	40	-1.0	-49.21	336.28	4.04	-45.17
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C2O1	REAL300010770273	0	47	-1.0	-51.85	394.04	6.25	-45.60
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300010770274	0	35	-1.0	-44.25	318.30	4.23	-40.02
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770275	0	44	-1.0	-57.76	368.85	5.62	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010770276	0	32	-1.0	-52.28	319.00	4.81	-47.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300010770277	0	32	-1.0	-43.97	313.66	4.70	-39.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010770278	0	38	-1.0	-49.78	325.07	4.00	-45.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300010770279	0	36	-1.0	-51.53	310.43	3.44	-48.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300010770280	0	40	-1.0	-57.40	333.61	6.43	-50.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010770281	0	38	-1.0	-56.48	335.15	5.54	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010770282	0	42	-1.0	-40.51	363.15	5.87	-34.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300010770283	0	35	-1.0	-49.81	319.17	4.70	-45.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010770284	0	37	-1.0	-57.17	324.96	3.94	-53.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300010770285	0	38	-1.0	-62.10	334.04	5.03	-57.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300010770286	0	40	-1.0	-52.53	339.68	5.48	-47.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010770287	0	32	-1.0	-56.03	315.26	4.83	-51.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010770288	0	42	-1.0	-40.51	363.15	5.87	-34.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010770289	0	31	-1.0	-41.78	302.57	2.32	-39.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010770290	0	32	-1.0	-44.30	320.93	4.72	-39.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010770291	0	43	-1.0	-46.22	380.80	4.31	-41.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010770292	0	32	-1.0	-43.89	305.60	4.04	-39.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300010770293	0	42	-1.0	-59.32	341.32	5.09	-54.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1	REAL300010770294	0	35	-1.0	-53.33	310.99	0.27	-53.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(C)=C1	REAL300010770295	0	36	-1.0	-43.44	324.80	4.55	-38.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010770296	0	38	-1.0	-43.71	344.12	4.33	-39.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300010770297	0	36	-1.0	-57.68	325.34	4.07	-53.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010770298	0	33	-1.0	-48.61	312.71	2.43	-46.18
COCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010770299	0	45	-1.0	-59.13	372.26	6.90	-52.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010770300	0	43	-1.0	-61.85	365.40	4.34	-57.51
COCCN(CC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010770301	0	49	-1.0	-46.26	373.77	9.31	-36.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010770302	0	46	-1.0	-58.85	378.30	5.84	-53.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300010770303	0	39	-1.0	-56.27	321.64	3.34	-52.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300010770304	0	37	-1.0	-53.17	333.77	2.44	-50.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010770305	0	33	-1.0	-44.28	325.30	4.54	-39.74
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010770306	0	34	-1.0	-49.44	331.81	4.96	-44.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300010770307	0	39	-1.0	-55.36	345.63	4.26	-51.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300010770308	0	38	-1.0	-51.75	360.42	4.59	-47.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010770309	0	39	-1.0	-56.78	332.21	3.44	-53.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300010770310	0	40	-1.0	-55.16	349.35	3.09	-52.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010770311	0	36	-1.0	-46.21	330.27	3.28	-42.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010770312	0	35	-1.0	-40.02	329.14	4.71	-35.31
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C	REAL300010770313	0	43	-1.0	-51.96	376.67	0.61	-51.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300010770314	0	36	-1.0	-48.02	327.10	4.80	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010770315	0	38	-1.0	-49.53	324.77	2.61	-46.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010770316	0	37	-1.0	-57.76	341.06	0.08	-57.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300010770317	0	38	-1.0	-45.18	340.40	4.22	-40.96
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770318	0	40	-1.0	-63.22	353.66	5.17	-58.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300010770319	0	36	-1.0	-46.86	316.67	3.91	-42.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300010770320	0	38	-1.0	-44.13	314.64	3.28	-40.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300010770321	0	38	-1.0	-58.02	329.82	4.85	-53.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010770322	0	32	-1.0	-41.37	306.63	4.46	-36.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300010770323	0	38	-1.0	-43.48	312.86	5.07	-38.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010770324	0	32	-1.0	-52.09	307.25	4.27	-47.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300010770325	0	42	-1.0	-59.19	359.27	0.77	-58.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010770326	0	34	-1.0	-48.77	324.23	4.94	-43.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)S1	REAL300010770327	0	30	-1.0	-40.65	297.45	3.19	-37.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010770328	0	34	-1.0	-49.57	327.11	4.62	-44.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010770329	0	32	-1.0	-41.39	310.75	4.89	-36.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010770330	0	33	-1.0	-63.20	306.98	2.15	-61.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300010770331	0	35	-1.0	-53.95	308.40	1.05	-52.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010770332	0	32	-1.0	-59.11	307.01	4.18	-54.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300010770333	0	42	-1.0	-47.16	366.88	4.36	-42.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010770334	0	32	-1.0	-41.01	309.30	4.55	-36.46
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010770335	0	35	-1.0	-44.12	323.31	4.86	-39.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300010770336	0	35	-1.0	-51.15	329.50	2.00	-49.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010770336	1	34	-2.0	-105.87	326.48	0.87	-105.00
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010770337	0	35	-1.0	-44.05	327.88	4.97	-39.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010770338	0	36	-1.0	-57.64	335.02	0.87	-56.77
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770339	0	41	-1.0	-70.33	350.84	6.28	-64.05
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770340	0	40	-1.0	-50.69	340.35	1.30	-49.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010770341	0	36	-1.0	-57.44	339.58	0.98	-56.46
CCOC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770342	0	39	-1.0	-51.56	336.17	3.86	-47.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010770343	0	43	-1.0	-51.86	359.14	5.01	-46.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010770344	0	36	-1.0	-39.56	341.47	4.82	-34.74
COCCN(CCC#N)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770345	0	41	-1.0	-54.65	342.16	2.36	-52.29
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(C)C=C1	REAL300010770346	0	41	-1.0	-57.67	350.18	5.78	-51.89
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300010770347	0	39	-1.0	-59.36	353.47	4.19	-55.17
COCCN(CC(=O)[O-])S(=O)(=O)N1CCOC(C#N)C1	REAL300010770348	0	36	-1.0	-46.44	313.83	0.84	-45.60
CCN(CC(C)C#N)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770349	0	40	-1.0	-53.93	323.22	3.69	-50.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010770350	0	35	-1.0	-47.10	297.61	3.30	-43.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010770351	0	33	-1.0	-64.56	314.50	4.20	-60.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010770352	0	33	-1.0	-60.94	315.97	4.31	-56.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300010770353	0	38	-1.0	-41.26	327.42	5.60	-35.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010770354	0	38	-1.0	-51.88	340.12	4.95	-46.93
COCCOCCOCCS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770355	0	46	-1.0	-58.18	387.14	1.69	-56.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300010770356	0	42	-1.0	-65.28	369.30	1.07	-64.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010770357	0	32	-1.0	-43.41	306.14	4.47	-38.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300010770358	0	49	-1.0	-65.05	396.95	5.56	-59.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300010770359	0	41	-1.0	-50.15	369.75	5.11	-45.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC	REAL300010770360	0	42	-1.0	-52.74	373.01	5.36	-47.38
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770361	0	41	-1.0	-57.12	355.06	6.09	-51.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300010770362	0	41	-1.0	-56.74	350.89	5.79	-50.95
COCCN(CC(=O)[O-])C(=O)N(C)C1CCS(=O)(=O)C1	REAL300010770363	0	39	-1.0	-51.56	314.17	1.48	-50.08
CNC(=O)C1=CC=C(CS(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770364	0	42	-1.0	-51.16	363.06	2.63	-48.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010770365	0	32	-1.0	-56.02	303.14	4.10	-51.92
COCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010770366	0	45	-1.0	-45.21	383.60	5.19	-40.02
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C(F)C=C1Cl	REAL300010770367	0	41	-1.0	-52.59	375.55	5.56	-47.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010770368	0	34	-1.0	-41.15	328.30	5.35	-35.80
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010770369	0	41	-1.0	-48.66	343.96	0.80	-47.86
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770370	0	40	-1.0	-46.38	337.49	4.51	-41.87
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1OC	REAL300010770371	0	43	-1.0	-57.61	374.83	3.49	-54.12
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C(F)C=C1C	REAL300010770372	0	44	-1.0	-55.53	379.06	5.69	-49.84
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770373	0	46	-1.0	-61.56	396.34	1.83	-59.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300010770374	0	43	-1.0	-61.62	363.68	3.27	-58.35
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770375	0	45	-1.0	-61.56	385.13	5.13	-56.43
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C1C	REAL300010770376	0	44	-1.0	-49.74	377.49	5.75	-43.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010770377	0	35	-1.0	-45.49	306.00	5.29	-40.20
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770378	0	44	-1.0	-50.29	383.62	6.01	-44.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010770379	0	35	-1.0	-55.43	328.02	5.43	-50.00
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300010770380	0	48	-1.0	-43.03	383.64	5.00	-38.03
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300010770381	0	37	-1.0	-46.03	331.60	2.86	-43.17
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010770382	0	38	-1.0	-56.95	345.50	5.61	-51.34
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770383	0	41	-1.0	-58.99	362.99	5.15	-53.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010770384	0	42	-1.0	-48.06	359.00	7.05	-41.01
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770385	0	46	-1.0	-55.38	393.31	1.55	-53.83
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010770386	0	35	-1.0	-57.69	324.06	4.89	-52.80
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1C	REAL300010770387	0	44	-1.0	-60.29	386.34	4.78	-55.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010770388	0	38	-1.0	-46.04	355.33	1.58	-44.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010770389	0	36	-1.0	-59.27	330.19	4.46	-54.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010770390	0	35	-1.0	-53.19	306.35	4.62	-48.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300010770391	0	34	-1.0	-42.64	306.79	2.88	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300010770392	0	35	-1.0	-52.43	325.12	3.37	-49.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010770393	0	33	-1.0	-48.98	307.20	2.44	-46.54
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(=O)OC	REAL300010770394	0	40	-1.0	-48.80	331.73	3.56	-45.24
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770395	0	45	-1.0	-61.79	376.94	4.47	-57.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010770396	0	35	-2.0	-108.41	325.30	3.31	-105.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010770396	1	36	-1.0	-55.50	327.21	2.61	-52.89
CCOC(=O)CC1(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1	REAL300010770397	0	41	-1.0	-43.86	346.23	4.89	-38.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010770398	0	33	-1.0	-51.81	326.84	4.48	-47.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300010770399	0	43	-1.0	-60.16	378.74	3.10	-57.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300010770400	0	47	-1.0	-45.38	397.74	6.46	-38.92
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1	REAL300010770401	0	38	-1.0	-46.77	327.99	5.03	-41.74
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770402	0	44	-1.0	-57.31	377.83	2.97	-54.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010770403	0	37	-1.0	-50.17	331.18	0.83	-49.34
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300010770404	0	44	-1.0	-45.56	356.40	5.62	-39.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010770405	0	31	-1.0	-42.21	316.14	2.83	-39.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300010770406	0	39	-1.0	-55.23	355.58	3.81	-51.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300010770407	0	38	-1.0	-43.56	339.24	5.16	-38.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010770408	0	43	-1.0	-45.58	390.22	7.00	-38.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300010770409	0	41	-1.0	-50.44	361.76	5.08	-45.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010770410	0	34	-1.0	-51.58	312.30	3.42	-48.16
COCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300010770411	0	42	-1.0	-45.11	327.50	5.09	-40.02
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010770412	0	38	-1.0	-44.92	344.27	5.57	-39.35
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300010770413	0	41	-1.0	-63.73	344.39	4.27	-59.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010770414	0	32	-1.0	-40.32	317.54	3.84	-36.48
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010770415	0	36	-1.0	-58.03	331.98	4.62	-53.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300010770416	0	45	-1.0	-61.06	393.62	3.95	-57.11
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770417	0	48	-1.0	-60.79	415.49	4.88	-55.91
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300010770418	0	47	-1.0	-46.12	369.03	6.02	-40.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1	REAL300010770419	0	40	-1.0	-45.75	351.08	2.98	-42.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010770420	0	36	-1.0	-58.36	332.19	3.38	-54.98
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770421	0	41	-1.0	-55.52	377.14	5.66	-49.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010770422	0	33	-1.0	-45.40	311.51	4.08	-41.32
COCCN(CC(=O)[O-])S(=O)(=O)CCC1CCOCC1	REAL300010770423	0	42	-1.0	-44.62	340.01	2.92	-41.70
COCCN(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010770424	0	48	-1.0	-53.38	415.92	5.50	-47.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)S1	REAL300010770425	0	35	-1.0	-56.65	310.58	4.15	-52.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010770426	0	34	-1.0	-42.02	325.54	3.19	-38.83
COCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300010770427	0	45	-1.0	-45.20	340.25	5.63	-39.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010770428	0	41	-1.0	-58.18	348.56	5.19	-52.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010770429	0	33	-1.0	-51.52	309.40	3.59	-47.93
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010770430	0	38	-1.0	-46.04	338.75	5.22	-40.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010770431	0	35	-1.0	-43.86	319.41	3.03	-40.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010770432	0	34	-1.0	-56.78	326.68	5.81	-50.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F	REAL300010770433	0	41	-1.0	-55.68	357.20	4.77	-50.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1	REAL300010770434	0	40	-1.0	-49.94	361.28	5.03	-44.91
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300010770435	0	41	-1.0	-47.37	335.94	5.71	-41.66
COCCN(CC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010770436	0	42	-1.0	-47.02	362.11	4.41	-42.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300010770437	0	59	-1.0	-46.76	433.92	9.13	-37.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010770438	0	37	-1.0	-50.83	334.20	5.15	-45.68
CCOC(=O)C1=CC=C(CS(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770439	0	44	-1.0	-46.43	383.25	5.94	-40.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1C(=O)OC	REAL300010770440	0	37	-1.0	-49.87	319.01	3.17	-46.70
COCCN(CC(=O)[O-])S(=O)(=O)CC1CC(F)(F)C1	REAL300010770441	0	35	-1.0	-42.58	308.11	3.59	-38.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300010770442	0	39	-1.0	-52.92	352.02	3.87	-49.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010770443	0	39	-1.0	-55.53	333.00	5.69	-49.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300010770444	0	44	-1.0	-56.29	363.56	5.15	-51.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010770445	0	40	-1.0	-55.67	344.31	4.55	-51.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010770446	0	35	-1.0	-54.20	320.36	4.07	-50.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010770447	0	35	-1.0	-48.72	336.18	5.72	-43.00
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010770448	0	35	-1.0	-41.74	333.59	5.02	-36.72
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010770449	0	41	-1.0	-53.48	367.27	1.87	-51.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010770450	0	35	-1.0	-51.17	304.52	5.05	-46.12
COCCN(CC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300010770451	0	44	-1.0	-57.46	349.55	5.29	-52.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300010770452	0	41	-1.0	-56.70	351.02	6.51	-50.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CS1	REAL300010770453	0	29	-1.0	-55.41	288.39	3.13	-52.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C	REAL300010770454	0	41	-1.0	-46.15	359.87	5.11	-41.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010770455	0	47	-1.0	-62.63	395.75	4.32	-58.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300010770456	0	45	-1.0	-60.62	370.29	4.14	-56.48
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010770457	0	35	-1.0	-60.27	326.16	4.81	-55.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010770458	0	38	-1.0	-50.09	330.51	5.79	-44.30
CCC1=CC(CC)=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(CC)=C1	REAL300010770459	0	50	-1.0	-56.06	387.02	7.95	-48.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010770460	0	37	-1.0	-56.05	319.57	3.43	-52.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010770461	0	39	-1.0	-48.32	340.80	3.41	-44.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010770462	0	34	-1.0	-49.74	332.38	4.38	-45.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300010770463	0	40	-1.0	-49.93	353.38	3.39	-46.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010770464	0	40	-1.0	-45.03	355.98	2.20	-42.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010770465	0	37	-1.0	-56.97	339.05	-1.41	-58.38
COCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010770466	0	43	-1.0	-62.88	356.06	0.75	-62.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300010770467	0	36	-1.0	-44.29	330.34	3.50	-40.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010770468	0	35	-1.0	-43.85	312.76	1.64	-42.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC	REAL300010770469	0	45	-1.0	-48.12	371.94	4.09	-44.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010770470	0	37	-1.0	-50.65	312.26	4.57	-46.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300010770471	0	41	-1.0	-47.48	351.05	6.47	-41.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010770472	0	36	-1.0	-53.49	324.77	3.88	-49.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010770473	0	36	-1.0	-53.52	335.09	4.34	-49.18
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1	REAL300010770474	0	41	-1.0	-52.63	367.22	5.14	-47.49
COCCN(CC(=O)[O-])S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300010770475	0	45	-1.0	-47.23	372.10	5.02	-42.21
COCCN(CC(=O)[O-])S(=O)(=O)CC(CC(C)C)OC	REAL300010770476	0	44	-1.0	-45.95	352.10	3.81	-42.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300010770477	0	36	-1.0	-57.87	315.01	3.62	-54.25
COCCN(CC(=O)[O-])S(=O)(=O)CCCC1CCOC1	REAL300010770478	0	42	-1.0	-44.41	343.61	2.91	-41.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010770479	0	35	-1.0	-46.20	324.40	2.75	-43.45
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010770480	0	40	-1.0	-53.75	347.26	5.47	-48.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300010770481	0	48	-1.0	-60.16	384.76	5.86	-54.30
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010770482	0	39	-1.0	-52.18	348.82	5.53	-46.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1	REAL300010770483	0	36	-1.0	-51.25	314.30	2.93	-48.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300010770484	0	35	-1.0	-44.45	328.08	0.88	-43.57
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(F)=C1	REAL300010770485	0	41	-1.0	-44.90	362.26	5.15	-39.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1	REAL300010770486	0	41	-1.0	-54.80	377.28	5.22	-49.58
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010770487	0	35	-1.0	-43.68	323.31	4.88	-38.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300010770488	0	35	-1.0	-44.21	320.27	4.74	-39.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010770489	0	38	-1.0	-49.40	332.93	4.62	-44.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300010770490	0	41	-1.0	-56.08	370.01	5.05	-51.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300010770491	0	38	-1.0	-53.16	349.94	5.17	-47.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300010770492	0	41	-1.0	-50.16	360.74	4.83	-45.33
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770493	0	39	-1.0	-54.13	325.48	3.99	-50.14
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300010770494	0	38	-1.0	-58.00	339.70	5.50	-52.50
COCCN(CC(=O)[O-])S(=O)(=O)CCCC1CCOCC1	REAL300010770495	0	45	-1.0	-44.25	361.49	3.69	-40.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010770496	0	47	-1.0	-48.64	398.91	2.27	-46.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010770497	0	40	-1.0	-61.86	332.23	4.95	-56.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010770498	0	39	-1.0	-61.90	339.11	1.62	-60.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010770499	0	32	-1.0	-45.28	307.41	4.21	-41.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Br)S1	REAL300010770500	0	32	-1.0	-53.34	308.86	3.97	-49.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010770501	0	41	-1.0	-51.52	341.35	4.02	-47.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=COC(C(=O)N(C)C)=C1C	REAL300010770502	0	42	-1.0	-57.51	359.27	2.58	-54.93
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010770503	0	38	-1.0	-57.63	335.19	5.17	-52.46
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300010770504	0	38	-1.0	-45.83	333.64	5.17	-40.66
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010770505	0	38	-1.0	-45.03	340.76	5.51	-39.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300010770506	0	47	-1.0	-56.60	383.99	2.62	-53.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300010770507	0	43	-1.0	-46.32	374.76	4.08	-42.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300010770508	0	39	-1.0	-45.17	355.39	6.01	-39.16
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(OC)CC1	REAL300010770509	0	41	-1.0	-54.29	328.93	1.55	-52.74
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCOC1	REAL300010770510	0	43	-1.0	-46.76	348.39	1.49	-45.27
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010770511	0	35	-1.0	-56.72	330.39	4.97	-51.75
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010770512	0	35	-1.0	-57.26	327.14	4.85	-52.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010770513	0	32	-1.0	-50.53	321.80	4.71	-45.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300010770514	0	39	-1.0	-67.01	339.71	1.02	-65.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300010770515	0	47	-1.0	-51.77	394.68	5.99	-45.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010770516	0	32	-1.0	-45.16	311.81	4.31	-40.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010770517	0	38	-1.0	-43.71	344.12	4.33	-39.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300010770518	0	46	-1.0	-48.14	392.99	6.72	-41.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010770519	0	46	-1.0	-51.26	402.28	6.99	-44.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010770520	0	31	-1.0	-48.29	294.51	2.82	-45.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300010770521	0	44	-1.0	-50.81	368.74	3.15	-47.66
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300010770522	0	42	-1.0	-57.57	365.33	4.70	-52.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010770523	0	44	-1.0	-57.74	367.73	5.03	-52.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)C=NN1C	REAL300010770524	0	38	-1.0	-53.34	312.74	3.08	-50.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300010770525	0	40	-1.0	-47.20	366.70	2.53	-44.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300010770526	0	44	-1.0	-58.00	371.71	6.55	-51.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300010770527	0	43	-1.0	-47.63	369.50	2.74	-44.89
CCOC(CS(=O)(=O)N(CCOC)CC(=O)[O-])C1CC1	REAL300010770528	0	42	-1.0	-59.80	347.61	3.91	-55.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300010770529	0	38	-1.0	-52.64	339.61	4.73	-47.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300010770530	0	43	-1.0	-65.98	370.04	4.95	-61.03
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770531	0	45	-1.0	-52.33	374.84	5.30	-47.03
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300010770532	0	45	-1.0	-57.59	361.39	3.94	-53.65
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300010770533	0	48	-1.0	-57.99	375.21	4.62	-53.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010770534	0	35	-1.0	-47.61	324.76	3.14	-44.47
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300010770535	0	51	-1.0	-46.55	416.27	6.69	-39.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010770536	0	35	-1.0	-66.49	327.46	3.15	-63.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300010770537	0	36	-1.0	-43.40	309.29	4.69	-38.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300010770538	0	40	-1.0	-55.22	340.60	5.60	-49.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010770539	0	39	-1.0	-52.45	328.03	3.46	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010770540	0	45	-1.0	-52.58	374.06	5.96	-46.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300010770541	0	38	-1.0	-54.53	341.73	2.98	-51.55
CCC1=NC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1CC1CC1	REAL300010770542	0	45	-1.0	-62.88	368.07	5.35	-57.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300010770543	0	43	-1.0	-62.71	357.74	4.26	-58.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010770544	0	35	-1.0	-43.95	322.40	2.96	-40.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010770545	0	43	-1.0	-58.21	384.40	7.68	-50.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300010770546	0	35	-1.0	-49.70	319.19	4.69	-45.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010770547	0	42	-1.0	-62.95	349.58	7.09	-55.86
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C)=CC=C1Br	REAL300010770548	0	38	-1.0	-59.15	345.41	5.56	-53.59
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)C=CC=C1OC	REAL300010770549	0	39	-1.0	-60.57	352.15	4.27	-56.30
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010770550	0	38	-1.0	-48.31	338.72	5.19	-43.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300010770551	0	35	-1.0	-60.10	313.05	4.27	-55.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010770552	0	31	-1.0	-43.58	302.26	2.18	-41.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300010770553	0	41	-1.0	-52.67	346.66	2.59	-50.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010770554	0	38	-1.0	-51.87	337.75	2.06	-49.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010770555	0	39	-1.0	-46.60	360.35	2.93	-43.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)C=CO1	REAL300010770556	0	35	-1.0	-51.06	316.15	3.47	-47.59
CCC1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C(C)C=C1OC	REAL300010770557	0	45	-1.0	-54.34	362.86	4.79	-49.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010770558	0	38	-1.0	-50.08	345.37	5.63	-44.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300010770559	0	40	-1.0	-49.19	353.63	5.24	-43.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010770560	0	34	-1.0	-61.86	308.83	2.49	-59.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300010770561	0	41	-1.0	-49.43	332.80	6.60	-42.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010770562	0	39	-1.0	-43.57	338.97	3.84	-39.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CC#N	REAL300010770563	0	36	-1.0	-43.16	306.76	4.41	-38.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300010770564	0	41	-1.0	-46.80	355.81	3.37	-43.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010770565	0	37	-1.0	-54.40	328.60	2.08	-52.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1	REAL300010770566	0	41	-1.0	-61.81	368.67	5.17	-56.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010770567	0	32	-1.0	-44.50	289.32	0.70	-43.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300010770568	0	37	-1.0	-52.90	333.31	4.88	-48.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010770569	0	38	-1.0	-49.46	333.82	4.60	-44.86
COCCN(CC(=O)[O-])S(=O)(=O)CCC[NH+]1CCCC1	REAL300010770570	0	44	0.0	-83.21	352.78	4.57	-78.64
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010770571	0	49	0.0	-83.43	385.32	2.82	-80.61
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCN(C)CC1	REAL300010770571	1	48	-1.0	-58.78	381.25	0.32	-58.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010770572	0	32	-1.0	-53.06	302.30	1.58	-51.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C#N	REAL300010770573	0	36	-1.0	-55.11	315.38	4.56	-50.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300010770574	0	41	-1.0	-51.95	352.98	2.09	-49.86
CCCCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C)=N1	REAL300010770575	0	44	-1.0	-46.53	367.05	5.02	-41.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC	REAL300010770576	0	42	-1.0	-55.81	367.82	4.25	-51.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC	REAL300010770577	0	42	-1.0	-68.14	360.12	4.53	-63.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300010770578	0	36	-1.0	-56.53	312.34	3.79	-52.74
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300010770579	0	48	-1.0	-46.87	394.77	5.89	-40.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010770580	0	44	-1.0	-43.82	363.03	5.90	-37.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010770581	0	33	-1.0	-51.91	311.02	4.03	-47.88
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010770582	0	35	-1.0	-58.19	327.17	4.84	-53.35
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010770583	0	51	-1.0	-46.05	408.44	8.16	-37.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010770584	0	36	-1.0	-49.96	313.99	3.44	-46.52
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)CCl	REAL300010770585	0	37	-1.0	-41.77	310.78	3.97	-37.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)NC=N1	REAL300010770586	0	29	-1.0	-49.26	283.02	1.90	-47.36
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010770587	0	40	-1.0	-48.11	351.43	4.48	-43.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010770588	0	31	-1.0	-51.55	302.63	2.52	-49.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010770589	0	31	-1.0	-43.50	297.67	2.10	-41.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010770590	0	31	-1.0	-43.37	287.21	1.61	-41.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1OC	REAL300010770591	0	35	-1.0	-54.27	327.73	1.54	-52.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010770592	0	37	-1.0	-55.44	339.22	4.43	-51.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010770593	0	34	-1.0	-52.31	323.52	3.47	-48.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010770594	0	42	-1.0	-47.98	371.84	4.46	-43.52
COCCN(CC(=O)[O-])S(=O)(=O)N=S1(=O)CCCC1	REAL300010770595	0	36	-1.0	-68.33	317.29	0.95	-67.38
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010770596	0	35	-1.0	-54.44	325.24	4.44	-50.00
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010770597	0	31	-1.0	-59.17	311.77	1.98	-57.19
CCS(=O)(CC)=NS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770598	0	38	-1.0	-71.39	323.45	1.75	-69.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300010770599	0	34	-1.0	-65.01	320.21	4.92	-60.09
COCCN(CC(=O)[O-])S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010770600	0	40	-1.0	-59.68	332.75	2.85	-56.83
CCN1CC(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1=O	REAL300010770601	0	39	-1.0	-67.47	327.00	2.14	-65.33
CCOC(=O)C1(S(=O)(=O)N(CCOC)CC(=O)[O-])CCC1	REAL300010770602	0	41	-1.0	-42.92	321.37	4.18	-38.74
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010770603	0	43	-1.0	-66.87	369.12	0.18	-66.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010770604	0	33	-1.0	-52.64	320.10	2.93	-49.71
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCC1(F)F	REAL300010770605	0	35	-1.0	-45.54	307.24	3.58	-41.96
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010770606	0	41	-1.0	-46.69	361.39	5.01	-41.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010770607	0	35	-1.0	-49.78	331.39	5.21	-44.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010770608	0	35	-1.0	-53.58	309.23	1.93	-51.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010770609	0	42	-1.0	-47.65	341.25	4.12	-43.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010770610	0	29	-1.0	-55.93	286.45	2.93	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010770611	0	44	-1.0	-57.30	357.02	4.01	-53.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010770612	0	42	-1.0	-45.48	351.50	4.65	-40.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010770613	0	35	-1.0	-46.04	311.31	2.34	-43.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010770614	0	32	-1.0	-58.18	304.15	1.65	-56.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010770615	0	34	-1.0	-53.36	321.63	2.70	-50.66
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300010770616	0	39	-1.0	-60.46	341.85	3.75	-56.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010770617	0	46	-1.0	-53.83	389.70	4.80	-49.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010770618	0	32	-2.0	-109.60	292.97	2.37	-107.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010770618	1	33	-1.0	-55.82	294.55	1.66	-54.16
C=CCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770619	0	42	-1.0	-54.67	351.37	6.53	-48.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010770620	0	35	-1.0	-55.76	314.89	1.35	-54.41
CCC1=NN(C)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770621	0	38	-1.0	-56.74	331.56	2.70	-54.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300010770622	0	37	-1.0	-55.46	329.81	4.11	-51.35
COCCN(CC(=O)[O-])S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010770623	0	41	-1.0	-68.44	349.66	1.69	-66.75
CCCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300010770624	0	54	-1.0	-48.25	437.76	7.48	-40.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1C#N	REAL300010770625	0	36	-1.0	-51.76	309.47	4.64	-47.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1C#N	REAL300010770626	0	36	-1.0	-67.72	306.51	4.47	-63.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010770627	0	35	-1.0	-43.77	321.49	4.55	-39.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010770628	0	43	-1.0	-59.90	366.49	4.03	-55.87
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010770629	0	36	-1.0	-54.44	334.75	5.38	-49.06
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)(C)C	REAL300010770630	0	54	-1.0	-46.77	428.81	7.35	-39.42
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1CC	REAL300010770631	0	48	-1.0	-48.10	399.34	6.16	-41.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010770632	0	39	-1.0	-59.87	337.90	5.70	-54.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300010770633	0	38	-1.0	-43.50	323.17	5.51	-37.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC	REAL300010770634	0	46	-1.0	-67.57	380.63	3.40	-64.17
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010770635	0	35	-1.0	-61.02	329.69	4.93	-56.09
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010770636	0	42	-1.0	-47.77	364.94	5.56	-42.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300010770637	0	38	-1.0	-57.65	344.36	5.52	-52.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CN=C1Cl	REAL300010770638	0	34	-1.0	-56.41	307.35	2.68	-53.73
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300010770639	0	42	-1.0	-58.66	358.10	5.92	-52.74
COCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)C1CC1	REAL300010770640	0	44	-1.0	-43.84	347.10	5.08	-38.76
CCOC(=O)C1=C(S(=O)(=O)N(CCOC)CC(=O)[O-])N(C)N=C1	REAL300010770641	0	41	-1.0	-53.09	334.61	4.00	-49.09
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010770642	0	36	-1.0	-47.83	331.56	5.27	-42.56
COCCN(CC(=O)[O-])S(=O)(=O)CCCC(C)(F)F	REAL300010770643	0	37	-1.0	-61.32	318.12	4.53	-56.79
COCCN(CC(=O)[O-])S(=O)(=O)CCCC1=CC=CC=C1	REAL300010770644	0	41	-1.0	-44.78	349.57	5.91	-38.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010770645	0	37	-1.0	-47.79	312.70	1.72	-46.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300010770646	0	36	-1.0	-51.92	318.38	-0.94	-52.86
CCCC1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770647	0	41	-1.0	-45.80	329.28	5.59	-40.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1	REAL300010770648	0	44	-1.0	-46.88	390.50	5.28	-41.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC	REAL300010770649	0	45	-1.0	-55.81	382.85	4.29	-51.52
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010770650	0	41	-1.0	-62.87	345.64	4.32	-58.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300010770651	0	32	-1.0	-48.77	294.18	4.40	-44.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=N1	REAL300010770652	0	37	-1.0	-48.48	329.59	3.10	-45.38
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010770653	0	38	-1.0	-57.36	335.18	5.17	-52.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300010770654	0	48	-1.0	-55.09	395.07	6.24	-48.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010770655	0	37	-1.0	-54.22	307.89	3.51	-50.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300010770656	0	52	-1.0	-62.86	411.34	6.07	-56.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300010770657	0	39	-1.0	-58.44	347.21	3.93	-54.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)SC=C1	REAL300010770658	0	30	-1.0	-48.62	282.08	3.05	-45.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010770659	0	46	-1.0	-47.05	380.35	3.72	-43.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010770660	0	47	-1.0	-57.46	395.49	6.29	-51.17
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C21	REAL300010770661	0	46	-1.0	-57.57	385.61	5.57	-52.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC	REAL300010770662	0	35	-1.0	-48.76	305.68	0.91	-47.85
CCC1CCN(S(=O)(=O)N(CCOC)CC(=O)[O-])CC1	REAL300010770663	0	43	-1.0	-55.01	339.79	3.98	-51.03
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010770664	0	39	-2.0	-104.34	328.15	3.22	-101.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010770665	0	39	-1.0	-47.13	334.96	3.31	-43.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010770666	0	39	-1.0	-45.35	329.64	4.10	-41.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010770667	0	42	-1.0	-52.93	350.42	3.99	-48.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21	REAL300010770668	0	44	-1.0	-47.12	357.94	6.57	-40.55
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770669	0	45	-1.0	-62.93	384.90	5.12	-57.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC	REAL300010770670	0	42	-1.0	-67.39	358.24	4.70	-62.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010770671	0	43	-1.0	-51.77	358.16	1.72	-50.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010770672	0	38	-1.0	-54.46	351.15	4.46	-50.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010770673	0	38	-1.0	-44.88	335.53	0.88	-44.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300010770674	0	29	-1.0	-45.26	284.52	2.81	-42.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300010770675	0	39	-1.0	-53.03	324.51	3.59	-49.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300010770676	0	36	-1.0	-43.30	330.13	4.03	-39.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300010770677	0	36	-1.0	-54.83	322.13	2.94	-51.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300010770678	0	48	-1.0	-58.12	387.82	5.70	-52.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300010770679	0	42	-1.0	-59.16	353.64	5.12	-54.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300010770680	0	35	-1.0	-44.90	303.22	4.19	-40.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300010770681	0	40	-1.0	-50.61	338.26	4.34	-46.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010770682	0	40	-1.0	-53.02	353.00	3.22	-49.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010770683	0	40	-1.0	-57.54	352.05	5.79	-51.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300010770684	0	36	-1.0	-47.52	320.46	4.30	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300010770685	0	35	-1.0	-56.41	319.32	4.69	-51.72
CCC1=CN=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770686	0	37	-1.0	-54.89	321.75	3.20	-51.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC(C(=O)OC)=C1	REAL300010770687	0	37	-1.0	-52.82	335.79	2.49	-50.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300010770688	0	49	-1.0	-68.39	394.30	5.70	-62.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010770689	0	38	-1.0	-59.26	334.38	4.14	-55.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300010770690	0	46	-1.0	-56.97	384.39	5.27	-51.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Cl	REAL300010770691	0	29	-1.0	-56.30	283.94	2.85	-53.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010770692	0	32	-1.0	-44.25	302.74	2.47	-41.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010770693	0	34	-1.0	-50.12	317.97	2.77	-47.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300010770694	0	37	-1.0	-63.66	306.07	2.97	-60.69
COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010770695	0	41	-1.0	-53.01	324.19	3.40	-49.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010770696	0	36	-1.0	-59.49	336.02	4.07	-55.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010770697	0	33	-1.0	-40.86	299.67	2.43	-38.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010770698	0	35	-1.0	-67.13	322.91	3.04	-64.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010770699	0	35	-1.0	-50.37	323.36	5.93	-44.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010770700	0	39	-1.0	-48.38	335.89	3.40	-44.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300010770701	0	41	-1.0	-54.61	330.25	5.57	-49.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300010770702	0	40	-1.0	-58.93	335.33	3.52	-55.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010770703	0	41	-1.0	-64.37	352.09	0.81	-63.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010770704	0	33	-1.0	-39.81	325.31	4.53	-35.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300010770705	0	35	-1.0	-57.72	310.97	3.80	-53.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300010770706	0	40	-1.0	-51.61	343.46	3.96	-47.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010770707	0	45	-1.0	-48.58	366.88	4.39	-44.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010770708	0	36	-1.0	-45.02	334.46	5.48	-39.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010770709	0	39	-1.0	-49.72	334.21	3.32	-46.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010770710	0	34	-2.0	-101.17	314.81	4.14	-97.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010770711	0	36	-1.0	-54.38	313.38	3.34	-51.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010770712	0	36	-1.0	-48.15	335.36	4.06	-44.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010770713	0	35	-1.0	-60.22	301.44	3.11	-57.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010770714	0	37	-1.0	-72.01	326.98	2.21	-69.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300010770715	0	35	-1.0	-57.72	310.97	3.80	-53.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010770716	0	32	-2.0	-97.44	313.31	4.47	-92.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300010770717	0	38	-1.0	-45.46	330.27	5.24	-40.22
COCCN(CC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300010770718	0	43	-1.0	-55.14	333.49	4.66	-50.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010770719	0	38	-1.0	-51.61	349.37	4.66	-46.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010770720	0	35	-1.0	-55.23	312.95	3.83	-51.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010770721	0	42	-1.0	-48.92	350.04	4.46	-44.46
COCCN(CC(=O)[O-])S(=O)(=O)NCCC1=CC=CC=C1	REAL300010770722	0	40	-1.0	-52.71	337.20	3.21	-49.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300010770723	0	50	-1.0	-59.05	398.18	7.58	-51.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010770724	0	38	-1.0	-47.61	356.02	5.51	-42.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC=C1	REAL300010770725	0	29	-1.0	-43.86	279.05	3.55	-40.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010770726	0	42	-1.0	-54.03	353.01	4.93	-49.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010770727	0	36	-1.0	-57.51	322.94	4.87	-52.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010770728	0	43	-1.0	-48.11	376.49	6.48	-41.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010770729	0	45	-1.0	-56.18	374.61	2.05	-54.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300010770730	0	41	-1.0	-73.56	347.46	4.85	-68.71
CCCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770731	0	41	-1.0	-47.97	349.20	5.86	-42.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300010770732	0	38	-1.0	-50.00	336.99	2.66	-47.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010770733	0	33	-1.0	-61.55	301.09	3.76	-57.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010770734	0	39	-1.0	-48.50	327.57	3.42	-45.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010770735	0	36	-1.0	-48.78	335.48	5.61	-43.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300010770736	0	44	-1.0	-57.38	384.40	6.49	-50.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1C	REAL300010770737	0	38	-1.0	-55.27	302.38	4.79	-50.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010770738	0	41	-1.0	-53.15	328.58	3.28	-49.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010770739	0	41	-1.0	-46.58	349.00	4.19	-42.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010770740	0	39	-1.0	-52.79	318.15	2.60	-50.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300010770741	0	37	-1.0	-46.52	335.75	3.46	-43.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010770742	0	35	-1.0	-50.16	328.92	4.64	-45.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010770743	0	35	-1.0	-55.39	302.15	4.56	-50.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010770744	0	32	-1.0	-56.87	307.97	3.95	-52.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010770745	0	32	-1.0	-50.34	315.77	3.69	-46.65
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300010770746	0	37	-1.0	-43.83	315.47	2.98	-40.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)C=C1	REAL300010770747	0	42	-1.0	-57.47	356.36	2.76	-54.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010770748	0	29	-1.0	-42.50	289.40	2.38	-40.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010770749	0	35	-1.0	-40.17	336.70	5.07	-35.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C	REAL300010770750	0	38	-1.0	-57.64	316.72	4.98	-52.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010770751	0	35	-1.0	-50.03	302.07	4.42	-45.61
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770752	0	43	-1.0	-58.68	369.37	5.67	-53.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010770753	0	43	-1.0	-47.53	347.74	6.55	-40.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010770754	0	42	-1.0	-57.41	364.00	5.27	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010770755	0	38	-1.0	-53.47	343.64	4.55	-48.92
COCCN(CC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010770756	0	38	-1.0	-46.86	328.55	4.63	-42.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010770757	0	37	-1.0	-54.75	339.12	4.23	-50.52
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010770758	0	39	-1.0	-51.22	335.87	1.99	-49.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010770759	0	32	-1.0	-54.08	311.96	4.49	-49.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010770760	0	32	-1.0	-57.24	306.65	3.82	-53.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010770761	0	39	-1.0	-46.79	334.04	5.75	-41.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300010770762	0	33	-1.0	-45.05	298.27	3.52	-41.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010770763	0	35	-1.0	-55.57	317.67	5.00	-50.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300010770764	0	38	-1.0	-52.63	350.36	3.95	-48.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010770765	0	39	-1.0	-50.92	330.19	6.23	-44.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010770766	0	42	-1.0	-52.39	351.89	4.27	-48.12
CCC(C)N1N=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770767	0	41	-1.0	-50.28	335.29	3.60	-46.68
CNC(=O)NC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770768	0	41	-1.0	-61.84	345.08	1.33	-60.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010770769	0	35	-1.0	-58.25	338.91	0.15	-58.10
CNC(=O)NC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300010770770	0	41	-1.0	-61.84	345.08	1.33	-60.51
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CS1	REAL300010770771	0	33	-1.0	-46.52	309.28	4.00	-42.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010770772	0	35	-1.0	-52.06	299.77	5.54	-46.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC	REAL300010770773	0	44	-1.0	-56.08	368.64	7.21	-48.87
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300010770774	0	46	-1.0	-44.48	351.70	4.51	-39.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010770775	0	32	-1.0	-41.24	308.88	2.87	-38.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300010770776	0	36	-1.0	-53.57	321.33	3.68	-49.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010770777	0	46	-1.0	-56.99	376.73	2.69	-54.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010770778	0	38	-1.0	-51.10	338.03	5.17	-45.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010770779	0	36	-1.0	-49.82	324.06	3.22	-46.60
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010770780	0	47	-1.0	-44.71	379.78	6.27	-38.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300010770781	0	33	-1.0	-45.21	308.74	2.09	-43.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300010770782	0	43	-1.0	-54.08	349.26	5.68	-48.40
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010770783	0	40	-1.0	-55.88	339.20	3.65	-52.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300010770784	0	35	-1.0	-55.77	311.71	2.99	-52.78
CCOCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770785	0	42	-1.0	-48.88	361.74	4.33	-44.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F	REAL300010770786	0	41	-1.0	-58.93	365.69	5.56	-53.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010770787	0	42	-1.0	-52.54	360.04	4.81	-47.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010770788	0	45	-1.0	-45.67	370.42	5.24	-40.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010770789	0	43	-1.0	-47.66	373.49	6.49	-41.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300010770790	0	35	-1.0	-58.93	305.39	4.61	-54.32
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770791	0	44	-1.0	-48.38	363.90	6.14	-42.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300010770792	0	38	-1.0	-44.76	341.96	6.22	-38.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010770793	0	37	-1.0	-54.75	340.94	4.90	-49.85
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010770794	0	31	-1.0	-59.62	307.53	1.87	-57.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010770795	0	33	-1.0	-62.79	306.72	3.93	-58.86
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010770796	0	36	-1.0	-44.99	321.77	3.12	-41.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010770797	0	32	-2.0	-109.60	292.97	2.37	-107.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010770797	1	33	-1.0	-55.82	294.55	1.66	-54.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010770798	0	38	-1.0	-53.80	356.86	4.79	-49.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010770799	0	31	-1.0	-41.92	302.45	2.27	-39.65
COCCN(CC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010770800	0	44	-1.0	-47.96	366.92	1.37	-46.59
CCN1N=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1Cl	REAL300010770801	0	35	-1.0	-53.18	321.75	2.40	-50.78
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010770802	0	36	-1.0	-47.67	335.58	5.36	-42.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300010770803	0	38	-1.0	-45.76	369.96	4.88	-40.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010770804	0	32	-1.0	-44.30	314.33	4.54	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010770805	0	34	-1.0	-43.04	321.31	2.78	-40.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010770806	0	37	-1.0	-66.00	336.43	4.64	-61.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010770807	0	37	-1.0	-52.66	325.05	4.12	-48.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010770808	0	34	-1.0	-43.04	321.31	2.78	-40.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300010770809	0	41	-1.0	-62.03	342.59	6.51	-55.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010770810	0	39	-1.0	-56.96	332.06	4.13	-52.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010770811	0	46	-1.0	-45.83	389.40	5.16	-40.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010770812	0	32	-1.0	-55.37	308.48	4.12	-51.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300010770813	0	38	-1.0	-62.42	347.96	-0.10	-62.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010770814	0	42	-1.0	-48.13	357.09	4.80	-43.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010770815	0	38	-1.0	-58.20	358.32	1.05	-57.15
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010770816	0	36	-1.0	-54.97	324.43	4.93	-50.04
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010770817	0	36	-1.0	-54.38	339.31	5.48	-48.90
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010770818	0	36	-1.0	-54.36	339.31	5.49	-48.87
COCCN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010770819	0	37	-1.0	-46.53	326.02	-2.42	-48.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010770820	0	35	-1.0	-58.07	312.91	4.05	-54.02
COCCN(CC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300010770821	0	38	-1.0	-60.17	316.48	4.02	-56.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010770822	0	34	-1.0	-52.65	315.68	3.03	-49.62
COCCN(CC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300010770823	0	40	-1.0	-48.67	337.66	0.83	-47.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300010770824	0	41	-1.0	-60.64	356.97	2.67	-57.97
COCCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010770825	0	49	-1.0	-59.99	360.51	6.48	-53.51
COCCN(CC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300010770826	0	42	-1.0	-60.13	338.95	3.77	-56.36
COCCN(CC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010770827	0	35	-1.0	-66.05	314.50	-0.71	-66.76
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010770828	0	40	-1.0	-48.38	321.81	4.08	-44.30
COCCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300010770829	0	40	-1.0	-56.38	353.30	0.45	-55.93
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010770830	0	45	-1.0	-59.54	355.87	4.23	-55.31
CCOC(=O)C1=NC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C2C=CC=CN12	REAL300010770831	0	44	-1.0	-60.01	385.16	5.63	-54.38
COCCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010770832	0	42	-1.0	-44.27	353.34	5.93	-38.34
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010770833	0	36	-1.0	-65.57	331.49	2.65	-62.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1	REAL300010770834	0	41	-1.0	-50.86	366.53	5.52	-45.34
COCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010770835	0	42	-1.0	-59.72	366.82	6.51	-53.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010770836	0	41	-1.0	-61.73	333.99	1.34	-60.39
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770837	0	41	-1.0	-64.09	351.62	5.24	-58.85
COCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010770838	0	45	-1.0	-57.98	351.06	5.60	-52.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010770839	0	36	-1.0	-56.11	328.06	4.92	-51.19
COCCN(CC(=O)[O-])S(=O)(=O)N1CCCCC1C(=O)OC	REAL300010770840	0	43	-1.0	-61.50	340.18	4.09	-57.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010770841	0	54	-1.0	-48.77	414.38	7.80	-40.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010770842	0	35	-1.0	-49.92	330.25	4.46	-45.46
COCCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300010770843	0	43	-1.0	-55.91	361.72	4.67	-51.24
COCCN(CC(=O)[O-])S(=O)(=O)NCC1=CC=CC(C)=C1	REAL300010770844	0	40	-1.0	-52.59	337.10	3.08	-49.51
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=NN1	REAL300010770845	0	38	-1.0	-54.54	346.48	1.47	-53.07
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770845	1	37	-2.0	-109.62	339.42	1.46	-108.16
CCOC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=N[N-]1	REAL300010770845	1	37	-2.0	-109.70	339.55	1.45	-108.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300010770846	0	37	-1.0	-58.31	332.35	1.52	-56.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1	REAL300010770847	0	35	-1.0	-51.70	338.83	2.89	-48.81
COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010770848	0	44	-1.0	-52.85	332.50	3.86	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010770849	0	43	-1.0	-45.30	363.02	5.42	-39.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010770850	0	36	-1.0	-55.55	329.15	4.59	-50.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300010770851	0	36	-1.0	-48.58	322.50	3.21	-45.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010770852	0	36	-1.0	-45.52	330.28	3.29	-42.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010770853	0	38	-1.0	-54.28	325.09	3.47	-50.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010770854	0	35	-1.0	-60.36	312.70	5.05	-55.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010770855	0	41	-1.0	-53.94	362.64	4.07	-49.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010770856	0	29	-1.0	-48.93	309.31	3.70	-45.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)N=C1	REAL300010770857	0	32	-1.0	-53.29	299.97	1.54	-51.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300010770858	0	45	-1.0	-57.27	371.78	5.88	-51.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010770859	0	49	-1.0	-55.30	402.11	5.50	-49.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010770860	0	35	-1.0	-54.12	339.44	5.00	-49.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010770861	0	37	-1.0	-54.89	325.55	4.41	-50.48
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300010770862	0	40	-1.0	-64.19	335.79	3.32	-60.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010770863	0	43	-1.0	-58.88	374.20	6.50	-52.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010770864	0	38	-1.0	-53.39	316.74	5.06	-48.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010770865	0	35	-1.0	-55.76	314.89	1.35	-54.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010770866	0	37	-1.0	-42.78	339.69	2.23	-40.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010770867	0	33	-1.0	-46.74	315.76	3.42	-43.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300010770868	0	34	-1.0	-44.01	303.88	2.68	-41.33
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770869	0	43	-1.0	-52.55	368.47	5.26	-47.29
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C2CC2)=N1	REAL300010770870	0	42	-1.0	-49.53	355.75	4.19	-45.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300010770871	0	36	-1.0	-46.41	315.78	2.69	-43.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010770872	0	38	-1.0	-54.83	346.36	6.36	-48.47
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300010770873	0	40	-1.0	-45.94	345.09	3.31	-42.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010770874	0	42	-1.0	-54.07	374.70	7.51	-46.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1	REAL300010770875	0	35	-1.0	-48.06	335.66	4.26	-43.80
CCC1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C1Br	REAL300010770876	0	38	-1.0	-44.28	343.84	5.52	-38.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300010770877	0	45	-1.0	-46.98	365.86	4.67	-42.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300010770878	0	29	-1.0	-43.66	293.78	3.16	-40.50
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300010770879	0	46	-1.0	-60.94	385.18	4.05	-56.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010770880	0	38	-1.0	-47.75	335.45	6.21	-41.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010770881	0	40	-1.0	-49.32	330.93	1.99	-47.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010770882	0	39	-1.0	-58.13	318.37	5.29	-52.84
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300010770883	0	43	-1.0	-54.85	336.08	3.65	-51.20
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(CO)CC1	REAL300010770884	0	41	-1.0	-56.58	332.27	0.02	-56.56
COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300010770885	0	46	-1.0	-51.71	395.32	4.08	-47.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010770886	0	47	-1.0	-53.56	376.02	4.15	-49.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300010770887	0	35	-1.0	-54.43	323.16	1.43	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300010770888	0	38	-1.0	-47.63	332.14	1.05	-46.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300010770889	0	41	-1.0	-57.35	351.75	3.67	-53.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300010770890	0	41	-1.0	-56.31	347.17	3.16	-53.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010770891	0	31	-1.0	-41.24	311.63	2.47	-38.77
COCCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010770892	0	42	-1.0	-55.29	335.00	1.22	-54.07
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300010770893	0	38	-1.0	-59.34	337.86	1.49	-57.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)C=CS1	REAL300010770894	0	30	-1.0	-59.82	292.47	3.06	-56.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010770895	0	35	-1.0	-66.49	327.46	3.15	-63.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010770896	0	30	-1.0	-53.87	299.45	1.42	-52.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)S1	REAL300010770897	0	36	-1.0	-51.80	333.37	1.67	-50.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1C	REAL300010770898	0	38	-1.0	-53.03	317.58	4.72	-48.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Cl	REAL300010770899	0	31	-1.0	-48.56	290.85	2.68	-45.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300010770900	0	36	-1.0	-57.57	329.91	4.17	-53.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC=C1OC	REAL300010770901	0	35	-1.0	-49.53	303.55	1.67	-47.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010770902	0	34	-1.0	-46.86	320.13	3.50	-43.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC(OC)=C1Cl	REAL300010770903	0	35	-1.0	-55.52	317.85	0.64	-54.88
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(CCOC)CC(=O)[O-])S1	REAL300010770904	0	41	-1.0	-56.23	363.83	2.59	-53.64
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(CCOC)CC(=O)[O-])S1	REAL300010770904	1	40	-2.0	-106.51	360.54	1.47	-105.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1NC(C)=O	REAL300010770905	0	39	-1.0	-57.96	341.54	1.60	-56.36
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010770906	0	36	-1.0	-44.17	348.28	5.79	-38.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010770907	0	37	-1.0	-54.98	339.22	5.57	-49.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010770908	0	31	-1.0	-57.31	303.87	2.42	-54.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010770909	0	43	-1.0	-56.97	359.29	4.03	-52.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300010770910	0	38	-1.0	-43.76	318.91	2.68	-41.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010770911	0	40	-1.0	-48.33	328.18	4.40	-43.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300010770912	0	40	-1.0	-47.70	351.61	3.00	-44.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010770913	0	35	-1.0	-65.52	324.79	5.63	-59.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010770914	0	39	-1.0	-45.02	330.19	4.34	-40.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010770915	0	39	-1.0	-53.85	338.68	4.85	-49.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010770916	0	34	-1.0	-56.34	315.08	2.57	-53.77
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300010770917	0	37	-1.0	-64.55	316.17	3.89	-60.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300010770918	0	41	-1.0	-51.32	342.14	4.11	-47.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010770919	0	39	-1.0	-46.30	344.66	5.84	-40.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010770920	0	34	-1.0	-53.17	311.17	2.62	-50.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010770921	0	32	-1.0	-51.09	290.88	4.27	-46.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=C1CCCN2	REAL300010770922	0	44	-1.0	-46.71	348.54	4.21	-42.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300010770923	0	46	-1.0	-48.12	394.40	7.20	-40.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010770924	0	39	-1.0	-47.46	346.33	5.88	-41.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010770925	0	29	-1.0	-55.93	286.45	2.93	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010770926	0	36	-1.0	-59.34	331.45	3.97	-55.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Br)C=C1C	REAL300010770927	0	34	-1.0	-44.09	308.47	2.75	-41.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010770928	0	37	-1.0	-62.43	323.41	4.11	-58.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CC(=O)OC	REAL300010770929	0	41	-1.0	-47.87	342.03	5.22	-42.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010770930	0	43	-1.0	-55.96	363.25	8.40	-47.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(C)C=C1C	REAL300010770931	0	37	-1.0	-46.98	312.73	3.03	-43.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010770932	0	35	-1.0	-58.11	318.58	4.45	-53.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010770933	0	31	-1.0	-50.74	300.15	2.39	-48.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010770934	0	34	-1.0	-48.89	308.75	3.13	-45.76
COCCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300010770935	0	35	-1.0	-53.42	314.72	3.25	-50.17
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010770936	0	40	-1.0	-47.32	342.49	-0.58	-47.90
COCCN(CC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300010770937	0	39	-1.0	-51.78	289.20	1.09	-50.69
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300010770938	0	38	-1.0	-59.57	320.94	3.00	-56.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=N1	REAL300010770939	0	34	-1.0	-56.56	319.33	2.83	-53.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010770940	0	31	-1.0	-43.58	311.25	3.32	-40.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010770941	0	36	-1.0	-61.94	334.17	2.94	-59.00
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010770942	0	36	-1.0	-54.97	324.43	4.93	-50.04
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010770943	0	36	-1.0	-54.59	334.75	5.38	-49.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010770944	0	41	-1.0	-57.90	364.89	3.21	-54.69
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=N1	REAL300010770945	0	35	-1.0	-49.55	304.18	1.74	-47.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010770946	0	39	-1.0	-47.25	333.44	5.21	-42.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300010770947	0	35	-1.0	-56.23	330.89	5.31	-50.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010770948	0	36	-1.0	-44.92	326.92	3.93	-40.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300010770949	0	39	-1.0	-50.04	329.14	3.81	-46.23
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(=O)OC	REAL300010770950	0	45	-1.0	-52.25	388.73	5.27	-46.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1	REAL300010770951	0	45	-1.0	-59.64	378.40	6.79	-52.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=N1	REAL300010770952	0	35	-1.0	-56.85	312.31	1.01	-55.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300010770953	0	38	-1.0	-53.68	345.55	1.93	-51.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC	REAL300010770954	0	38	-1.0	-58.64	353.33	5.78	-52.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC=C1C(=O)OC	REAL300010770955	0	37	-1.0	-53.32	319.03	3.09	-50.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC	REAL300010770956	0	38	-1.0	-55.66	330.22	5.63	-50.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010770957	0	37	-1.0	-57.15	320.57	4.09	-53.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1I	REAL300010770958	0	32	-1.0	-45.00	291.80	4.88	-40.12
CCOC1=CC=CN=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300010770959	0	38	-1.0	-54.02	327.85	3.11	-50.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1	REAL300010770960	0	43	-1.0	-54.77	380.37	4.59	-50.18
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300010770961	0	40	-1.0	-55.83	337.41	5.25	-50.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=NS1	REAL300010770962	0	28	-1.0	-41.26	286.70	2.82	-38.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NC(C)=C1	REAL300010770963	0	37	-1.0	-46.08	322.84	3.94	-42.14
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300010770964	0	34	-1.0	-47.16	297.49	2.00	-45.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010770965	0	34	-1.0	-55.52	320.15	2.07	-53.45
COCCN(CC(=O)[O-])C(=O)N1CCC(C(F)(F)F)CC1	REAL300010770966	0	39	-1.0	-60.37	310.13	6.18	-54.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1C	REAL300010770967	0	34	-1.0	-42.36	308.02	2.89	-39.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010770968	0	34	-1.0	-46.84	306.20	3.18	-43.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300010770969	0	32	-1.0	-42.98	302.85	3.77	-39.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010770970	0	34	-1.0	-54.33	315.18	3.41	-50.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010770971	0	39	-1.0	-59.55	353.70	4.46	-55.09
COCCN(CC(=O)[O-])C(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C	REAL300010770972	0	49	-1.0	-47.66	340.46	7.69	-39.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300010770973	0	45	-1.0	-61.98	368.67	5.71	-56.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1O	REAL300010770974	0	36	-1.0	-58.78	309.56	2.27	-56.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1[O-]	REAL300010770974	1	35	-2.0	-118.42	307.98	2.98	-115.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010770975	0	36	-2.0	-115.56	330.46	3.54	-112.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010770975	1	37	-1.0	-58.00	331.99	2.70	-55.30
CC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010770976	0	31	-1.0	-46.72	293.52	5.13	-41.59
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010770977	0	25	-1.0	-42.64	254.16	2.79	-39.85
CC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010770978	0	25	-1.0	-44.09	250.61	2.96	-41.13
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010770979	0	34	-1.0	-43.47	309.47	3.76	-39.71
CC(NS(=O)(=O)C1=CC(Br)=CC=C1Br)C(=O)[O-]	REAL300010770980	0	25	-1.0	-40.47	271.85	3.58	-36.89
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010770981	0	31	-1.0	-46.93	288.34	2.91	-44.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010770982	0	41	-1.0	-50.44	359.46	-0.35	-50.79
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010770983	0	42	-1.0	-47.90	369.61	1.88	-46.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010770984	0	36	-1.0	-48.01	328.39	0.17	-47.84
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010770985	0	35	-1.0	-47.66	315.05	1.18	-46.48
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010770986	0	27	-1.0	-40.53	275.47	3.47	-37.06
CC(NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010770987	0	25	-1.0	-41.10	268.53	3.41	-37.69
CC(NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010770988	0	25	-1.0	-40.32	274.20	3.98	-36.34
CC([N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl)C(=O)[O-]	REAL300010770988	1	24	-2.0	-112.22	273.32	3.95	-108.27
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010770989	0	29	-1.0	-46.58	280.92	2.05	-44.53
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010770990	0	36	-1.0	-53.03	316.66	0.77	-52.26
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010770991	0	31	-1.0	-39.54	310.66	4.19	-35.35
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C(=O)OC)=C1	REAL300010770992	0	37	-1.0	-50.40	340.61	3.38	-47.02
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010770993	0	37	-1.0	-50.94	332.74	4.38	-46.56
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010770994	0	28	-1.0	-42.53	272.28	4.17	-38.36
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010770995	0	28	-1.0	-41.50	272.33	3.35	-38.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1NC(C)=O	REAL300010770996	0	36	-1.0	-55.97	315.10	0.39	-55.58
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010770997	0	29	-1.0	-40.83	278.70	1.97	-38.86
CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010770998	0	34	-1.0	-47.48	293.84	2.02	-45.46
CC(NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010770999	0	22	-1.0	-40.54	247.16	1.91	-38.63
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1Cl	REAL300010771000	0	31	-1.0	-42.14	288.24	4.54	-37.60
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010771331	0	32	-1.0	-47.49	297.02	2.72	-44.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771332	0	40	-1.0	-47.83	329.50	3.47	-44.36
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771333	0	33	-1.0	-45.66	306.72	4.39	-41.27
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771334	0	33	-1.0	-44.49	293.14	4.27	-40.22
CC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010771335	0	30	-1.0	-49.59	289.68	2.58	-47.01
CC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010771336	0	25	-1.0	-40.88	260.51	3.28	-37.60
COC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771337	0	29	-1.0	-45.75	281.62	2.01	-43.74
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN1C	REAL300010771338	0	35	-1.0	-52.69	313.94	3.14	-49.55
CC(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010771339	0	38	-1.0	-58.55	341.67	3.19	-55.36
CC(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010771340	0	37	-1.0	-49.00	315.47	3.52	-45.48
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010771341	0	32	-1.0	-47.16	299.42	3.39	-43.77
CSC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771342	0	29	-1.0	-46.04	286.22	3.55	-42.49
CC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010771343	0	35	-1.0	-49.16	315.45	-1.25	-50.41
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300010771344	0	34	-1.0	-51.06	307.00	3.04	-48.02
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010771345	0	40	-1.0	-49.40	344.53	2.53	-46.87
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771346	0	43	0.0	-76.77	347.38	3.24	-73.53
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771347	0	28	-1.0	-40.37	270.21	3.72	-36.65
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771348	0	31	-1.0	-42.29	311.14	3.66	-38.63
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771348	1	30	-2.0	-114.98	305.05	3.47	-111.51
CC(NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771349	0	25	-1.0	-38.41	283.31	3.87	-34.54
CC([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771349	1	24	-2.0	-109.39	277.65	3.67	-105.72
CC(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010771350	0	25	-1.0	-43.39	261.15	2.87	-40.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300010771351	0	52	-1.0	-47.36	418.41	6.60	-40.76
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771352	0	39	-1.0	-52.38	353.93	3.25	-49.13
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010771353	0	28	-1.0	-49.03	277.39	1.25	-47.78
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010771354	0	40	-1.0	-49.57	335.45	2.80	-46.77
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010771355	0	31	-1.0	-46.33	298.03	4.98	-41.35
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C)C(=O)[O-])S1	REAL300010771356	0	27	-2.0	-108.95	296.60	2.38	-106.57
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771356	1	28	-1.0	-38.25	298.86	2.41	-35.84
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771357	0	33	-1.0	-46.70	299.90	0.39	-46.31
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771359	0	28	-1.0	-42.83	286.30	3.60	-39.23
COC1=C(F)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771360	0	31	-1.0	-41.89	296.29	2.99	-38.90
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771361	0	35	-1.0	-42.81	322.57	1.41	-41.40
CC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010771362	0	36	-1.0	-50.58	331.56	3.99	-46.59
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010771363	0	43	-1.0	-52.87	374.18	4.75	-48.12
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010771364	0	40	-1.0	-52.19	354.95	3.54	-48.65
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010771365	0	33	-1.0	-47.37	310.27	1.90	-45.47
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010771366	0	28	-1.0	-42.93	278.35	3.27	-39.66
CC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771367	0	28	-1.0	-46.07	273.78	3.36	-42.71
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771368	0	32	-1.0	-49.67	305.29	1.73	-47.94
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010771369	0	36	-1.0	-55.49	310.49	2.54	-52.95
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010771370	0	37	-1.0	-51.60	322.93	2.48	-49.12
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771371	0	31	-1.0	-43.65	313.28	0.29	-43.36
CC(NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010771372	0	25	-1.0	-43.64	279.66	3.74	-39.90
CC([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010771372	1	24	-2.0	-111.73	276.12	3.63	-108.10
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010771373	0	33	-1.0	-45.73	300.29	3.34	-42.39
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771374	0	35	-1.0	-42.81	322.57	1.41	-41.40
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300010771375	0	35	-1.0	-46.71	317.34	2.64	-44.07
COC(=O)C1=C(S(=O)(=O)NC(C)C(=O)[O-])C(C)=CS1	REAL300010771376	0	31	-1.0	-49.70	288.73	3.47	-46.23
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771377	0	36	-1.0	-53.29	322.19	2.22	-51.07
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771378	0	39	-1.0	-50.01	351.29	3.47	-46.54
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010771379	0	39	-1.0	-50.00	347.01	5.52	-44.48
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771380	0	33	-1.0	-46.86	306.40	4.38	-42.48
CC(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010771381	0	25	-1.0	-40.35	275.96	3.34	-37.01
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010771381	1	24	-2.0	-112.53	270.03	3.17	-109.36
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C2O1	REAL300010771382	0	40	-1.0	-46.75	354.78	4.76	-41.99
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771383	0	37	-1.0	-44.68	325.41	4.70	-39.98
CC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010771384	0	25	-1.0	-44.19	267.25	3.26	-40.93
CC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010771384	1	24	-2.0	-111.73	263.34	3.15	-108.58
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300010771385	0	46	-1.0	-53.49	378.75	2.78	-50.71
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010771386	0	44	-1.0	-53.29	363.14	-0.01	-53.30
CC1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010771387	0	33	-1.0	-52.98	288.40	5.16	-47.82
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010771388	0	31	-1.0	-43.98	293.70	3.97	-40.01
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771389	0	35	-1.0	-39.11	319.93	5.17	-33.94
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771390	0	28	-1.0	-38.49	276.00	3.78	-34.71
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771391	0	33	-1.0	-42.04	293.11	4.27	-37.77
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010771392	0	25	-1.0	-43.97	265.36	3.41	-40.56
COC1=C(S(=O)(=O)NC(C)C(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010771393	0	34	-1.0	-44.88	328.10	4.13	-40.75
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771394	0	35	-1.0	-39.11	319.93	5.17	-33.94
CC(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010771395	0	25	-1.0	-43.54	267.14	3.16	-40.38
CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010771396	0	36	-1.0	-45.06	327.33	1.92	-43.14
CC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010771397	0	24	-2.0	-116.26	249.48	2.43	-113.83
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771398	0	31	-1.0	-47.13	290.33	2.76	-44.37
CC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010771399	0	39	-1.0	-46.48	328.70	4.42	-42.06
CC(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010771400	0	26	-1.0	-44.79	271.51	2.97	-41.82
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771401	0	27	-1.0	-37.71	287.85	3.84	-33.87
CC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771401	1	26	-2.0	-106.41	282.20	3.64	-102.77
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771402	0	32	-1.0	-41.97	294.62	2.97	-39.00
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771403	0	31	-1.0	-39.36	309.03	2.86	-36.50
COC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300010771404	0	33	-1.0	-47.02	303.76	1.93	-45.09
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010771405	0	29	-1.0	-46.87	276.49	1.72	-45.15
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010771406	0	28	-1.0	-44.15	275.10	3.15	-41.00
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771407	0	36	-1.0	-49.05	324.72	-0.86	-49.91
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C2S1	REAL300010771408	0	37	-1.0	-48.23	345.69	5.12	-43.11
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010771409	0	31	-1.0	-49.70	287.64	1.47	-48.23
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010771410	0	30	-1.0	-53.12	289.51	-2.22	-55.34
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771411	0	31	-1.0	-46.84	294.60	2.93	-43.91
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771412	0	33	-1.0	-55.34	307.95	4.00	-51.34
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Br)=C1	REAL300010771413	0	29	-1.0	-44.15	280.19	2.25	-41.90
CC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010771414	0	31	-1.0	-42.23	301.03	3.35	-38.88
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771415	0	31	-1.0	-48.83	282.11	3.30	-45.53
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010771416	0	25	-1.0	-40.59	267.28	3.47	-37.12
COC1=CC2=C(C=C1S(=O)(=O)NC(C)C(=O)[O-])OCC(=O)N2	REAL300010771417	0	35	-1.0	-46.32	313.30	-0.79	-47.11
CC(NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010771418	0	27	-1.0	-39.38	280.38	3.31	-36.07
CC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010771418	1	26	-2.0	-106.44	274.56	3.14	-103.30
CC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010771419	0	25	-1.0	-40.16	259.30	3.44	-36.72
CC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010771419	1	24	-2.0	-111.46	258.42	3.42	-108.04
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010771420	0	28	-1.0	-40.22	289.34	3.96	-36.26
CC(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010771421	0	25	-1.0	-48.19	257.90	2.78	-45.41
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OC	REAL300010771422	0	35	-1.0	-47.95	313.09	2.79	-45.16
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771423	0	25	-1.0	-40.82	267.46	3.47	-37.35
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010771424	0	28	-1.0	-43.10	277.41	3.51	-39.59
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010771425	0	29	-1.0	-50.90	282.11	-0.62	-51.52
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771426	0	34	-1.0	-52.29	299.92	4.64	-47.65
CC(NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010771427	0	29	-1.0	-50.64	286.67	-0.51	-51.15
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010771428	0	29	-1.0	-46.56	287.68	3.26	-43.30
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771429	0	32	-1.0	-45.11	302.16	2.78	-42.33
CC(NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010771430	0	28	-1.0	-45.48	292.09	3.61	-41.87
CC(NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010771431	0	26	-1.0	-50.05	271.99	3.01	-47.04
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771432	0	31	-1.0	-39.68	288.43	4.03	-35.65
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771433	0	42	-1.0	-51.37	367.62	1.81	-49.56
CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010771434	0	31	-1.0	-48.23	295.46	3.77	-44.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771435	0	35	-1.0	-57.47	320.87	-0.54	-58.01
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Br)C(=O)[O-]	REAL300010771436	0	31	-1.0	-47.53	311.31	0.49	-47.04
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2CC1	REAL300010771437	0	42	-1.0	-55.60	344.24	4.06	-51.54
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010771438	0	34	-1.0	-44.59	317.65	3.64	-40.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1OC	REAL300010771439	0	35	-1.0	-46.76	328.00	3.84	-42.92
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771440	0	34	-1.0	-48.07	309.47	4.91	-43.16
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771441	0	34	-1.0	-47.68	305.30	4.62	-43.06
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771442	0	35	-1.0	-48.42	312.59	1.18	-47.24
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771443	0	39	-1.0	-52.07	343.99	3.44	-48.63
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010771444	0	34	-1.0	-41.80	328.84	4.25	-37.55
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010771444	1	33	-2.0	-113.70	323.05	4.07	-109.63
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1OC	REAL300010771445	0	36	-1.0	-51.22	329.65	2.02	-49.20
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1C	REAL300010771446	0	37	-1.0	-46.89	329.58	4.30	-42.59
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771447	0	39	-1.0	-53.13	344.23	0.37	-52.76
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771448	0	36	-1.0	-52.38	315.25	1.65	-50.73
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1Br	REAL300010771449	0	34	-1.0	-41.76	332.72	4.32	-37.44
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(F)C=C1Br	REAL300010771449	1	33	-2.0	-113.65	326.55	4.16	-109.49
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771450	0	38	-1.0	-54.42	336.71	3.52	-50.90
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C	REAL300010771451	0	37	-1.0	-47.48	323.45	4.20	-43.28
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771452	0	37	-1.0	-47.90	331.65	4.53	-43.37
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771453	0	31	-1.0	-45.86	306.18	4.92	-40.94
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771453	1	30	-2.0	-123.53	301.72	4.70	-118.83
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010771454	0	28	-1.0	-42.81	273.14	4.21	-38.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771455	0	34	-1.0	-51.17	314.17	3.75	-47.42
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010771456	0	35	-1.0	-46.29	307.02	5.58	-40.71
CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010771457	0	28	-1.0	-50.32	270.84	3.36	-46.96
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN1C	REAL300010771458	0	37	-1.0	-51.15	333.16	3.30	-47.85
CC(NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010771459	0	31	-1.0	-45.75	303.24	0.11	-45.64
CC(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771460	0	29	-1.0	-46.21	279.12	3.01	-43.20
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C(Br)N1C	REAL300010771461	0	28	-1.0	-51.49	270.82	1.43	-50.06
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(Br)N1C	REAL300010771461	1	27	-2.0	-128.82	269.87	1.50	-127.32
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771462	0	38	-1.0	-53.37	324.83	3.01	-50.36
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010771463	0	28	-2.0	-94.14	277.08	1.71	-92.43
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010771463	1	29	-1.0	-43.62	282.64	0.95	-42.67
CC(NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010771464	0	42	-1.0	-52.19	377.12	2.61	-49.58
CC(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010771465	0	26	-1.0	-40.18	280.32	3.16	-37.02
CC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010771465	1	25	-2.0	-109.81	274.38	2.99	-106.82
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771466	0	36	-1.0	-48.75	331.41	1.56	-47.19
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010771467	0	40	-1.0	-47.67	343.69	4.91	-42.76
CC(NS(=O)(=O)C1=CC(Cl)=C(OCC(=O)N(C)C)C(Cl)=C1)C(=O)[O-]	REAL300010771468	0	39	-1.0	-49.23	375.02	4.12	-45.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771469	0	37	-1.0	-50.75	336.52	1.38	-49.37
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771470	0	36	-1.0	-44.62	351.81	2.82	-41.80
CCOC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(Br)=C1C	REAL300010771471	0	37	-1.0	-43.83	341.34	4.73	-39.10
CC(NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010771472	0	24	-1.0	-39.56	264.21	1.35	-38.21
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771473	0	32	-1.0	-46.37	302.66	2.32	-44.05
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771474	0	34	-1.0	-42.60	322.52	4.69	-37.91
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010771475	0	31	-1.0	-40.98	287.29	3.68	-37.30
CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010771476	0	36	-1.0	-42.70	338.10	5.54	-37.16
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771477	0	34	-1.0	-48.03	309.78	3.60	-44.43
CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010771478	0	31	-1.0	-44.05	293.80	4.12	-39.93
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010771479	0	25	-1.0	-40.04	265.96	2.40	-37.64
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1I	REAL300010771480	0	28	-1.0	-46.72	276.36	3.71	-43.01
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771481	0	38	-1.0	-51.28	340.71	2.46	-48.82
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771482	0	41	-1.0	-51.01	362.54	3.38	-47.63
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN=C1C	REAL300010771483	0	33	-1.0	-44.37	297.09	1.44	-42.93
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010771484	0	29	-1.0	-47.49	283.23	1.98	-45.51
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771485	0	34	-1.0	-47.28	324.47	4.17	-43.11
CC(NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010771486	0	41	-1.0	-57.62	363.40	3.96	-53.66
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010771487	0	27	-1.0	-43.23	282.90	2.04	-41.19
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010771488	0	26	-1.0	-47.16	259.49	1.61	-45.55
CC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010771489	0	28	-1.0	-48.40	272.20	1.13	-47.27
CC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010771489	1	27	-2.0	-119.42	268.15	0.93	-118.49
CC(NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771490	0	27	-1.0	-43.45	274.23	4.25	-39.20
CC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010771490	1	26	-2.0	-116.35	269.27	4.17	-112.18
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1C	REAL300010771491	0	34	-1.0	-47.00	307.74	3.36	-43.64
CC1=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010771492	0	33	-1.0	-44.53	309.10	3.55	-40.98
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(C)C)=C1	REAL300010771493	0	52	-1.0	-44.26	393.86	8.22	-36.04
CC(NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010771494	0	30	-1.0	-51.30	286.64	3.19	-48.11
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771495	0	37	-1.0	-44.64	332.64	4.50	-40.14
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771496	0	32	-1.0	-45.43	299.06	2.39	-43.04
COC1=CC=C2C=C(S(=O)(=O)NC(C)C(=O)[O-])CCC2=C1	REAL300010771497	0	37	-1.0	-44.95	317.84	3.92	-41.03
CC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771498	0	28	-1.0	-45.03	280.98	4.01	-41.02
CC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771498	1	27	-2.0	-123.09	279.70	4.10	-118.99
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771499	0	39	-1.0	-51.66	356.46	0.66	-51.00
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771499	1	38	-2.0	-102.85	352.96	0.76	-102.09
CC(NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010771500	0	28	-1.0	-42.12	283.12	3.56	-38.56
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010771501	0	34	-1.0	-52.74	316.67	0.42	-52.32
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771502	0	34	-1.0	-41.91	317.40	4.20	-37.71
CC(NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010771503	0	40	-1.0	-51.26	354.46	2.72	-48.54
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771504	0	38	-1.0	-48.62	328.84	2.52	-46.10
CCC1=CC(CC)=C(S(=O)(=O)NC(C)C(=O)[O-])C(CC)=C1	REAL300010771505	0	43	-1.0	-42.99	331.45	6.89	-36.10
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C12	REAL300010771506	0	44	-1.0	-46.88	372.57	2.85	-44.03
CC(NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010771507	0	27	-1.0	-47.55	278.97	2.00	-45.55
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771508	0	33	-1.0	-45.36	308.05	1.86	-43.50
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010771509	0	33	-1.0	-46.29	301.99	0.62	-45.67
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010771510	0	30	-1.0	-52.99	285.31	-2.97	-55.96
CC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010771511	0	36	-1.0	-55.32	305.60	-0.70	-56.02
CC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010771512	0	28	-1.0	-48.25	269.36	-0.30	-48.55
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771513	0	38	-1.0	-45.93	330.67	3.38	-42.55
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010771514	0	34	-1.0	-45.12	304.87	5.21	-39.91
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010771515	0	29	-1.0	-47.19	276.47	2.26	-44.93
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010771516	0	29	-1.0	-46.98	286.80	2.71	-44.27
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771517	0	34	-1.0	-50.76	313.24	3.58	-47.18
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)C(=O)[O-]	REAL300010771518	0	38	-1.0	-53.81	322.16	4.04	-49.77
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010771519	0	28	-1.0	-49.11	288.61	3.88	-45.23
CC(NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010771520	0	28	-1.0	-42.32	289.41	3.98	-38.34
CC(NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010771521	0	28	-1.0	-43.75	270.40	1.19	-42.56
CCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010771522	0	33	-1.0	-45.19	295.28	3.99	-41.20
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771523	0	41	-1.0	-51.09	336.36	4.28	-46.81
CC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010771524	0	32	-1.0	-46.44	308.10	4.55	-41.89
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300010771525	0	34	-1.0	-46.38	316.46	3.86	-42.52
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771526	0	34	-1.0	-46.81	324.32	3.74	-43.07
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300010771527	0	34	-1.0	-47.74	317.07	3.56	-44.18
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1F	REAL300010771528	0	31	-1.0	-48.63	307.28	3.32	-45.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771528	1	30	-2.0	-122.54	303.28	3.21	-119.33
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771529	0	34	-1.0	-46.64	314.77	3.56	-43.08
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300010771530	0	31	-1.0	-42.78	288.41	4.07	-38.71
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010771531	0	40	-1.0	-45.35	345.70	-0.13	-45.48
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010771532	0	32	-1.0	-54.47	296.18	-0.06	-54.53
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])SC(Br)=C1	REAL300010771533	0	25	-1.0	-40.51	263.33	2.76	-37.75
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010771534	0	34	-1.0	-50.62	293.80	2.49	-48.13
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771535	0	35	-1.0	-49.07	307.84	1.18	-47.89
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771536	0	29	-1.0	-41.75	289.60	2.64	-39.11
COC1=CC2=C(C=C1S(=O)(=O)NC(C)C(=O)[O-])C(=O)NCCC2	REAL300010771537	0	40	-1.0	-57.71	336.17	1.01	-56.70
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)C(=O)[O-])S2)C1	REAL300010771538	0	36	-1.0	-46.56	323.37	2.63	-43.93
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010771539	0	32	-1.0	-45.17	304.41	4.52	-40.65
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010771540	0	28	-1.0	-42.63	279.09	3.54	-39.09
CC(NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010771541	0	29	-1.0	-44.37	290.60	-0.34	-44.71
CC([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010771541	1	28	-2.0	-113.06	284.65	-0.51	-113.57
CC(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010771542	0	25	-1.0	-43.16	269.12	3.21	-39.95
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771543	0	50	-1.0	-43.21	413.14	7.09	-36.12
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771544	0	40	-1.0	-50.09	342.69	4.51	-45.58
CC(NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771545	0	25	-1.0	-37.73	282.49	3.93	-33.80
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771545	1	24	-2.0	-107.92	276.55	3.74	-104.18
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771546	0	35	-1.0	-44.65	327.10	4.35	-40.30
CC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010771547	0	25	-1.0	-43.36	257.79	2.76	-40.60
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300010771548	0	31	-1.0	-47.13	290.33	2.76	-44.37
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010771549	0	39	-1.0	-49.15	339.02	5.15	-44.00
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010771550	0	39	-1.0	-47.64	348.25	5.44	-42.20
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C2)=N1	REAL300010771551	0	37	-1.0	-45.73	326.94	2.22	-43.51
COC(CS(=O)(=O)NC(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010771552	0	35	-1.0	-43.99	314.17	3.30	-40.69
CC(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010771553	0	37	-1.0	-49.79	315.12	3.52	-46.27
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300010771554	0	33	-1.0	-46.97	312.00	0.92	-46.05
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)C(=O)[O-])C=CC=C12	REAL300010771555	0	37	-1.0	-45.85	325.23	5.07	-40.78
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771556	0	36	-1.0	-48.41	317.56	1.26	-47.15
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1F	REAL300010771557	0	31	-1.0	-48.65	296.82	2.90	-45.75
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771557	1	30	-2.0	-121.80	292.96	2.77	-119.03
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(Cl)C=C21	REAL300010771558	0	36	-1.0	-55.39	325.79	3.83	-51.56
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771559	0	38	-1.0	-45.89	322.86	3.83	-42.06
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300010771560	0	44	-1.0	-46.39	362.47	5.13	-41.26
CC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010771561	0	28	-1.0	-53.33	283.52	2.03	-51.30
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010771562	0	33	-1.0	-45.98	297.21	4.69	-41.29
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010771563	0	38	-1.0	-43.76	336.86	4.50	-39.26
CCC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=CN1CC1CC1	REAL300010771564	0	38	-1.0	-59.70	328.31	4.14	-55.56
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771565	0	31	-1.0	-47.56	299.51	4.33	-43.23
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2C1	REAL300010771566	0	36	-1.0	-53.64	314.83	2.58	-51.06
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010771567	0	28	-1.0	-40.58	275.22	0.82	-39.76
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010771568	0	36	-1.0	-45.13	333.28	6.26	-38.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771569	0	28	-1.0	-38.83	276.16	3.77	-35.06
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010771570	0	35	-1.0	-50.03	300.17	5.62	-44.41
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010771571	0	45	-1.0	-47.50	384.12	6.87	-40.63
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771572	0	31	-1.0	-44.27	294.24	4.13	-40.14
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300010771573	0	32	-1.0	-52.55	299.03	2.72	-49.83
CC(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010771574	0	31	-1.0	-55.87	292.82	0.56	-55.31
CC(NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010771575	0	32	-1.0	-49.40	308.25	1.47	-47.93
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(C)C=C1OC	REAL300010771576	0	38	-1.0	-42.97	319.90	3.90	-39.07
CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771577	0	31	-1.0	-40.55	303.91	4.05	-36.50
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771578	0	33	-1.0	-48.46	301.52	3.20	-45.26
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771579	0	28	-1.0	-38.55	285.13	4.19	-34.36
CC(NS(=O)(=O)C1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300010771580	0	25	-1.0	-42.87	273.45	3.33	-39.54
CC(NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010771581	0	32	-1.0	-41.47	304.97	2.11	-39.36
CC1=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C2NC1=O	REAL300010771582	0	34	-1.0	-45.30	303.76	1.91	-43.39
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010771583	0	34	-1.0	-57.17	316.08	3.87	-53.30
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010771584	0	30	-1.0	-43.79	283.77	3.46	-40.33
CC(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010771585	0	31	-1.0	-41.45	290.98	3.43	-38.02
CC(NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010771586	0	25	-1.0	-45.55	255.48	0.28	-45.27
CC(NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771587	0	34	-1.0	-39.01	329.53	4.44	-34.57
CC(NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010771588	0	25	-1.0	-45.00	260.97	0.71	-44.29
COC(=O)C1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(OC)C=C1F	REAL300010771589	0	35	-1.0	-44.70	321.81	2.66	-42.04
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771590	0	35	-1.0	-51.29	307.61	3.01	-48.28
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300010771591	0	41	-1.0	-46.54	340.74	4.34	-42.20
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010771592	0	37	-1.0	-46.24	309.00	4.34	-41.90
CC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010771593	0	44	-1.0	-43.26	357.83	6.71	-36.55
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771594	0	30	-1.0	-50.83	294.25	2.07	-48.76
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771595	0	28	-1.0	-43.17	281.45	-0.04	-43.21
CC(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010771596	0	30	-1.0	-48.59	286.35	2.95	-45.64
CC(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010771597	0	27	-1.0	-44.44	270.57	1.97	-42.47
CC(NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010771598	0	35	-1.0	-50.09	323.89	2.94	-47.15
CC(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010771599	0	24	-1.0	-44.73	260.47	0.56	-44.17
CC(NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010771600	0	27	-1.0	-44.17	286.21	2.27	-41.90
CC(NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010771601	0	36	-1.0	-57.94	315.67	-1.32	-59.26
CC(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010771602	0	26	-1.0	-42.13	278.60	1.31	-40.82
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771603	0	34	-1.0	-44.96	310.93	3.56	-41.40
CC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010771604	0	27	-2.0	-121.56	275.99	3.17	-118.39
CC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010771604	1	28	-1.0	-47.48	279.65	3.29	-44.19
CC(NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010771605	0	28	-1.0	-42.76	266.64	0.94	-41.82
CC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010771605	1	27	-2.0	-113.78	261.57	0.66	-113.12
CC(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010771606	0	22	-1.0	-46.42	241.41	1.70	-44.72
CC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010771607	0	28	-1.0	-42.09	264.63	0.98	-41.11
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771608	0	43	-1.0	-51.83	373.53	3.89	-47.94
CC(NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010771609	0	25	-1.0	-46.96	259.50	0.41	-46.55
CC(NS(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2)C(=O)[O-]	REAL300010771610	0	36	-1.0	-45.97	326.23	3.07	-42.90
CC(NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010771611	0	39	-1.0	-44.09	338.71	3.37	-40.72
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771612	0	28	-1.0	-38.78	285.27	4.18	-34.60
CCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300010771613	0	47	-1.0	-46.07	383.73	5.92	-40.15
CC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010771614	0	36	-1.0	-51.41	320.72	2.84	-48.57
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010771615	0	47	-1.0	-43.82	376.70	5.88	-37.94
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1CC	REAL300010771616	0	41	-1.0	-43.66	347.40	4.68	-38.98
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771617	0	36	-1.0	-48.34	336.40	2.24	-46.10
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771618	0	39	-1.0	-59.88	332.35	1.80	-58.08
CC(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010771619	0	28	-1.0	-44.04	287.52	3.91	-40.13
CC(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010771620	0	28	-1.0	-44.79	278.53	3.50	-41.29
CC(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010771621	0	35	-1.0	-55.51	312.18	4.01	-51.50
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300010771622	0	31	-1.0	-49.10	290.91	4.00	-45.10
COC1=CC=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C1F	REAL300010771623	0	29	-1.0	-47.50	280.23	2.37	-45.13
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1F	REAL300010771623	1	28	-2.0	-126.59	277.12	2.26	-124.33
CCOC(=O)C1=C(S(=O)(=O)NC(C)C(=O)[O-])N(C)N=C1	REAL300010771624	0	34	-1.0	-45.11	299.82	2.12	-42.99
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(=O)OC	REAL300010771625	0	37	-1.0	-49.86	336.45	3.75	-46.11
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771626	0	38	-1.0	-44.06	335.63	2.97	-41.09
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771627	0	41	-1.0	-47.80	345.14	4.79	-43.01
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300010771628	0	45	-1.0	-54.75	357.79	4.56	-50.19
CC(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010771629	0	39	-1.0	-44.28	328.29	2.25	-42.03
CC(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010771630	0	40	-1.0	-58.12	343.36	4.84	-53.28
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C21	REAL300010771631	0	39	-1.0	-62.92	331.65	4.04	-58.88
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300010771632	0	40	-1.0	-43.67	361.72	6.03	-37.64
COC(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010771633	0	37	-1.0	-46.59	324.87	5.10	-41.49
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771634	0	38	-1.0	-54.94	336.84	3.49	-51.45
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771635	0	35	-1.0	-50.53	307.34	3.03	-47.50
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010771636	0	36	-1.0	-47.25	302.20	0.33	-46.92
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010771637	0	31	-1.0	-44.98	300.35	3.12	-41.86
CC(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010771638	0	31	-1.0	-44.33	283.57	-0.60	-44.93
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300010771639	0	50	-1.0	-46.21	405.47	6.69	-39.52
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771640	0	41	-1.0	-43.08	335.03	4.29	-38.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771641	0	35	-1.0	-45.67	308.53	3.64	-42.03
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300010771642	0	48	-1.0	-48.39	396.22	4.56	-43.83
CC1=C(Br)C(S(=O)(=O)NC(C)C(=O)[O-])=C(C)S1	REAL300010771643	0	28	-1.0	-46.74	273.00	3.42	-43.32
CC1=CC(Cl)=C(S(=O)(=O)NC(C)C(=O)[O-])C(Br)=C1	REAL300010771644	0	28	-1.0	-44.25	277.77	4.18	-40.07
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771645	0	37	-1.0	-41.18	343.03	5.10	-36.08
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1Br	REAL300010771646	0	31	-1.0	-49.84	300.41	3.45	-46.39
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C21	REAL300010771647	0	42	-1.0	-59.70	339.72	4.12	-55.58
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010771648	0	31	-1.0	-47.46	284.69	2.81	-44.65
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C21	REAL300010771649	0	39	-1.0	-49.28	327.98	3.58	-45.70
CC(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010771650	0	25	-1.0	-40.81	255.42	0.33	-40.48
CC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010771651	0	29	-1.0	-47.57	289.21	2.77	-44.80
CC(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010771652	0	28	-1.0	-53.80	278.96	1.92	-51.88
CC(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010771653	0	34	-1.0	-53.09	301.13	-0.62	-53.71
CC(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010771654	0	26	-1.0	-44.86	271.30	2.99	-41.87
CC(NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771655	0	41	-1.0	-47.51	377.05	3.14	-44.37
CC(NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771655	1	40	-2.0	-83.89	374.10	1.56	-82.33
COC1=CC=C(F)C(S(=O)(=O)NC(C)C(=O)[O-])=C1OC	REAL300010771656	0	33	-1.0	-49.40	292.64	2.41	-46.99
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771657	0	27	-2.0	-110.43	287.28	1.39	-109.04
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771657	1	28	-1.0	-44.13	290.50	1.55	-42.58
CC(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010771658	0	22	-1.0	-40.57	253.71	2.39	-38.18
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010771659	0	38	-1.0	-46.94	321.36	3.07	-43.87
CC(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010771660	0	29	-1.0	-45.71	281.22	3.93	-41.78
CC(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010771661	0	29	-1.0	-50.48	289.30	2.77	-47.71
CC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010771662	0	25	-2.0	-100.33	273.16	1.81	-98.52
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300010771663	0	31	-1.0	-41.22	288.33	4.32	-36.90
CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010771664	0	31	-1.0	-41.68	302.26	3.34	-38.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771665	0	43	-1.0	-43.06	345.81	6.18	-36.88
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010771666	0	31	-1.0	-42.80	303.94	4.05	-38.75
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010771667	0	36	-1.0	-45.31	332.73	5.01	-40.30
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010771668	0	38	-1.0	-50.67	322.66	0.57	-50.10
COC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010771669	0	34	-1.0	-62.54	295.75	3.31	-59.23
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010771670	0	29	-1.0	-42.55	287.29	3.43	-39.12
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2C=C1	REAL300010771671	0	37	-1.0	-49.01	331.51	5.01	-44.00
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010771672	0	34	-1.0	-46.34	321.71	4.77	-41.57
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010771673	0	30	-1.0	-41.65	283.70	1.99	-39.66
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771674	0	28	-1.0	-43.11	275.97	3.16	-39.95
CC(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010771675	0	25	-1.0	-43.54	252.55	2.66	-40.88
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010771676	0	25	-1.0	-44.14	262.85	2.22	-41.92
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771677	0	35	-1.0	-47.66	315.05	1.18	-46.48
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010771678	0	28	-1.0	-43.71	282.68	3.51	-40.20
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010771679	0	35	-1.0	-49.89	313.04	3.85	-46.04
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010771680	0	31	-1.0	-42.37	296.47	3.25	-39.12
CC(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010771681	0	30	-1.0	-48.75	290.70	2.62	-46.13
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771682	0	35	-1.0	-42.36	328.91	2.95	-39.41
CC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010771683	0	25	-1.0	-45.72	266.23	3.34	-42.38
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010771684	0	25	-1.0	-44.67	251.37	2.54	-42.13
CC(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010771685	0	28	-1.0	-42.56	262.11	3.75	-38.81
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771686	0	31	-1.0	-42.73	299.49	2.57	-40.16
CC(NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010771687	0	27	-1.0	-41.36	287.72	2.42	-38.94
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771688	0	34	-1.0	-50.13	304.07	-0.32	-50.45
CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010771689	0	28	-1.0	-52.56	287.49	-1.30	-53.86
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771690	0	34	-1.0	-50.13	304.07	-0.32	-50.45
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771691	0	37	-1.0	-53.45	323.75	5.99	-47.46
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010771692	0	39	-1.0	-46.44	332.73	1.34	-45.10
CC(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010771693	0	32	-1.0	-45.46	320.34	2.00	-43.46
CC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010771694	0	40	-1.0	-42.04	328.12	4.83	-37.21
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C12	REAL300010771695	0	36	-1.0	-52.98	305.41	4.55	-48.43
CC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010771696	0	33	-1.0	-45.67	286.65	2.18	-43.49
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771697	0	34	-1.0	-46.18	311.06	4.35	-41.83
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010771698	0	28	-1.0	-45.06	292.53	4.21	-40.85
CC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010771699	0	35	-1.0	-45.09	313.13	3.38	-41.71
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010771700	0	38	-1.0	-44.95	319.91	3.14	-41.81
CC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771701	0	28	-1.0	-44.77	284.53	4.13	-40.64
CC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010771701	1	27	-2.0	-121.88	282.93	4.22	-117.66
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010771702	0	36	-1.0	-46.74	319.69	4.93	-41.81
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771703	0	37	-1.0	-46.09	323.13	4.99	-41.10
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1Br	REAL300010771704	0	31	-1.0	-44.67	288.56	3.84	-40.83
CC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010771705	0	30	-1.0	-47.48	290.17	3.52	-43.96
CC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010771705	1	29	-2.0	-121.72	291.17	3.56	-118.16
CC(NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010771706	0	31	-1.0	-41.22	307.84	3.36	-37.86
CC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010771706	1	30	-2.0	-115.41	305.42	3.35	-112.06
CC(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010771707	0	37	-1.0	-45.09	316.30	-0.07	-45.16
CC(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010771708	0	29	-1.0	-48.47	281.70	3.84	-44.63
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)C(=O)[O-])=C2	REAL300010771709	0	31	-1.0	-42.84	318.35	3.42	-39.42
CC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010771710	0	24	-2.0	-117.97	258.21	2.93	-115.04
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771711	0	27	-1.0	-45.88	275.21	1.48	-44.40
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771711	1	26	-2.0	-113.74	269.17	1.31	-112.43
CC(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010771712	0	30	-1.0	-55.35	288.62	3.30	-52.05
CC(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010771713	0	30	-1.0	-51.16	287.43	3.22	-47.94
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771714	0	27	-1.0	-45.88	275.21	1.48	-44.40
CC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010771714	1	26	-2.0	-113.74	269.17	1.31	-112.43
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010771715	0	28	-1.0	-45.06	292.53	4.21	-40.85
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771716	0	29	-1.0	-47.79	283.27	3.14	-44.65
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771716	1	28	-2.0	-127.94	280.02	3.00	-124.94
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010771717	0	39	-1.0	-44.16	337.29	3.70	-40.46
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)C(=O)[O-])O1	REAL300010771718	0	31	-1.0	-55.98	295.49	-1.53	-57.51
CC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010771719	0	35	-1.0	-49.28	306.91	3.64	-45.64
CC(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010771720	0	31	-1.0	-50.41	303.29	-0.45	-50.86
CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010771721	0	29	-1.0	-47.16	284.73	3.94	-43.22
CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010771722	0	29	-1.0	-47.12	284.73	3.95	-43.17
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010771723	0	34	-1.0	-56.66	310.37	1.44	-55.22
CC1=NC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010771723	1	33	-2.0	-133.90	304.70	0.98	-132.92
CC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010771724	0	42	-1.0	-42.53	309.35	5.06	-37.47
CCOC(=O)C1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C2C=CC=CN12	REAL300010771725	0	37	-1.0	-58.99	337.97	3.84	-55.15
CC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010771726	0	29	-1.0	-56.07	278.28	1.12	-54.95
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)C(=O)[O-])=C2C=C1	REAL300010771727	0	34	-1.0	-53.13	318.14	4.00	-49.13
CC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010771728	0	35	-1.0	-52.04	313.60	4.98	-47.06
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010771729	0	47	-1.0	-47.44	360.42	6.27	-41.17
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)C(=O)[O-])=C1	REAL300010771730	0	27	-2.0	-109.84	283.21	1.29	-108.55
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771730	1	28	-1.0	-44.20	286.42	1.44	-42.76
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771731	0	29	-1.0	-45.39	281.76	3.27	-42.12
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771731	1	28	-2.0	-122.75	279.04	3.27	-119.48
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010771732	0	29	-1.0	-43.19	278.86	2.50	-40.69
CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010771733	0	29	-1.0	-49.03	276.53	1.72	-47.31
CC(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010771734	0	28	-1.0	-47.86	262.27	3.71	-44.15
CC(NS(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771735	0	29	-1.0	-45.36	287.51	3.59	-41.77
CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010771736	0	34	-1.0	-45.57	309.70	2.57	-43.00
CC(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010771737	0	22	-1.0	-38.40	258.49	2.30	-36.10
CC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010771737	1	21	-2.0	-107.48	253.23	2.14	-105.34
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771738	0	38	-1.0	-48.16	321.84	4.47	-43.69
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010771739	0	42	-1.0	-44.82	351.52	4.06	-40.76
CC(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010771740	0	28	-1.0	-44.16	287.54	3.56	-40.60
CC(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010771741	0	30	-1.0	-45.51	285.39	2.85	-42.66
CC(NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010771742	0	22	-1.0	-40.74	249.41	2.11	-38.63
CC([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010771742	1	21	-2.0	-114.98	246.91	2.06	-112.92
CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010771743	0	36	-1.0	-45.95	323.08	5.09	-40.86
CC(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010771744	0	30	-1.0	-45.11	287.55	0.76	-44.35
CC(NS(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010771745	0	22	-1.0	-38.62	269.18	2.87	-35.75
CC([N-]S(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010771745	1	21	-2.0	-108.61	263.92	2.71	-105.90
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010771746	0	26	-1.0	-48.81	273.71	0.91	-47.90
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010771747	0	29	-1.0	-47.99	271.87	1.61	-46.38
CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010771748	0	31	-1.0	-46.47	293.48	4.88	-41.59
CC(NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010771749	0	34	-1.0	-40.33	325.35	4.55	-35.78
CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010771750	0	35	-1.0	-43.53	323.61	6.10	-37.43
COC(=O)C1=C(S(=O)(=O)NC(C)C(=O)[O-])C=C(Cl)S1	REAL300010771751	0	28	-1.0	-45.65	289.62	3.22	-42.43
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010771752	0	31	-1.0	-41.46	291.89	4.04	-37.42
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771753	0	38	-1.0	-43.64	320.24	3.41	-40.23
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771754	0	39	-1.0	-51.72	336.74	2.44	-49.28
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010771755	0	31	-1.0	-46.62	293.10	5.06	-41.56
CC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010771756	0	31	-1.0	-47.17	295.90	1.91	-45.26
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771757	0	39	-1.0	-47.64	341.24	2.78	-44.86
CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010771758	0	40	-1.0	-43.73	334.58	2.55	-41.18
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010771759	0	24	-1.0	-48.77	261.82	0.14	-48.63
CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010771760	0	35	-1.0	-43.81	295.28	-0.04	-43.85
CC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010771761	0	28	-1.0	-53.33	283.52	2.03	-51.30
CC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010771762	0	22	-2.0	-118.16	241.42	-0.17	-118.33
CC(NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010771762	1	23	-1.0	-46.18	244.63	-0.20	-46.38
CC(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010771763	0	22	-1.0	-40.57	253.71	2.39	-38.18
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771764	0	29	-1.0	-49.31	281.47	2.56	-46.75
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771765	0	34	-1.0	-47.19	317.12	1.21	-45.98
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300010771765	1	33	-2.0	-96.03	312.38	0.14	-95.89
CC(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010771766	0	29	-1.0	-41.49	296.78	4.35	-37.14
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010771767	0	30	-1.0	-42.03	283.96	4.35	-37.68
CC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010771768	0	23	-2.0	-122.29	250.26	0.79	-121.50
CC(NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010771768	1	24	-1.0	-56.67	255.27	1.23	-55.44
COC(=O)C1=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300010771769	0	33	-1.0	-43.24	299.68	1.53	-41.71
CC(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010771770	0	32	-1.0	-43.26	292.57	4.36	-38.90
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300010771771	0	39	-1.0	-46.63	339.68	5.65	-40.98
CC(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010771772	0	32	-1.0	-49.24	292.60	4.31	-44.93
CC(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010771773	0	22	-1.0	-46.42	241.41	1.70	-44.72
CC(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010771774	0	29	-1.0	-47.49	284.65	2.65	-44.84
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771775	0	27	-1.0	-39.63	265.77	1.81	-37.82
CC1=CC=C(I)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771776	0	28	-1.0	-40.60	276.61	4.23	-36.37
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771777	0	34	-1.0	-45.84	301.27	4.07	-41.77
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010771778	0	36	-1.0	-46.03	316.91	6.29	-39.74
CC(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010771779	0	24	-1.0	-40.84	249.08	0.97	-39.87
CC(NS(=O)(=O)C1=CC=C(I)C=C1Cl)C(=O)[O-]	REAL300010771780	0	25	-1.0	-40.94	275.01	3.89	-37.05
CC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010771781	0	28	-1.0	-42.34	265.05	1.85	-40.49
CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010771782	0	33	-1.0	-51.18	288.74	-2.07	-53.25
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300010771783	0	27	-1.0	-46.25	270.87	1.35	-44.90
CC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771784	0	23	-2.0	-114.96	256.46	1.44	-113.52
CC(NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010771784	1	24	-1.0	-45.43	259.59	1.57	-43.86
CC(NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010771785	0	34	-1.0	-50.67	312.97	1.74	-48.93
CC(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010771786	0	32	-1.0	-45.41	289.79	4.59	-40.82
COC1=CC=C(I)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771787	0	29	-1.0	-42.42	284.88	2.79	-39.63
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010771788	0	28	-1.0	-45.06	281.28	3.82	-41.24
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010771789	0	29	-1.0	-41.93	285.70	2.06	-39.87
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300010771790	0	48	-1.0	-44.52	404.31	7.37	-37.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(F)F)=C1	REAL300010771791	0	32	-1.0	-47.35	281.26	2.91	-44.44
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(=O)OC	REAL300010771792	0	38	-1.0	-49.21	334.96	3.70	-45.51
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2C1	REAL300010771793	0	38	-1.0	-51.16	330.46	4.60	-46.56
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771794	0	31	-1.0	-42.66	299.00	0.33	-42.33
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771795	0	31	-1.0	-43.55	300.45	4.29	-39.26
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771795	1	30	-2.0	-119.08	295.46	4.11	-114.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300010771796	0	31	-1.0	-50.94	284.55	3.73	-47.21
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)C(=O)[O-]	REAL300010771796	1	30	-2.0	-138.48	280.68	3.64	-134.84
CC(NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010771797	0	25	-1.0	-42.54	255.41	3.48	-39.06
COC1=CC=C(I)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771798	0	29	-1.0	-42.42	284.88	2.79	-39.63
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2C=C1	REAL300010771799	0	36	-1.0	-45.79	329.37	3.16	-42.63
CC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010771800	0	20	-2.0	-107.90	232.34	0.44	-107.46
CC(NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010771800	1	21	-1.0	-38.94	234.47	0.42	-38.52
CC(NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010771801	0	27	-1.0	-46.91	267.47	0.58	-46.33
CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010771802	0	32	-1.0	-47.38	306.77	3.15	-44.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300010771803	0	38	-1.0	-48.24	323.49	4.23	-44.01
CC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771804	0	29	-2.0	-101.36	279.49	2.15	-99.21
CC(NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010771804	1	30	-1.0	-45.61	280.65	1.38	-44.23
O=C([O-])C1CCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)CC1	REAL300010771805	0	38	-1.0	-52.52	324.88	7.50	-45.02
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300010771806	0	31	-1.0	-52.64	273.30	3.33	-49.31
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300010771807	0	32	-1.0	-50.85	293.91	5.62	-45.23
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300010771808	0	32	-1.0	-51.98	282.05	5.33	-46.65
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300010771809	0	44	-1.0	-50.34	329.77	7.42	-42.92
COC(=O)CC1(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010771810	0	41	-1.0	-51.34	340.03	5.57	-45.77
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771811	0	38	-1.0	-63.55	318.13	6.63	-56.92
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771812	0	41	-1.0	-50.08	351.21	6.63	-43.45
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300010771813	0	32	-1.0	-51.50	293.29	5.64	-45.86
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010771814	0	38	-1.0	-54.31	330.10	5.78	-48.53
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771815	0	44	-1.0	-48.18	350.79	7.36	-40.82
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771816	0	41	-1.0	-51.96	334.34	6.98	-44.98
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771817	0	44	-1.0	-48.12	353.26	7.62	-40.50
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771818	0	43	-1.0	-50.22	369.34	3.07	-47.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300010771819	0	36	-1.0	-54.97	308.34	1.81	-53.16
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771820	0	42	-1.0	-53.38	356.77	4.06	-49.32
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300010771821	0	34	-1.0	-49.24	306.33	5.85	-43.39
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300010771822	0	32	-1.0	-48.09	293.25	6.18	-41.91
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300010771823	0	29	-1.0	-49.29	281.62	4.61	-44.68
CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771824	0	41	-1.0	-48.00	338.97	7.25	-40.75
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)CC1	REAL300010771825	0	32	-1.0	-48.84	301.00	5.86	-42.98
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Br	REAL300010771826	0	36	-1.0	-49.73	324.49	5.00	-44.73
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771827	0	43	-1.0	-56.60	353.43	3.67	-52.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010771828	0	32	-1.0	-50.11	286.50	4.99	-45.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010771829	0	32	-1.0	-46.15	308.06	6.06	-40.09
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1	REAL300010771830	0	32	-1.0	-52.13	279.62	5.25	-46.88
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771831	0	44	-1.0	-52.26	384.11	6.34	-45.92
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771832	0	44	-1.0	-62.04	374.43	7.46	-54.58
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010771833	0	32	-1.0	-50.22	283.10	5.31	-44.91
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)CC1	REAL300010771834	0	31	-1.0	-50.41	284.47	3.63	-46.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300010771835	0	32	-1.0	-47.09	290.78	5.40	-41.69
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CC1	REAL300010771836	0	35	-1.0	-53.64	317.80	6.99	-46.65
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Br	REAL300010771837	0	35	-1.0	-47.37	314.08	6.22	-41.15
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1NC(C)=O	REAL300010771838	0	43	-1.0	-56.08	359.49	3.35	-52.73
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300010771839	0	36	-1.0	-47.28	320.58	4.83	-42.45
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1C	REAL300010771840	0	47	-1.0	-49.01	341.16	7.86	-41.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300010771841	0	41	-1.0	-52.68	337.38	4.98	-47.70
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010771842	0	37	-1.0	-51.44	318.80	6.23	-45.21
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)S2)CC1	REAL300010771843	0	29	-1.0	-49.26	286.26	4.72	-44.54
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010771844	0	38	-1.0	-46.69	325.76	7.25	-39.44
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771845	0	36	-1.0	-52.69	318.39	5.41	-47.28
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771846	0	50	-1.0	-49.60	372.20	8.67	-40.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300010771847	0	48	-1.0	-48.06	376.44	8.84	-39.22
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300010771848	0	35	-1.0	-47.37	313.31	6.03	-41.34
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300010771849	0	42	-1.0	-51.44	335.32	7.49	-43.95
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771850	0	40	-1.0	-55.22	326.55	4.08	-51.14
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300010771851	0	40	-1.0	-51.30	333.32	4.24	-47.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CC1	REAL300010771852	0	42	-1.0	-51.09	371.82	4.63	-46.46
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1	REAL300010771853	0	39	-1.0	-49.12	320.13	6.94	-42.18
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010771854	0	39	-1.0	-55.14	346.91	3.16	-51.98
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1	REAL300010771855	0	40	-1.0	-51.83	327.10	7.40	-44.43
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2F)CC1	REAL300010771856	0	32	-1.0	-51.23	281.48	4.99	-46.24
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771857	0	42	-1.0	-62.70	335.37	4.22	-58.48
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1	REAL300010771858	0	29	-1.0	-43.87	286.05	4.75	-39.12
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771859	0	47	-1.0	-47.91	378.04	8.54	-39.37
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300010771860	0	38	-1.0	-53.78	308.61	7.00	-46.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300010771861	0	42	-1.0	-50.20	348.77	8.46	-41.74
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CC1	REAL300010771862	0	35	-1.0	-49.04	316.85	6.18	-42.86
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771863	0	35	-1.0	-51.63	285.45	5.40	-46.23
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1	REAL300010771864	0	32	-1.0	-48.05	310.13	6.73	-41.32
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771865	0	47	-1.0	-51.77	364.54	7.84	-43.93
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300010771866	0	35	-1.0	-48.01	310.06	6.14	-41.87
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CC1	REAL300010771867	0	32	-1.0	-47.12	293.58	5.22	-41.90
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010771868	0	35	-1.0	-52.48	296.46	5.60	-46.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1	REAL300010771869	0	32	-1.0	-44.95	300.92	5.54	-39.41
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CC1	REAL300010771870	0	35	-1.0	-51.09	314.08	5.94	-45.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1	REAL300010771871	0	32	-1.0	-48.27	302.03	5.59	-42.68
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1	REAL300010771872	0	32	-1.0	-48.59	287.72	5.04	-43.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300010771873	0	33	-1.0	-54.22	288.17	3.75	-50.47
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1F	REAL300010771874	0	35	-1.0	-47.57	301.30	5.73	-41.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300010771875	0	35	-1.0	-48.24	318.90	6.09	-42.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300010771876	0	37	-1.0	-53.42	307.08	6.06	-47.36
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CC1	REAL300010771877	0	35	-1.0	-53.81	307.46	6.54	-47.27
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CC1	REAL300010771878	0	43	-1.0	-52.94	380.08	8.42	-44.52
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)CC1	REAL300010771879	0	32	-1.0	-52.54	291.23	5.42	-47.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(F)C=C2Br)CC1	REAL300010771880	0	32	-1.0	-49.00	288.52	5.40	-43.60
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771881	0	38	-1.0	-51.30	325.35	5.48	-45.82
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771882	0	35	-1.0	-52.61	296.50	5.59	-47.02
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300010771883	0	36	-1.0	-50.70	310.29	4.41	-46.29
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300010771884	0	35	-1.0	-48.55	301.31	5.74	-42.81
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010771885	0	32	-1.0	-50.28	287.53	5.34	-44.94
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300010771886	0	32	-1.0	-47.46	301.60	5.70	-41.76
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C2)C=C1	REAL300010771887	0	47	-1.0	-50.49	392.73	7.16	-43.33
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300010771888	0	39	-1.0	-51.32	344.75	4.55	-46.77
CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771889	0	43	-1.0	-50.79	328.86	5.47	-45.32
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010771890	0	48	-1.0	-52.74	376.78	7.92	-44.82
N#CC1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771891	0	36	-1.0	-58.96	317.22	6.09	-52.87
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010771892	0	35	-1.0	-48.23	312.01	6.78	-41.45
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300010771893	0	35	-1.0	-55.95	328.28	6.68	-49.27
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010771894	0	42	-1.0	-53.27	336.93	6.35	-46.92
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010771895	0	39	-1.0	-51.02	325.19	2.48	-48.54
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C(N)=O	REAL300010771896	0	40	-1.0	-54.97	336.39	2.42	-52.55
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771897	0	37	-1.0	-50.29	307.23	6.01	-44.28
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010771898	0	39	-1.0	-52.07	330.36	3.76	-48.31
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771899	0	37	-1.0	-52.39	303.68	5.91	-46.48
CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1Cl	REAL300010771900	0	32	-1.0	-52.70	293.09	4.55	-48.15
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771901	0	35	-1.0	-50.71	300.42	5.73	-44.98
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771902	0	38	-1.0	-51.95	344.11	6.16	-45.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=N2)CC1	REAL300010771903	0	31	-1.0	-49.07	291.75	3.75	-45.32
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771904	0	41	-1.0	-59.07	359.61	3.25	-55.82
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1F	REAL300010771905	0	39	-1.0	-53.16	335.50	4.04	-49.12
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C21	REAL300010771906	0	46	-1.0	-60.84	367.59	6.68	-54.16
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771907	0	37	-1.0	-57.26	323.60	1.09	-56.17
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1C	REAL300010771908	0	42	-1.0	-48.24	322.07	5.18	-43.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2Br)CC1	REAL300010771909	0	32	-1.0	-50.06	286.68	5.30	-44.76
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C21	REAL300010771910	0	43	-1.0	-53.15	355.90	4.50	-48.65
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)CC1	REAL300010771911	0	35	-1.0	-55.29	317.66	6.33	-48.96
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)CC1	REAL300010771912	0	32	-1.0	-47.02	310.72	6.11	-40.91
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771913	0	45	-1.0	-54.90	378.26	4.83	-50.07
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771914	0	46	-1.0	-58.64	379.05	3.82	-54.82
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771915	0	40	-1.0	-53.06	334.31	7.54	-45.52
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771916	0	44	-1.0	-48.58	355.75	7.72	-40.86
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771917	0	42	-1.0	-48.89	351.15	5.54	-43.35
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771918	0	44	-1.0	-55.78	350.47	3.11	-52.67
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771919	0	35	-1.0	-51.12	295.78	5.86	-45.26
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771920	0	48	-1.0	-48.56	386.49	7.36	-41.20
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300010771921	0	46	-1.0	-48.69	369.55	7.24	-41.45
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771922	0	45	-1.0	-48.81	367.53	6.75	-42.06
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771923	0	42	-1.0	-48.72	347.43	6.06	-42.66
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300010771924	0	36	-1.0	-49.71	320.10	4.89	-44.82
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300010771925	0	36	-1.0	-50.43	329.85	5.16	-45.27
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300010771926	0	39	-1.0	-49.46	324.15	5.07	-44.39
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300010771927	0	45	-1.0	-49.05	363.92	6.62	-42.43
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1	REAL300010771928	0	39	-1.0	-51.70	309.26	4.67	-47.03
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771929	0	43	-1.0	-50.64	359.56	4.53	-46.11
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1	REAL300010771930	0	35	-1.0	-50.67	303.66	5.81	-44.86
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771931	0	43	-1.0	-59.34	363.37	4.66	-54.68
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CC1	REAL300010771932	0	47	-1.0	-54.12	379.32	4.49	-49.63
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(Br)=C1	REAL300010771933	0	35	-1.0	-51.46	301.64	5.89	-45.57
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771934	0	38	-1.0	-58.45	338.83	2.71	-55.74
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771935	0	38	-1.0	-59.45	336.55	7.31	-52.14
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300010771936	0	37	-1.0	-53.83	313.58	5.38	-48.45
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771937	0	36	-1.0	-48.58	312.20	5.48	-43.10
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771938	0	36	-1.0	-51.72	300.72	5.76	-45.96
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300010771939	0	33	-1.0	-48.60	294.77	5.27	-43.33
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771940	0	36	-1.0	-52.82	320.72	5.97	-46.85
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1OC	REAL300010771941	0	42	-1.0	-53.66	356.66	5.74	-47.92
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300010771942	0	41	-1.0	-49.76	345.38	6.23	-43.53
COC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771943	0	39	-1.0	-54.68	323.59	3.72	-50.96
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300010771944	0	42	-1.0	-59.09	345.96	0.66	-58.43
CN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771945	0	41	-1.0	-51.05	319.59	3.08	-47.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CC1	REAL300010771946	0	41	-1.0	-57.72	343.26	5.10	-52.62
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300010771947	0	41	-1.0	-54.99	340.15	5.91	-49.08
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300010771948	0	41	-1.0	-51.81	330.09	4.85	-46.96
CC(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300010771949	0	38	-1.0	-52.91	317.36	4.09	-48.82
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771950	0	41	-1.0	-53.88	339.29	6.30	-47.58
CC(C)N1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771951	0	38	-1.0	-54.11	320.18	5.43	-48.68
CC(C)C1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CN1	REAL300010771952	0	38	-1.0	-53.71	318.39	3.49	-50.22
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771953	0	44	-1.0	-52.41	328.52	7.92	-44.49
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300010771954	0	45	-1.0	-56.89	371.80	7.60	-49.29
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771955	0	40	-1.0	-56.11	340.66	4.44	-51.67
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1Cl	REAL300010771956	0	39	-1.0	-50.98	352.65	4.83	-46.15
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1	REAL300010771957	0	39	-1.0	-57.27	339.54	6.32	-50.95
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1F	REAL300010771958	0	38	-1.0	-56.01	336.14	5.59	-50.42
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010771959	0	36	-1.0	-52.05	322.04	5.00	-47.05
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010771960	0	42	-1.0	-53.02	361.86	6.96	-46.06
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C(Br)O1	REAL300010771961	0	35	-1.0	-46.39	322.63	4.02	-42.37
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C(Br)S1	REAL300010771962	0	32	-1.0	-49.82	294.85	5.17	-44.65
COC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CN1	REAL300010771963	0	36	-1.0	-53.77	317.98	3.39	-50.38
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300010771964	0	33	-1.0	-48.81	310.79	5.85	-42.96
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300010771965	0	40	-1.0	-56.06	319.95	7.45	-48.61
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771966	0	38	-1.0	-54.21	332.88	5.84	-48.37
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771967	0	41	-1.0	-55.83	337.31	2.77	-53.06
N#CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300010771968	0	36	-1.0	-56.05	320.01	6.70	-49.35
N#CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Cl	REAL300010771969	0	33	-1.0	-49.00	310.81	5.84	-43.16
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771970	0	48	-1.0	-54.32	384.24	6.70	-47.62
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CC1	REAL300010771971	0	43	-1.0	-59.72	360.66	4.97	-54.75
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300010771972	0	44	-1.0	-54.67	383.61	2.88	-51.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010771973	0	40	-1.0	-55.14	351.18	1.20	-53.94
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010771974	0	42	-1.0	-59.31	368.78	3.92	-55.39
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300010771975	0	35	-1.0	-52.58	313.69	3.86	-48.72
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771976	0	38	-1.0	-50.80	334.08	4.55	-46.25
CC1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300010771977	0	34	-1.0	-46.08	297.39	3.31	-42.77
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1	REAL300010771978	0	34	-1.0	-54.79	284.29	6.57	-48.22
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010771979	0	35	-1.0	-46.84	331.84	6.80	-40.04
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C(C)N1	REAL300010771980	0	45	-1.0	-52.10	367.75	5.64	-46.46
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2Br)CC1	REAL300010771981	0	32	-1.0	-53.50	289.80	5.85	-47.65
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)S2)=CS1	REAL300010771982	0	38	-1.0	-50.07	352.53	5.53	-44.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300010771983	0	52	-1.0	-48.84	409.16	8.65	-40.19
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CC1	REAL300010771984	0	42	-1.0	-57.52	369.88	4.57	-52.95
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(I)=C2)CC1	REAL300010771985	0	32	-1.0	-50.71	300.40	6.10	-44.61
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771986	0	41	-1.0	-56.22	333.77	5.99	-50.23
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010771987	0	34	-1.0	-60.30	309.93	7.34	-52.96
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300010771988	0	40	-1.0	-52.09	333.71	4.13	-47.96
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300010771989	0	43	-1.0	-53.29	338.51	4.57	-48.72
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300010771990	0	34	-1.0	-48.03	314.39	7.36	-40.67
O=C([O-])C1CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CC1	REAL300010771991	0	35	-1.0	-54.74	312.12	5.90	-48.84
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771992	0	33	-1.0	-49.35	285.31	4.88	-44.47
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771993	0	33	-1.0	-49.19	295.64	5.33	-43.86
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Br	REAL300010771994	0	35	-1.0	-47.98	314.09	6.23	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010771995	0	35	-1.0	-50.67	284.31	5.37	-45.30
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300010771996	0	38	-1.0	-60.63	331.96	3.76	-56.87
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1	REAL300010771997	0	38	-1.0	-50.66	322.98	7.42	-43.24
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1	REAL300010771998	0	37	-1.0	-53.90	329.23	7.13	-46.77
CC1=C(Br)SC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300010771999	0	32	-1.0	-49.11	305.81	5.33	-43.78
N#CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300010772000	0	36	-1.0	-57.51	316.84	6.21	-51.30
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773437	0	30	-1.0	-47.57	285.61	3.71	-43.86
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010773438	0	27	-1.0	-46.98	264.49	2.05	-44.93
O=C([O-])CNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010773439	0	22	-1.0	-42.56	241.13	2.65	-39.91
COC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773440	0	26	-1.0	-44.03	264.16	1.48	-42.55
O=C([O-])CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010773441	0	35	-1.0	-55.38	324.97	2.63	-52.75
O=C([O-])CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010773442	0	34	-1.0	-47.15	297.75	2.99	-44.16
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010773443	0	29	-1.0	-47.62	270.63	3.24	-44.38
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300010773444	0	31	-1.0	-48.68	289.30	2.51	-46.17
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010773445	0	37	-1.0	-47.23	327.12	1.99	-45.24
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773446	0	40	0.0	-73.72	329.82	2.74	-70.98
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773447	0	25	-1.0	-42.38	249.36	3.06	-39.32
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773448	0	28	-1.0	-44.56	290.24	3.00	-41.56
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CC(=O)[O-])=C1	REAL300010773448	1	27	-2.0	-116.34	289.05	2.62	-113.72
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010773449	0	22	-1.0	-40.99	251.16	2.68	-38.31
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010773449	1	21	-2.0	-110.51	261.40	2.83	-107.68
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010773450	0	22	-1.0	-44.37	232.93	1.93	-42.44
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1C	REAL300010773451	0	49	-1.0	-45.69	400.69	6.16	-39.53
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773452	0	36	-1.0	-50.90	327.63	2.69	-48.21
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010773453	0	37	-1.0	-61.12	319.54	2.65	-58.47
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010773454	0	28	-1.0	-44.54	280.57	4.43	-40.11
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC(=O)[O-])S1	REAL300010773455	0	24	-2.0	-109.79	280.35	1.54	-108.25
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773455	1	25	-1.0	-41.21	277.23	1.73	-39.48
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010773457	0	25	-1.0	-41.22	268.83	3.06	-38.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773458	0	33	-1.0	-52.07	293.60	0.73	-51.34
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773459	0	27	-1.0	-43.44	272.49	3.57	-39.87
COC1=C(F)C=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010773460	0	28	-1.0	-42.55	276.84	2.38	-40.17
COC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010773461	0	32	-1.0	-45.07	304.07	0.91	-44.16
O=C([O-])CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010773462	0	33	-1.0	-52.79	312.27	3.37	-49.42
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010773463	0	40	-1.0	-50.45	347.66	4.13	-46.32
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010773464	0	37	-1.0	-50.23	328.71	2.96	-47.27
COC1=CC(S(=O)(=O)NCC(=O)[O-])=C(OC)C=C1Br	REAL300010773465	0	30	-1.0	-45.38	283.75	1.34	-44.04
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010773466	0	25	-1.0	-44.08	250.36	2.31	-41.77
CC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773467	0	25	-1.0	-43.87	256.08	2.83	-41.04
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773468	0	29	-1.0	-48.10	287.37	1.21	-46.89
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773469	0	33	-1.0	-60.06	293.32	1.48	-58.58
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010773470	0	34	-1.0	-48.36	280.72	0.55	-47.81
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010773471	0	28	-1.0	-45.56	293.82	-0.32	-45.88
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010773472	0	22	-1.0	-43.66	249.60	2.65	-41.01
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010773472	1	21	-2.0	-112.74	259.86	2.79	-109.95
COC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010773473	0	32	-1.0	-45.07	304.07	0.91	-44.16
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300010773474	0	32	-1.0	-47.49	288.57	2.03	-45.46
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773475	0	33	-1.0	-49.65	289.63	1.68	-47.97
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773476	0	36	-1.0	-49.37	320.38	2.68	-46.69
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010773477	0	36	-1.0	-48.09	320.25	4.93	-43.16
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773478	0	30	-1.0	-50.82	285.76	3.72	-47.10
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010773479	0	22	-1.0	-41.74	247.74	2.39	-39.35
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010773479	1	21	-2.0	-113.41	253.77	2.32	-111.09
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C2O1	REAL300010773480	0	37	-1.0	-45.31	337.06	4.22	-41.09
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773481	0	34	-1.0	-48.73	304.68	4.02	-44.71
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010773482	0	22	-1.0	-44.39	237.06	2.16	-42.23
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010773482	1	21	-2.0	-112.79	247.32	2.31	-110.48
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300010773483	0	43	-1.0	-51.15	361.07	2.25	-48.90
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010773484	0	41	-1.0	-50.99	344.99	-0.59	-51.58
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773485	0	32	-1.0	-39.99	300.13	4.41	-35.58
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773486	0	25	-1.0	-41.44	255.06	3.12	-38.32
O=C([O-])CNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010773487	0	22	-1.0	-45.75	244.67	2.73	-43.02
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010773488	0	24	-1.0	-44.78	257.88	3.70	-41.08
O=C([O-])C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010773488	1	23	-2.0	-117.68	257.68	3.45	-114.23
COC1=C(S(=O)(=O)NCC(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010773489	0	31	-1.0	-43.43	307.42	3.42	-40.01
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773490	0	32	-1.0	-39.99	300.13	4.41	-35.58
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010773491	0	22	-1.0	-41.90	249.50	2.63	-39.27
O=C([O-])CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010773492	0	33	-1.0	-44.80	309.90	1.38	-43.42
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC(=O)[O-])C=CC=C12	REAL300010773493	0	36	-1.0	-47.11	307.79	3.76	-43.35
N#CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773494	0	23	-1.0	-43.02	253.87	2.45	-40.57
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010773495	0	24	-1.0	-40.79	255.73	2.65	-38.14
O=C([O-])C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010773495	1	23	-2.0	-107.43	265.95	2.80	-104.63
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773496	0	28	-1.0	-41.43	287.28	2.19	-39.24
COC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C=C1OC	REAL300010773497	0	30	-1.0	-46.01	273.70	0.81	-45.20
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010773498	0	25	-1.0	-42.35	257.70	2.61	-39.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300010773499	0	33	-1.0	-49.50	305.23	-1.49	-50.99
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C2S1	REAL300010773500	0	34	-1.0	-46.17	328.00	4.60	-41.57
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010773501	0	28	-1.0	-52.97	264.16	0.95	-52.02
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773502	0	30	-1.0	-52.48	278.04	2.88	-49.60
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773503	0	26	-1.0	-45.56	259.30	1.60	-43.96
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010773504	0	28	-1.0	-43.71	280.34	2.70	-41.01
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010773505	0	22	-1.0	-43.62	246.58	2.81	-40.81
COC1=CC2=C(C=C1S(=O)(=O)NCC(=O)[O-])OCC(=O)N2	REAL300010773506	0	32	-1.0	-48.86	284.55	-1.40	-50.26
O=C([O-])C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010773507	0	23	-2.0	-111.08	262.04	2.41	-108.67
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010773507	1	24	-1.0	-41.47	256.03	2.48	-38.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010773508	0	24	-1.0	-40.82	252.30	2.36	-38.46
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010773508	1	23	-2.0	-106.97	258.31	2.29	-104.68
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010773509	0	22	-1.0	-41.77	241.86	2.87	-38.90
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010773509	1	21	-2.0	-112.66	242.17	2.56	-110.10
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010773510	0	25	-1.0	-43.53	268.59	3.29	-40.24
O=C([O-])CNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010773511	0	22	-1.0	-47.83	232.24	1.92	-45.91
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1OC	REAL300010773512	0	32	-1.0	-46.68	295.45	2.26	-44.42
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010773513	0	22	-1.0	-42.71	246.56	2.79	-39.92
O=C([O-])CNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010773514	0	25	-1.0	-47.58	258.42	2.87	-44.71
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773515	0	30	-1.0	-49.94	255.37	-1.33	-51.27
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773516	0	26	-1.0	-49.53	269.19	-1.05	-50.58
N#CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010773517	0	26	-1.0	-44.19	270.04	2.73	-41.46
COC1=CC=C(Br)C(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300010773518	0	29	-1.0	-48.32	283.31	2.12	-46.20
O=C([O-])CNS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010773519	0	25	-1.0	-45.44	274.17	3.06	-42.38
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773520	0	23	-1.0	-52.70	238.64	1.80	-50.90
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773521	0	23	-1.0	-49.27	240.23	1.92	-47.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773522	0	39	-1.0	-50.24	350.16	1.27	-48.97
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010773523	0	28	-1.0	-51.24	263.14	2.58	-48.66
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773524	0	32	-1.0	-54.60	294.58	-1.10	-55.70
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773525	0	28	-1.0	-52.45	290.54	-0.18	-52.63
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2CC1	REAL300010773526	0	39	-1.0	-49.61	326.09	3.50	-46.11
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(F)(F)F	REAL300010773527	0	31	-1.0	-45.64	298.32	3.02	-42.62
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(=O)[O-])=C1OC	REAL300010773528	0	32	-1.0	-46.05	307.19	3.15	-42.90
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773529	0	36	-1.0	-52.53	317.21	2.85	-49.68
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1Cl	REAL300010773530	0	31	-1.0	-43.17	300.74	3.28	-39.89
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Cl	REAL300010773530	1	30	-2.0	-114.48	306.80	3.22	-111.26
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010773531	0	24	-1.0	-46.09	259.43	3.33	-42.76
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010773531	1	23	-2.0	-116.54	259.71	3.02	-113.52
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773532	0	29	-2.0	-119.34	280.39	2.69	-116.65
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(=O)[O-])=C1OC	REAL300010773533	0	33	-1.0	-50.39	308.81	1.32	-49.07
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1C	REAL300010773534	0	34	-1.0	-45.20	304.25	3.43	-41.77
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773535	0	36	-1.0	-53.72	324.91	-0.25	-53.97
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1Br	REAL300010773536	0	31	-1.0	-42.91	304.48	3.36	-39.55
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Br	REAL300010773536	1	30	-2.0	-114.62	310.54	3.30	-111.32
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773537	0	35	-1.0	-50.66	310.41	2.95	-47.71
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1C	REAL300010773538	0	34	-1.0	-45.33	306.07	3.66	-41.67
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773539	0	34	-1.0	-50.08	312.18	3.92	-46.16
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773540	0	28	-1.0	-48.38	285.62	4.24	-44.14
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773540	1	27	-2.0	-126.45	289.49	3.79	-122.66
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010773541	0	25	-1.0	-45.35	255.01	3.65	-41.70
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773542	0	31	-1.0	-48.44	288.23	2.88	-45.56
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773543	0	36	-1.0	-48.41	332.50	-0.66	-49.07
O=C([O-])CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300010773544	0	25	-1.0	-47.66	253.90	2.82	-44.84
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CN1C	REAL300010773545	0	34	-1.0	-48.82	315.37	2.76	-46.06
CS(=O)(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Cl	REAL300010773546	0	28	-1.0	-49.50	283.88	-0.53	-50.03
O=C([O-])CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010773547	0	26	-1.0	-48.29	261.13	2.43	-45.86
CC1=NC(S(=O)(=O)NCC(=O)[O-])=C(Br)N1C	REAL300010773548	0	25	-1.0	-50.99	253.76	1.13	-49.86
CC1=NC(S(=O)(=O)[N-]CC(=O)[O-])=C(Br)N1C	REAL300010773548	1	24	-2.0	-129.43	252.76	0.63	-128.80
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773549	0	35	-1.0	-54.61	305.51	2.39	-52.22
O=C([O-])CNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010773550	0	39	-1.0	-53.91	358.26	1.95	-51.96
N#CC1=CC(F)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773551	0	23	-1.0	-42.18	252.06	2.21	-39.97
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC(=O)[O-])C=C1Br	REAL300010773551	1	22	-2.0	-110.63	258.12	2.13	-108.50
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773552	0	33	-1.0	-49.74	304.88	0.93	-48.81
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010773553	0	37	-1.0	-45.92	326.30	4.38	-41.54
CN(C)C(=O)COC1=C(Cl)C=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773554	0	36	-1.0	-49.18	357.54	3.58	-45.60
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773555	0	34	-1.0	-50.90	317.02	0.77	-50.13
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773556	0	33	-1.0	-43.53	334.32	2.28	-41.25
CCOC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=CC(Br)=C1C	REAL300010773557	0	34	-1.0	-42.37	323.88	4.19	-38.18
O=C([O-])CNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010773558	0	21	-1.0	-40.59	244.65	0.73	-39.86
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773559	0	31	-1.0	-46.03	301.75	4.01	-42.02
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010773560	0	33	-1.0	-44.28	318.77	4.92	-39.36
O=C([O-])CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010773561	0	28	-1.0	-47.50	274.81	3.48	-44.02
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1I	REAL300010773562	0	25	-1.0	-44.42	258.72	3.19	-41.23
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773563	0	35	-1.0	-48.87	323.21	1.92	-46.95
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773564	0	38	-1.0	-48.61	345.07	2.84	-45.77
O=C([O-])CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010773565	0	26	-1.0	-47.26	257.41	1.11	-46.15
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773566	0	31	-1.0	-44.59	306.74	3.64	-40.95
O=C([O-])CNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010773567	0	38	-1.0	-54.52	346.47	3.42	-51.10
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010773568	0	24	-1.0	-44.66	250.74	0.83	-43.83
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010773569	0	24	-1.0	-44.92	253.46	3.60	-41.32
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010773569	1	23	-2.0	-117.63	253.27	3.35	-114.28
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1C	REAL300010773570	0	31	-1.0	-45.45	282.39	2.50	-42.95
CC1=CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C2N=C1Cl	REAL300010773571	0	30	-1.0	-45.17	289.84	2.93	-42.24
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C(C(C)C)=C1	REAL300010773572	0	49	-1.0	-44.81	371.63	7.41	-37.40
O=C([O-])CNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010773573	0	27	-1.0	-49.97	260.16	3.11	-46.86
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773574	0	34	-1.0	-49.26	313.79	3.85	-45.41
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773575	0	29	-1.0	-43.82	281.59	1.85	-41.97
O=C([O-])CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010773576	0	25	-1.0	-46.08	264.67	3.61	-42.47
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010773576	1	24	-2.0	-123.76	263.45	3.24	-120.52
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773577	0	36	-1.0	-50.11	331.80	-0.39	-50.50
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773577	1	35	-2.0	-90.77	324.87	-0.21	-90.98
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010773578	0	25	-1.0	-47.21	264.13	2.92	-44.29
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300010773579	0	31	-1.0	-58.29	297.81	-0.23	-58.52
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773580	0	31	-1.0	-44.64	296.68	3.53	-41.11
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010773581	0	37	-1.0	-52.53	334.98	2.11	-50.42
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773582	0	35	-1.0	-50.10	309.81	1.91	-48.19
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(=O)[O-])C=C12	REAL300010773583	0	41	-1.0	-46.07	354.88	2.32	-43.75
O=C([O-])CNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010773584	0	24	-1.0	-45.63	261.54	1.47	-44.16
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773585	0	30	-1.0	-46.99	279.39	1.25	-45.74
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773586	0	35	-1.0	-48.75	309.80	2.71	-46.04
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010773587	0	26	-1.0	-43.95	260.36	2.17	-41.78
COC(=O)CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300010773588	0	31	-1.0	-48.97	295.78	3.04	-45.93
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010773589	0	25	-1.0	-45.94	271.91	3.31	-42.63
O=C([O-])CNS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010773590	0	25	-1.0	-45.93	270.55	3.33	-42.60
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773591	0	38	-1.0	-48.48	310.10	3.70	-44.78
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773592	0	29	-1.0	-47.37	288.80	3.93	-43.44
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300010773593	0	31	-1.0	-46.98	288.20	2.90	-44.08
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773594	0	31	-1.0	-44.89	306.86	3.20	-41.69
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=N1	REAL300010773595	0	31	-1.0	-46.09	299.60	3.02	-43.07
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(=O)[O-])=C1F	REAL300010773596	0	28	-1.0	-48.59	281.32	2.44	-46.15
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773596	1	27	-2.0	-123.04	287.28	2.35	-120.69
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773597	0	31	-1.0	-48.47	286.65	2.58	-45.89
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC(=O)[O-]	REAL300010773598	0	28	-1.0	-46.83	269.56	3.42	-43.41
O=C([O-])CNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010773599	0	37	-1.0	-44.92	328.00	-0.64	-45.56
O=C([O-])CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010773600	0	29	-1.0	-51.83	278.45	-0.59	-52.42
CC1=C(S(=O)(=O)NCC(=O)[O-])SC(Br)=C1	REAL300010773601	0	22	-1.0	-42.32	243.26	2.10	-40.22
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773602	0	26	-1.0	-43.50	260.88	2.04	-41.46
COC1=CC2=C(C=C1S(=O)(=O)NCC(=O)[O-])C(=O)NCCC2	REAL300010773603	0	37	-1.0	-54.00	310.00	0.47	-53.53
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC(=O)[O-])S2)C1	REAL300010773604	0	33	-1.0	-49.00	303.18	1.98	-47.02
CC1=C(S(=O)(=O)NCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010773605	0	29	-1.0	-46.42	283.61	3.84	-42.58
O=C([O-])CNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010773606	0	25	-1.0	-46.20	260.23	2.89	-43.31
NC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(F)C=C1Br	REAL300010773607	0	26	-1.0	-45.04	262.35	-1.29	-46.33
NC(=O)C1=CC(S(=O)(=O)[N-]CC(=O)[O-])=C(F)C=C1Br	REAL300010773607	1	25	-2.0	-113.61	268.40	-1.36	-114.97
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010773608	0	22	-1.0	-41.32	251.39	2.69	-38.63
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773609	0	47	-1.0	-44.61	393.72	6.48	-38.13
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773610	0	37	-1.0	-49.51	323.23	3.90	-45.61
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010773611	0	22	-1.0	-40.31	261.74	3.25	-37.06
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010773611	1	21	-2.0	-109.33	260.54	2.88	-106.45
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773612	0	32	-1.0	-46.92	298.53	3.72	-43.20
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010773613	0	22	-1.0	-42.01	240.38	2.22	-39.79
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010773614	0	36	-1.0	-47.33	321.56	4.61	-42.72
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010773615	0	36	-1.0	-46.35	330.85	4.91	-41.44
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC(=O)[O-])=C2)=N1	REAL300010773616	0	34	-1.0	-48.20	306.07	1.54	-46.66
O=C([O-])CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010773617	0	34	-1.0	-47.97	297.43	2.99	-44.98
COC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300010773618	0	30	-1.0	-45.57	295.27	0.45	-45.12
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC(=O)[O-])C=CC=C12	REAL300010773619	0	34	-1.0	-46.96	304.46	4.41	-42.55
COC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300010773620	0	33	-1.0	-48.49	299.08	0.74	-47.75
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(=O)[O-])=C1F	REAL300010773621	0	28	-1.0	-48.57	271.00	1.98	-46.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773621	1	27	-2.0	-122.43	276.95	1.91	-120.52
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(=O)[O-])=C(Cl)C=C21	REAL300010773622	0	33	-1.0	-56.61	295.61	2.73	-53.88
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300010773623	0	41	-1.0	-44.78	344.83	4.60	-40.18
O=C([O-])CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010773624	0	25	-1.0	-54.76	262.83	1.36	-53.40
O=C([O-])CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010773625	0	35	-1.0	-44.00	314.33	3.87	-40.13
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773626	0	28	-1.0	-50.30	278.86	3.68	-46.62
O=C([O-])CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010773627	0	33	-1.0	-46.83	314.00	5.65	-41.18
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773628	0	25	-1.0	-41.53	255.07	3.11	-38.42
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010773629	0	42	-1.0	-45.93	368.71	6.45	-39.48
CC1=CC=C(Br)C(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300010773630	0	28	-1.0	-47.52	275.25	3.48	-44.04
COC1=CC=CC(Br)=C1CS(=O)(=O)NCC(=O)[O-]	REAL300010773631	0	29	-1.0	-49.83	282.08	2.18	-47.65
O=C([O-])CNS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010773632	0	21	-1.0	-45.96	228.19	-0.11	-46.07
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010773632	1	20	-2.0	-116.06	234.10	-0.15	-116.21
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010773633	0	29	-1.0	-45.44	288.91	0.85	-44.59
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010773634	0	28	-1.0	-42.41	284.59	3.43	-38.98
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773635	0	30	-1.0	-50.52	283.85	2.55	-47.97
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773636	0	25	-1.0	-41.50	264.20	3.52	-37.98
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC(Br)=C1	REAL300010773637	0	22	-1.0	-41.23	255.96	2.79	-38.44
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010773638	0	29	-1.0	-43.84	284.17	1.46	-42.38
CC1=NC(S(=O)(=O)NCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010773639	0	31	-1.0	-51.20	293.60	3.17	-48.03
O=C([O-])CNS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010773640	0	31	-1.0	-43.11	307.53	3.74	-39.37
CN1N=CC(S(=O)(=O)NCC(=O)[O-])=C1I	REAL300010773641	0	22	-1.0	-42.91	230.20	-0.38	-43.29
COC(=O)C1=CC(S(=O)(=O)NCC(=O)[O-])=C(OC)C=C1F	REAL300010773642	0	32	-1.0	-46.31	293.06	2.05	-44.26
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773643	0	32	-1.0	-53.73	286.97	2.36	-51.37
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300010773644	0	38	-1.0	-45.14	323.33	3.80	-41.34
O=C([O-])CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010773645	0	41	-1.0	-47.27	338.98	6.06	-41.21
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773646	0	27	-1.0	-49.06	276.43	1.73	-47.33
COC1=NC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773647	0	25	-1.0	-44.11	253.06	-0.64	-44.75
O=C([O-])CNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010773648	0	27	-1.0	-47.07	268.87	2.40	-44.67
O=C([O-])CNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010773649	0	32	-1.0	-49.22	297.35	2.20	-47.02
O=C([O-])CNS(=O)(=O)CC1=C(Br)SC=N1	REAL300010773650	0	21	-1.0	-48.06	241.61	-0.10	-48.16
O=C([O-])CNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010773651	0	24	-1.0	-44.63	266.87	1.66	-42.97
CS(=O)(=O)N1CCC(CS(=O)(=O)NCC(=O)[O-])C1	REAL300010773652	0	33	-1.0	-54.15	298.97	-1.87	-56.02
O=C([O-])CNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010773653	0	23	-1.0	-43.14	258.52	0.65	-42.49
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010773654	0	24	-2.0	-122.37	259.73	2.33	-120.04
O=C([O-])CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010773654	1	25	-1.0	-45.99	259.95	2.61	-43.38
O=C([O-])CNS(=O)(=O)C1=CSC=C1Br	REAL300010773655	0	19	-1.0	-45.71	210.36	0.63	-45.08
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773656	0	40	-1.0	-50.70	356.74	3.28	-47.42
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2	REAL300010773657	0	33	-1.0	-49.04	305.48	2.41	-46.63
O=C([O-])CNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010773658	0	36	-1.0	-46.26	319.28	2.75	-43.51
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773659	0	25	-1.0	-41.38	264.20	3.51	-37.87
CCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300010773660	0	44	-1.0	-44.46	366.32	5.38	-39.08
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010773661	0	33	-1.0	-49.54	290.63	1.73	-47.81
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)(C)C	REAL300010773662	0	44	-1.0	-44.93	357.38	5.27	-39.66
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1CC	REAL300010773663	0	38	-1.0	-44.62	327.91	4.07	-40.55
COCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773664	0	33	-1.0	-46.61	318.76	1.72	-44.89
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773665	0	36	-1.0	-56.12	305.93	1.23	-54.89
O=C([O-])CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010773666	0	25	-1.0	-48.02	268.66	3.26	-44.76
O=C([O-])CNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010773667	0	25	-1.0	-48.74	259.54	2.86	-45.88
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(=O)[O-]	REAL300010773668	0	28	-1.0	-45.95	274.21	3.45	-42.50
COC1=CC=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C1F	REAL300010773669	0	26	-1.0	-49.77	262.32	1.78	-47.99
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(=O)[O-])=C1F	REAL300010773669	1	25	-2.0	-127.60	261.11	1.42	-126.18
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(=O)OC	REAL300010773670	0	34	-1.0	-48.78	319.05	3.20	-45.58
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773671	0	35	-1.0	-46.31	314.51	2.32	-43.99
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773672	0	38	-1.0	-46.69	328.92	4.35	-42.34
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300010773673	0	42	-1.0	-53.85	340.40	4.02	-49.83
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773674	0	36	-1.0	-46.19	308.92	1.63	-44.56
O=C([O-])CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010773675	0	37	-1.0	-60.27	324.05	4.21	-56.06
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773676	0	36	-1.0	-60.15	314.19	3.49	-56.66
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300010773677	0	37	-1.0	-44.72	342.26	5.41	-39.31
COC(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300010773678	0	34	-1.0	-46.81	304.12	4.42	-42.39
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773679	0	35	-1.0	-51.47	310.40	2.94	-48.53
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773680	0	32	-1.0	-52.24	286.85	2.36	-49.88
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300010773681	0	47	-1.0	-44.64	387.82	6.16	-38.48
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300010773682	0	38	-1.0	-46.00	316.89	3.67	-42.33
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300010773683	0	45	-1.0	-47.43	378.81	4.02	-43.41
COC(=O)C1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773684	0	28	-1.0	-43.01	293.80	3.60	-39.41
COC(=O)C1=CC(Cl)=C(S(=O)(=O)[N-]CC(=O)[O-])C(Br)=C1	REAL300010773684	1	27	-2.0	-113.94	294.03	3.28	-110.66
CC1=C(Br)C(S(=O)(=O)NCC(=O)[O-])=C(C)S1	REAL300010773685	0	25	-1.0	-44.30	258.04	2.94	-41.36
CC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C(Br)=C1	REAL300010773686	0	25	-1.0	-45.89	260.48	3.60	-42.29
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300010773687	0	34	-1.0	-43.27	322.25	4.42	-38.85
COC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1Br	REAL300010773688	0	28	-1.0	-50.38	279.58	2.80	-47.58
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773689	0	39	-1.0	-58.79	323.37	3.66	-55.13
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010773690	0	28	-1.0	-48.53	267.04	2.18	-46.35
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300010773691	0	36	-1.0	-47.16	310.50	3.03	-44.13
O=C([O-])CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010773692	0	26	-1.0	-48.61	261.35	1.80	-46.81
O=C([O-])CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010773693	0	31	-1.0	-53.71	281.70	-1.23	-54.94
N#CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773694	0	23	-1.0	-43.80	253.88	2.45	-41.35
O=C([O-])CNS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010773695	0	38	-1.0	-49.59	357.73	2.52	-47.07
O=C([O-])CNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010773695	1	37	-2.0	-83.57	354.75	0.93	-82.64
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(=O)[O-])=C1	REAL300010773696	0	24	-2.0	-110.43	270.79	0.56	-109.87
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773696	1	25	-1.0	-42.85	272.00	0.93	-41.92
O=C([O-])CNS(=O)(=O)C1=CC=C(I)S1	REAL300010773697	0	19	-1.0	-42.29	233.51	1.75	-40.54
O=C([O-])CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010773698	0	26	-1.0	-51.84	261.30	1.81	-50.03
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010773699	0	22	-2.0	-94.84	244.64	1.21	-93.63
CC1=CC(C)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300010773700	0	28	-1.0	-44.17	267.59	3.64	-40.53
O=C([O-])CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010773701	0	28	-1.0	-43.11	281.58	2.69	-40.42
O=C([O-])CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010773702	0	28	-1.0	-44.24	284.58	3.43	-40.81
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010773703	0	33	-1.0	-48.13	303.10	4.36	-43.77
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773704	0	35	-1.0	-52.07	303.17	-0.04	-52.11
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010773705	0	26	-1.0	-41.30	269.82	2.89	-38.41
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2C=C1	REAL300010773706	0	34	-1.0	-47.23	314.04	4.46	-42.77
O=C([O-])CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010773707	0	31	-1.0	-47.46	302.38	4.15	-43.31
O=C([O-])CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010773708	0	25	-1.0	-41.42	258.51	2.62	-38.80
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010773709	0	25	-1.0	-41.93	265.27	2.97	-38.96
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010773710	0	28	-1.0	-43.82	275.78	2.59	-41.23
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773711	0	27	-1.0	-45.15	264.39	2.06	-43.09
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773712	0	32	-1.0	-43.78	309.56	2.32	-41.46
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010773713	0	22	-1.0	-44.15	236.33	2.23	-41.92
O=C([O-])CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010773714	0	25	-1.0	-45.55	244.68	3.20	-42.35
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010773715	0	24	-1.0	-42.41	267.75	1.77	-40.64
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773716	0	34	-1.0	-54.89	303.12	5.32	-49.57
CN1C=C(S(=O)(=O)NCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010773717	0	36	-1.0	-46.97	311.89	0.66	-46.31
O=C([O-])CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010773718	0	29	-1.0	-43.80	302.70	1.48	-42.32
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773719	0	31	-1.0	-49.47	292.97	3.79	-45.68
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010773720	0	25	-1.0	-45.80	272.64	3.55	-42.25
O=C([O-])CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010773721	0	25	-1.0	-45.67	268.14	3.74	-41.93
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010773721	1	24	-2.0	-122.67	266.91	3.37	-119.30
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010773722	0	33	-1.0	-44.68	302.06	4.40	-40.28
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773723	0	34	-1.0	-49.75	302.43	4.28	-45.47
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1Br	REAL300010773724	0	28	-1.0	-43.09	271.06	3.30	-39.79
O=C([O-])CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010773725	0	27	-1.0	-46.41	274.79	3.03	-43.38
O=C([O-])C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010773725	1	26	-2.0	-122.61	274.91	2.71	-119.90
O=C([O-])CNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010773726	0	28	-1.0	-43.69	288.30	2.84	-40.85
O=C([O-])C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010773726	1	27	-2.0	-116.66	289.40	2.50	-114.16
O=C([O-])CNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010773727	0	26	-1.0	-46.21	263.53	3.25	-42.96
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC(=O)[O-])=C2	REAL300010773728	0	28	-1.0	-44.33	298.46	2.77	-41.56
O=C([O-])C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010773729	0	21	-2.0	-119.10	241.96	2.09	-117.01
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773730	0	24	-1.0	-46.05	247.23	0.49	-45.56
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773730	1	23	-2.0	-114.23	253.16	0.45	-113.78
O=C([O-])CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010773731	0	27	-1.0	-53.03	269.82	2.73	-50.30
O=C([O-])CNS(=O)(=O)C1=CC=C(NC(=O)C(F)F)C(Br)=C1	REAL300010773732	0	29	-1.0	-48.97	301.21	1.51	-47.46
O=C([O-])CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010773733	0	27	-1.0	-52.13	266.52	2.54	-49.59
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773734	0	24	-1.0	-46.05	247.23	0.49	-45.56
O=C([O-])C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010773734	1	23	-2.0	-114.23	253.16	0.45	-113.78
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010773735	0	25	-1.0	-45.80	272.64	3.55	-42.25
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773736	0	26	-1.0	-50.04	265.22	2.55	-47.49
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773736	1	25	-2.0	-129.30	264.01	2.19	-127.11
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300010773737	0	36	-1.0	-45.96	317.95	3.06	-42.90
O=C([O-])CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010773738	0	28	-1.0	-48.30	282.04	-0.85	-49.15
O=C([O-])CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010773739	0	26	-1.0	-44.82	266.56	3.35	-41.47
O=C([O-])CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010773740	0	26	-1.0	-44.77	266.56	3.36	-41.41
CCOC(=O)C1=NC(S(=O)(=O)NCC(=O)[O-])=C2C=CC=CN12	REAL300010773741	0	34	-1.0	-55.68	313.78	3.40	-52.28
COC(=O)C1=CN2C=NC(S(=O)(=O)NCC(=O)[O-])=C2C=C1	REAL300010773742	0	31	-1.0	-52.23	294.78	3.44	-48.79
O=C([O-])CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010773743	0	32	-1.0	-48.77	296.66	4.44	-44.33
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300010773744	0	44	-1.0	-45.61	342.95	5.73	-39.88
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773745	0	26	-1.0	-46.64	264.01	2.70	-43.94
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773745	1	25	-2.0	-124.14	262.79	2.42	-121.72
O=C([O-])CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010773746	0	26	-1.0	-46.85	262.07	2.30	-44.55
O=C([O-])CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010773747	0	25	-1.0	-48.95	242.96	3.10	-45.85
O=C([O-])CNS(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F	REAL300010773748	0	26	-1.0	-46.77	269.35	2.98	-43.79
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010773749	0	31	-1.0	-43.93	292.23	2.03	-41.90
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773750	0	35	-1.0	-47.22	304.39	3.96	-43.26
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010773751	0	39	-1.0	-46.02	331.79	3.45	-42.57
O=C([O-])CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010773752	0	25	-1.0	-44.37	269.62	2.97	-41.40
O=C([O-])CNS(=O)(=O)C1=C(I)C=CS1	REAL300010773753	0	19	-1.0	-43.37	227.71	1.43	-41.94
O=C([O-])C[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010773753	1	18	-2.0	-115.77	230.65	1.21	-114.56
O=C([O-])CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010773754	0	33	-1.0	-47.49	303.79	4.47	-43.02
O=C([O-])CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010773755	0	27	-1.0	-48.01	268.24	0.13	-47.88
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010773756	0	19	-1.0	-40.09	249.12	2.22	-37.87
O=C([O-])C[N-]S(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010773756	1	18	-2.0	-109.83	247.91	1.85	-107.98
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010773757	0	23	-1.0	-48.08	248.37	0.42	-47.66
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300010773758	0	31	-1.0	-41.93	305.86	3.94	-37.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010773759	0	32	-1.0	-44.48	304.29	5.48	-39.00
COC(=O)C1=C(S(=O)(=O)NCC(=O)[O-])C=C(Cl)S1	REAL300010773760	0	25	-1.0	-47.82	268.94	2.57	-45.25
CCC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773761	0	28	-1.0	-42.70	272.41	3.42	-39.28
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773762	0	36	-1.0	-49.00	310.46	1.88	-47.12
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1	REAL300010773763	0	33	-1.0	-44.20	323.34	5.02	-39.18
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010773764	0	28	-1.0	-45.57	278.20	1.38	-44.19
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC(=O)[O-]	REAL300010773765	0	36	-1.0	-54.07	321.65	2.23	-51.84
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010773766	0	37	-1.0	-45.25	315.25	1.93	-43.32
O=C([O-])CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010773767	0	25	-1.0	-54.76	262.83	1.36	-53.40
O=C([O-])CNS(=O)(=O)C1=CC=C(I)S1	REAL300010773768	0	19	-1.0	-42.29	233.51	1.75	-40.54
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773769	0	26	-1.0	-46.54	255.18	2.00	-44.54
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773770	0	31	-1.0	-50.84	295.29	0.59	-50.25
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300010773770	1	30	-2.0	-91.07	292.00	-0.54	-91.61
O=C([O-])CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010773771	0	26	-1.0	-44.15	276.23	3.67	-40.48
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010773772	0	27	-1.0	-45.93	266.51	3.80	-42.13
O=C([O-])C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010773773	0	20	-2.0	-124.26	233.04	0.02	-124.24
O=C([O-])CNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010773773	1	21	-1.0	-47.65	234.26	0.40	-47.25
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300010773774	0	36	-1.0	-45.12	322.18	5.12	-40.00
O=C([O-])CNS(=O)(=O)C1=CSC=C1Br	REAL300010773775	0	19	-1.0	-45.71	210.36	0.63	-45.08
CC1=CC(Br)=NC=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773776	0	24	-1.0	-42.23	245.07	1.14	-41.09
CC1=CC=C(I)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773777	0	25	-1.0	-43.21	256.69	3.45	-39.76
O=C([O-])CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010773778	0	33	-1.0	-46.76	297.59	5.67	-41.09
O=C([O-])CNS(=O)(=O)C1=CC=C(I)C=C1Cl	REAL300010773779	0	22	-1.0	-43.39	242.83	2.70	-40.69
CC1=NC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300010773780	0	24	-1.0	-45.19	248.95	0.77	-44.42
O=C([O-])C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010773781	0	20	-2.0	-116.44	240.20	0.58	-115.86
O=C([O-])CNS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010773781	1	21	-1.0	-43.88	239.11	1.10	-42.78
COC1=CC=C(I)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773782	0	26	-1.0	-45.81	264.19	2.12	-43.69
O=C([O-])CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010773783	0	26	-1.0	-43.31	257.59	1.10	-42.21
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300010773784	0	45	-1.0	-45.63	384.85	6.76	-38.87
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(=O)OC	REAL300010773785	0	35	-1.0	-47.75	317.31	3.17	-44.58
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2C1	REAL300010773786	0	35	-1.0	-48.31	312.66	4.08	-44.23
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773787	0	28	-1.0	-43.73	270.59	-0.30	-44.03
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300010773788	0	28	-1.0	-46.25	279.95	3.62	-42.63
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(=O)[O-]	REAL300010773788	1	27	-2.0	-121.74	279.90	3.34	-118.40
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1I	REAL300010773789	0	22	-1.0	-45.86	234.57	2.82	-43.04
COC1=CC=C(I)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773790	0	26	-1.0	-45.81	264.19	2.12	-43.69
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2C=C1	REAL300010773791	0	33	-1.0	-46.66	309.98	2.55	-44.11
O=C([O-])C[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010773792	0	17	-2.0	-108.50	216.08	-0.40	-108.90
O=C([O-])CNS(=O)(=O)C1=C(Br)C=NS1	REAL300010773792	1	18	-1.0	-40.52	217.29	-0.04	-40.56
NC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300010773793	0	24	-1.0	-44.78	249.73	0.05	-44.73
O=C([O-])CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010773794	0	29	-1.0	-48.80	279.00	2.18	-46.62
O=C([O-])CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010773795	0	26	-2.0	-100.12	261.82	1.51	-98.61
O=C([O-])CNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010773795	1	27	-1.0	-48.08	264.41	0.56	-47.52
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)CCCC1	REAL300010773796	0	38	-1.0	-57.73	321.30	7.12	-50.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2Cl)CCCC1	REAL300010773797	0	31	-1.0	-56.00	272.31	3.02	-52.98
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCCC1	REAL300010773798	0	32	-1.0	-58.53	284.65	4.89	-53.64
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CCCC1	REAL300010773799	0	32	-1.0	-57.53	280.66	5.07	-52.46
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010773800	0	44	-1.0	-56.19	322.38	6.79	-49.40
COC(=O)CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010773801	0	41	-1.0	-49.45	330.55	4.28	-45.17
COC(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773802	0	38	-1.0	-64.74	307.88	5.81	-58.93
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773803	0	41	-1.0	-57.16	339.97	5.86	-51.30
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)CCCC1	REAL300010773804	0	32	-1.0	-38.93	289.70	4.74	-34.19
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010773805	0	38	-1.0	-54.57	318.86	5.02	-49.55
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773806	0	44	-1.0	-58.19	339.55	6.46	-51.73
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773807	0	41	-1.0	-58.21	323.58	6.20	-52.01
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773808	0	44	-1.0	-58.04	342.03	6.86	-51.18
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773809	0	43	-1.0	-58.95	358.92	2.14	-56.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CCCC1	REAL300010773810	0	36	-1.0	-59.41	299.08	0.96	-58.45
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773811	0	42	-1.0	-60.83	345.54	3.15	-57.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CCCC1	REAL300010773812	0	34	-1.0	-50.45	305.24	5.58	-44.87
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC=C2Cl)CCCC1	REAL300010773813	0	32	-1.0	-58.29	285.69	5.43	-52.86
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)S2)CCCC1	REAL300010773814	0	29	-1.0	-55.09	270.71	3.92	-51.17
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773815	0	41	-1.0	-58.24	327.74	6.36	-51.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2Cl)CCCC1	REAL300010773816	0	32	-1.0	-53.47	298.32	5.52	-47.95
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010773817	0	36	-1.0	-54.76	313.26	4.24	-50.52
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773818	0	43	-1.0	-53.62	346.50	2.59	-51.03
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCC1	REAL300010773819	0	32	-1.0	-49.33	280.88	4.39	-44.94
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCCC1	REAL300010773819	1	31	-2.0	-121.93	281.40	4.76	-117.17
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CCCC1	REAL300010773820	0	32	-1.0	-52.49	296.80	5.16	-47.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Cl)CCCC1	REAL300010773821	0	32	-1.0	-57.85	277.28	4.92	-52.93
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773822	0	44	-1.0	-62.19	372.84	5.45	-56.74
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773823	0	44	-1.0	-69.95	360.49	6.32	-63.63
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCCC1	REAL300010773824	0	31	-2.0	-140.06	274.74	4.46	-135.60
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2F)CCCC1	REAL300010773824	1	32	-1.0	-63.47	273.46	4.50	-58.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)N=C2)CCCC1	REAL300010773825	0	31	-1.0	-51.39	275.23	2.91	-48.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2F)CCCC1	REAL300010773826	0	32	-1.0	-54.32	286.32	4.89	-49.43
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CCCC1	REAL300010773827	0	35	-1.0	-36.80	299.97	5.67	-31.13
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300010773828	0	35	-1.0	-54.80	302.85	5.46	-49.34
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1NC(C)=O	REAL300010773829	0	43	-1.0	-64.35	346.12	2.62	-61.73
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCCC1	REAL300010773830	0	36	-1.0	-55.14	309.34	4.06	-51.08
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1C	REAL300010773831	0	47	-1.0	-59.02	337.65	7.38	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCCC1	REAL300010773832	0	41	-1.0	-55.84	326.17	4.21	-51.63
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010773833	0	37	-1.0	-66.05	306.78	5.48	-60.57
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)S2)CCCC1	REAL300010773834	0	29	-1.0	-55.15	275.35	4.04	-51.11
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010773835	0	38	-1.0	-54.14	320.07	6.75	-47.39
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773836	0	36	-1.0	-43.81	310.40	4.10	-39.71
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773837	0	50	-1.0	-56.88	366.46	8.13	-48.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCCC1	REAL300010773838	0	48	-1.0	-57.89	365.21	8.08	-49.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCCC1	REAL300010773839	0	35	-1.0	-54.13	302.08	5.27	-48.86
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CCCC1	REAL300010773840	0	42	-1.0	-58.61	326.07	6.75	-51.86
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773841	0	40	-1.0	-48.16	319.87	2.97	-45.19
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300010773842	0	40	-1.0	-59.06	322.07	3.48	-55.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CCCC1	REAL300010773843	0	42	-1.0	-56.97	360.58	3.86	-53.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCC3=C2)CCCC1	REAL300010773844	0	39	-1.0	-59.77	308.90	6.18	-53.59
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010773845	0	39	-1.0	-61.70	336.76	2.43	-59.27
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCCC1	REAL300010773846	0	40	-1.0	-58.38	315.37	6.65	-51.73
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2F)CCCC1	REAL300010773847	0	32	-1.0	-57.28	274.76	4.34	-52.94
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCC1	REAL300010773847	1	31	-2.0	-132.22	275.23	4.70	-127.52
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773848	0	42	-1.0	-75.45	331.89	3.80	-71.65
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCC1	REAL300010773849	0	29	-1.0	-37.03	283.64	3.90	-33.13
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCC1	REAL300010773849	1	28	-2.0	-123.03	286.19	4.74	-118.29
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773850	0	47	-1.0	-58.23	366.80	7.64	-50.59
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCC1	REAL300010773851	0	38	-1.0	-45.77	301.79	6.01	-39.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCCC1	REAL300010773852	0	42	-1.0	-58.73	337.53	7.68	-51.05
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CCCC1	REAL300010773853	0	35	-1.0	-52.61	315.76	5.90	-46.71
CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773854	0	35	-1.0	-60.90	281.98	4.96	-55.94
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCCC1	REAL300010773855	0	32	-1.0	-51.96	302.36	5.93	-46.03
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCCC1	REAL300010773855	1	31	-2.0	-121.87	302.95	6.37	-115.50
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773856	0	47	-1.0	-58.08	353.78	7.06	-51.02
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010773857	0	35	-1.0	-59.19	298.81	5.25	-53.94
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CCCC1	REAL300010773858	0	32	-1.0	-49.40	282.33	4.33	-45.07
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010773859	0	35	-1.0	-59.24	291.01	5.05	-54.19
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCCC1	REAL300010773860	0	31	-2.0	-123.33	295.82	5.30	-118.03
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCCC1	REAL300010773860	1	32	-1.0	-52.01	297.08	5.04	-46.97
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CCCC1	REAL300010773861	0	35	-1.0	-57.10	307.06	5.27	-51.83
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCCC1	REAL300010773862	0	32	-1.0	-51.72	297.08	5.04	-46.68
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCCC1	REAL300010773862	1	31	-2.0	-122.50	295.82	5.30	-117.20
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCC1	REAL300010773863	0	32	-1.0	-52.09	282.78	4.49	-47.60
O=C([O-])C1([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCC1	REAL300010773863	1	31	-2.0	-121.85	281.51	4.75	-117.10
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NON=C32)CCCC1	REAL300010773864	0	33	-1.0	-55.16	280.02	3.06	-52.10
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010773865	0	35	-1.0	-54.43	290.07	4.97	-49.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CCCC1	REAL300010773866	0	35	-1.0	-50.75	307.67	5.33	-45.42
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)CCCC1	REAL300010773867	0	37	-1.0	-49.46	301.86	4.21	-45.25
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CCCC1	REAL300010773868	0	35	-1.0	-36.63	289.65	5.22	-31.41
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CCCC1	REAL300010773869	0	43	-1.0	-58.15	368.58	7.72	-50.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2F)CCCC1	REAL300010773870	0	32	-1.0	-54.97	286.33	4.86	-50.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C=C2Br)CCCC1	REAL300010773871	0	32	-1.0	-53.08	286.41	5.13	-47.95
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773872	0	38	-1.0	-39.95	318.59	4.33	-35.62
CC1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773873	0	35	-1.0	-58.37	289.75	4.94	-53.43
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010773874	0	36	-1.0	-54.67	299.06	3.63	-51.04
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010773875	0	35	-1.0	-60.55	290.07	4.84	-55.71
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCC1	REAL300010773876	0	31	-2.0	-130.23	277.53	4.92	-125.31
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCC1	REAL300010773876	1	32	-1.0	-55.97	279.82	4.57	-51.40
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(F)=C2)CCCC1	REAL300010773877	0	32	-1.0	-55.36	290.36	4.94	-50.42
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)C=C1	REAL300010773878	0	47	-1.0	-58.38	380.95	6.42	-51.96
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010773879	0	39	-1.0	-60.17	333.77	3.82	-56.35
CN(C1CCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773880	0	43	-1.0	-60.18	311.49	4.45	-55.73
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010773881	0	48	-1.0	-47.61	369.37	6.94	-40.67
N#CC1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773882	0	36	-1.0	-63.71	307.86	5.38	-58.33
CC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010773883	0	35	-1.0	-57.82	303.03	6.06	-51.76
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCCC1	REAL300010773884	0	35	-1.0	-55.37	318.91	5.96	-49.41
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010773885	0	42	-1.0	-47.02	330.09	5.36	-41.66
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(N)=O	REAL300010773886	0	39	-1.0	-54.66	312.79	1.73	-52.93
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(N)=O	REAL300010773887	0	40	-1.0	-58.90	325.15	1.65	-57.25
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773888	0	37	-1.0	-41.13	306.26	5.28	-35.85
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010773889	0	39	-1.0	-65.24	325.94	3.25	-61.99
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773890	0	37	-1.0	-41.25	300.01	5.12	-36.13
CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010773891	0	32	-1.0	-49.63	279.31	4.32	-45.31
CN1C=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1Cl	REAL300010773891	1	31	-2.0	-138.96	281.83	4.09	-134.87
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773892	0	35	-1.0	-59.38	291.16	4.87	-54.51
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773893	0	38	-1.0	-54.26	334.85	5.30	-48.96
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=N2)CCCC1	REAL300010773894	0	31	-1.0	-45.63	278.00	3.64	-41.99
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773895	0	41	-1.0	-71.63	348.37	2.33	-69.30
CC(=O)NC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010773896	0	39	-1.0	-60.69	323.17	3.29	-57.40
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010773897	0	46	-1.0	-79.36	355.40	5.95	-73.41
CS(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773898	0	37	-1.0	-75.31	309.58	0.10	-75.21
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1C	REAL300010773899	0	42	-1.0	-58.70	320.86	4.83	-53.87
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2Br)CCCC1	REAL300010773900	0	32	-1.0	-56.20	285.02	5.01	-51.19
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010773901	0	43	-1.0	-57.51	346.66	3.65	-53.86
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2)CCCC1	REAL300010773902	0	35	-1.0	-59.96	306.24	5.31	-54.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(Cl)=C2)CCCC1	REAL300010773903	0	32	-1.0	-54.84	299.48	5.34	-49.50
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773904	0	45	-1.0	-67.12	367.03	3.93	-63.19
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773905	0	46	-1.0	-49.65	372.28	2.67	-46.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773906	0	40	-1.0	-65.62	321.85	6.69	-58.93
CC(C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773907	0	44	-1.0	-58.33	344.50	6.96	-51.37
COCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773908	0	42	-1.0	-58.18	339.91	4.65	-53.53
COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773909	0	44	-1.0	-66.79	332.47	1.82	-64.97
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773910	0	35	-1.0	-59.80	292.31	5.41	-54.39
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773911	0	48	-1.0	-57.24	375.26	6.60	-50.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCCC1	REAL300010773912	0	46	-1.0	-56.29	357.28	6.51	-49.78
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773913	0	45	-1.0	-57.56	356.30	5.99	-51.57
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773914	0	42	-1.0	-56.67	336.19	5.30	-51.37
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010773915	0	36	-1.0	-54.73	308.87	4.13	-50.60
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCCC1	REAL300010773916	0	36	-1.0	-57.27	318.62	4.39	-52.88
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010773917	0	39	-1.0	-57.01	312.90	4.18	-52.83
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1OC(C)C	REAL300010773918	0	45	-1.0	-56.66	352.46	5.93	-50.73
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300010773919	0	39	-1.0	-45.68	307.51	3.92	-41.76
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773920	0	43	-1.0	-60.01	348.32	3.77	-56.24
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2F)CCCC1	REAL300010773921	0	35	-1.0	-64.41	289.60	4.81	-59.60
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773922	0	43	-1.0	-72.66	354.11	3.94	-68.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CCCC1	REAL300010773923	0	47	-1.0	-56.14	367.65	3.73	-52.41
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Br)=C1	REAL300010773924	0	35	-1.0	-58.19	301.43	5.73	-52.46
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773925	0	38	-1.0	-42.57	334.18	1.83	-40.74
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773926	0	38	-1.0	-62.10	322.52	6.18	-55.92
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCCC1	REAL300010773927	0	37	-1.0	-60.30	303.19	4.70	-55.60
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773928	0	36	-1.0	-60.27	301.80	4.52	-55.75
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010773928	1	35	-2.0	-130.00	304.57	4.55	-125.45
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773929	0	36	-1.0	-38.62	296.21	4.94	-33.68
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010773930	0	33	-1.0	-55.11	290.39	4.76	-50.35
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773931	0	36	-1.0	-36.09	317.05	4.94	-31.15
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1OC	REAL300010773932	0	42	-1.0	-56.97	345.43	4.97	-52.00
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010773933	0	41	-1.0	-54.50	333.22	5.53	-48.97
COC(=O)CCN(C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773934	0	39	-1.0	-58.68	316.53	3.14	-55.54
CS(=O)(=O)N1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010773935	0	42	-1.0	-63.32	326.64	-0.38	-63.70
CN(C1CCOCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773936	0	41	-1.0	-58.58	304.26	2.22	-56.36
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CCCC1	REAL300010773937	0	41	-1.0	-69.91	332.03	4.34	-65.57
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=NN1C1=CC=CC=N1	REAL300010773938	0	41	-1.0	-60.99	336.67	5.66	-55.33
CCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010773939	0	41	-1.0	-53.42	320.90	3.99	-49.43
CC(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010773940	0	38	-1.0	-53.70	308.75	3.20	-50.50
CC(C)CN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773941	0	41	-1.0	-52.68	325.47	6.07	-46.61
CC(C)N1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773942	0	38	-1.0	-52.58	306.37	5.20	-47.38
CC(C)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1	REAL300010773943	0	38	-1.0	-53.90	304.74	3.21	-50.69
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773944	0	44	-1.0	-61.60	313.64	6.57	-55.03
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CCCC1	REAL300010773945	0	45	-1.0	-49.52	364.94	6.60	-42.92
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773946	0	40	-1.0	-75.22	328.46	3.71	-71.51
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(F)=C1Cl	REAL300010773947	0	38	-2.0	-137.55	341.43	4.33	-133.22
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CCCC1	REAL300010773948	0	39	-1.0	-57.57	328.66	5.48	-52.09
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010773949	0	38	-1.0	-52.42	332.37	5.08	-47.34
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Cl)=C1Cl	REAL300010773950	0	36	-1.0	-52.93	319.22	4.60	-48.33
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=NN1C1=CC=C(Cl)C=C1	REAL300010773951	0	42	-1.0	-59.10	357.30	6.36	-52.74
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(Br)O1	REAL300010773952	0	35	-1.0	-42.34	320.37	3.32	-39.02
COC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(Br)O1	REAL300010773952	1	34	-2.0	-118.54	321.92	4.02	-114.52
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C(Br)S1	REAL300010773953	0	32	-1.0	-57.17	290.59	4.66	-52.51
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1	REAL300010773954	0	36	-1.0	-56.80	307.09	2.54	-54.26
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010773955	0	33	-1.0	-56.14	299.55	5.07	-51.07
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010773956	0	40	-1.0	-59.57	313.69	6.95	-52.62
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773957	0	38	-1.0	-63.52	330.22	5.45	-58.07
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773958	0	41	-1.0	-70.86	336.70	2.42	-68.44
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(F)(F)F)=C1	REAL300010773959	0	36	-1.0	-35.79	304.00	5.57	-30.22
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300010773960	0	33	-1.0	-49.90	299.57	4.94	-44.96
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773961	0	48	-1.0	-62.44	374.18	6.05	-56.39
O=C([O-])C1(NS(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CCCC1	REAL300010773962	0	43	-1.0	-62.72	351.39	4.25	-58.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCCC1	REAL300010773963	0	44	-1.0	-59.06	372.35	2.12	-56.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773964	0	40	-1.0	-59.27	339.96	0.31	-58.96
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010773965	0	42	-1.0	-67.46	358.54	3.20	-64.26
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)O1	REAL300010773966	0	35	-1.0	-59.26	304.47	3.13	-56.13
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)O1	REAL300010773966	1	34	-2.0	-122.71	302.86	3.38	-119.33
COC(=O)C1=C(C)OC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773967	0	38	-1.0	-56.30	323.67	4.00	-52.30
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010773968	0	34	-1.0	-42.20	285.73	2.35	-39.85
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010773969	0	33	-2.0	-143.94	287.34	6.09	-137.85
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCC1	REAL300010773969	1	34	-1.0	-69.37	286.27	5.74	-63.63
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCCC1	REAL300010773970	0	35	-1.0	-58.93	317.81	5.79	-53.14
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C)N1	REAL300010773971	0	45	-1.0	-62.90	359.26	4.75	-58.15
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2Br)CCCC1	REAL300010773972	0	32	-1.0	-55.76	272.74	4.74	-51.02
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCC1	REAL300010773972	1	31	-2.0	-131.81	282.96	5.46	-126.35
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)S2)=CS1	REAL300010773973	0	38	-1.0	-57.50	342.15	4.78	-52.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCCC1	REAL300010773974	0	52	-1.0	-55.99	397.91	7.75	-48.24
O=C([O-])C1(NS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)CCCC1	REAL300010773975	0	42	-1.0	-68.99	360.62	3.85	-65.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(I)=C2)CCCC1	REAL300010773976	0	32	-1.0	-58.24	291.13	5.36	-52.88
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773977	0	41	-1.0	-68.59	330.31	5.55	-63.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CCCC1	REAL300010773978	0	34	-1.0	-54.34	298.07	6.29	-48.05
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300010773979	0	40	-1.0	-56.47	326.99	3.48	-52.99
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300010773980	0	43	-1.0	-60.88	334.49	4.10	-56.78
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCCC1	REAL300010773981	0	33	-2.0	-130.34	312.81	7.05	-123.29
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CCCC1	REAL300010773981	1	34	-1.0	-55.72	310.68	6.73	-48.99
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CCCC1	REAL300010773982	0	35	-1.0	-62.57	303.56	5.04	-57.53
N#CC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773983	0	33	-1.0	-55.29	288.41	4.69	-50.60
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773984	0	33	-1.0	-36.74	295.05	4.47	-32.27
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010773985	0	35	-1.0	-59.00	302.84	5.33	-53.67
CC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773986	0	35	-1.0	-40.38	279.76	4.46	-35.92
COC(=O)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010773987	0	38	-1.0	-56.25	323.23	2.88	-53.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CCCC1	REAL300010773988	0	38	-1.0	-43.11	316.15	6.43	-36.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CCCC1	REAL300010773989	0	37	-1.0	-35.25	311.50	5.83	-29.42
CC1=C(Br)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010773990	0	32	-1.0	-55.06	295.91	4.53	-50.53
N#CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010773991	0	36	-1.0	-65.29	305.59	5.31	-59.98
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(F)=C1F	REAL300010773992	0	38	-1.0	-52.19	328.95	4.87	-47.32
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCCC1	REAL300010773993	0	50	-1.0	-57.67	338.87	5.62	-52.05
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C2C=C1	REAL300010773994	0	40	-1.0	-50.20	322.37	4.93	-45.27
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCCC1	REAL300010773995	0	43	-1.0	-58.22	340.86	2.72	-55.50
CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Br	REAL300010773996	0	35	-1.0	-40.99	294.19	4.98	-36.01
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010773997	0	38	-1.0	-56.57	317.15	5.20	-51.37
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCCC1	REAL300010773998	0	40	-1.0	-57.94	321.72	1.94	-56.00
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1[N+](=O)[O-]	REAL300010773999	0	38	-1.0	-53.20	318.87	5.02	-48.18
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774000	0	38	-1.0	-60.87	314.65	5.90	-54.97
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1F	REAL300010774375	0	39	-1.0	-54.42	310.26	4.24	-50.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCCC1	REAL300010774376	0	39	-1.0	-59.97	327.71	4.82	-55.15
COC(=O)C1CCCCC1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774377	0	44	-1.0	-51.42	333.14	5.40	-46.02
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774378	0	47	-1.0	-59.12	353.26	5.04	-54.08
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774379	0	40	-1.0	-54.90	335.02	6.49	-48.41
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774380	0	39	-1.0	-60.05	318.53	3.19	-56.86
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774381	0	40	-1.0	-52.01	323.83	6.30	-45.71
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCCC1	REAL300010774382	0	37	-1.0	-60.76	322.08	4.75	-56.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)C=C2)CCCC1	REAL300010774383	0	32	-1.0	-54.56	291.13	5.37	-49.19
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300010774384	0	34	-1.0	-61.94	281.40	5.78	-56.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774385	0	29	-1.0	-58.28	269.30	3.06	-55.22
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774385	1	28	-2.0	-123.20	267.70	3.32	-119.88
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300010774386	0	42	-1.0	-70.76	318.14	5.18	-65.58
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300010774387	0	44	-1.0	-41.72	312.96	5.23	-36.49
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774388	0	34	-1.0	-53.95	291.57	4.94	-49.01
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774389	0	36	-1.0	-55.95	314.14	4.18	-51.77
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1C	REAL300010774390	0	42	-1.0	-57.52	346.73	5.22	-52.30
O=C([O-])C1(NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CCCC1	REAL300010774391	0	45	-1.0	-69.34	372.20	5.16	-64.18
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C12	REAL300010774392	0	39	-1.0	-50.86	324.62	1.98	-48.88
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774393	0	34	-1.0	-54.37	291.63	2.88	-51.49
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CCCC1	REAL300010774394	0	44	-1.0	-57.70	346.60	5.76	-51.94
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2Cl)CCCC1	REAL300010774395	0	32	-1.0	-57.25	271.40	4.65	-52.60
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCCC1	REAL300010774395	1	31	-2.0	-134.05	279.37	5.33	-128.72
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Cl)=N1	REAL300010774396	0	34	-1.0	-55.58	293.92	3.63	-51.95
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774397	0	37	-1.0	-39.98	311.22	4.06	-35.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCCC1	REAL300010774398	0	39	-1.0	-56.18	327.96	5.35	-50.83
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774399	0	36	-1.0	-54.16	318.56	5.74	-48.42
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774400	0	34	-1.0	-50.49	301.87	4.59	-45.90
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774401	0	42	-1.0	-70.70	343.65	0.62	-70.08
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN=C1Cl	REAL300010774402	0	35	-1.0	-50.40	304.22	2.25	-48.15
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774403	0	37	-1.0	-62.12	304.59	4.68	-57.44
CCN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774404	0	41	-1.0	-64.62	339.26	5.11	-59.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCCC1	REAL300010774405	0	47	-1.0	-62.75	377.10	4.57	-58.18
O=C([O-])C1(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CCCC1	REAL300010774406	0	31	-1.0	-59.42	283.29	4.09	-55.33
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774407	0	50	0.0	-89.47	376.95	5.23	-84.24
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774408	0	41	-1.0	-61.45	327.83	6.12	-55.33
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774409	0	38	-1.0	-62.19	313.72	5.70	-56.49
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774410	0	35	-1.0	-42.33	299.33	5.22	-37.11
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCCC1	REAL300010774411	0	36	-1.0	-47.04	299.67	3.73	-43.31
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2F)CCCC1	REAL300010774412	0	32	-1.0	-54.05	290.89	4.99	-49.06
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774413	0	40	-1.0	-66.59	316.39	4.37	-62.22
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300010774414	0	59	-1.0	-58.94	450.07	8.67	-50.27
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCCC1	REAL300010774415	0	41	-1.0	-59.25	321.13	5.58	-53.67
CC1=CC=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774416	0	35	-1.0	-65.24	283.46	5.12	-60.12
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774417	0	46	-1.0	-44.06	382.90	5.21	-38.85
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774418	0	33	-1.0	-38.91	294.28	4.70	-34.21
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=CS1	REAL300010774419	0	34	-1.0	-64.44	290.96	2.46	-61.98
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCCC1	REAL300010774420	0	35	-1.0	-62.57	307.66	3.24	-59.33
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CCCC1	REAL300010774421	0	38	-1.0	-56.34	329.40	7.19	-49.15
COC(=O)CCCCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774422	0	43	-1.0	-67.05	344.40	4.92	-62.13
CN1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CN=C21	REAL300010774423	0	37	-1.0	-57.53	307.70	3.18	-54.35
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774424	0	40	-1.0	-57.12	329.35	2.52	-54.60
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CCCC1	REAL300010774426	0	35	-1.0	-51.29	318.81	5.65	-45.64
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774427	0	43	-1.0	-60.49	312.57	2.17	-58.32
COC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774428	0	38	-1.0	-49.54	326.84	5.10	-44.44
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774429	0	42	-1.0	-51.98	353.32	3.66	-48.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)CCCC1	REAL300010774430	0	43	-1.0	-60.52	362.32	6.10	-54.42
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774431	0	42	-1.0	-60.12	335.36	4.87	-55.25
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCCC1	REAL300010774432	0	35	-1.0	-59.67	302.79	2.95	-56.72
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCCC1	REAL300010774433	0	43	-1.0	-60.72	341.75	5.41	-55.31
CC1=CC=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C12	REAL300010774434	0	40	-1.0	-49.97	319.96	4.76	-45.21
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)CCCC1	REAL300010774435	0	35	-1.0	-66.57	297.53	5.20	-61.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CCCC1	REAL300010774436	0	35	-1.0	-53.23	308.32	5.38	-47.85
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774437	0	35	-1.0	-57.85	306.05	5.42	-52.43
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774438	0	36	-1.0	-43.82	295.28	4.76	-39.06
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774439	0	43	-1.0	-70.30	343.24	4.48	-65.82
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCCC1	REAL300010774440	0	44	-1.0	-70.26	353.50	3.59	-66.67
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCCC1	REAL300010774441	0	40	-1.0	-54.27	332.81	5.45	-48.82
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774442	0	42	-1.0	-51.98	353.32	3.66	-48.32
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774443	0	40	-1.0	-60.37	315.87	4.69	-55.68
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)CCCC1	REAL300010774444	0	35	-1.0	-55.35	309.59	5.56	-49.79
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(OC)=C1	REAL300010774445	0	42	-1.0	-44.39	345.07	4.34	-40.05
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=CS1	REAL300010774446	0	38	-1.0	-62.08	312.44	4.57	-57.51
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300010774447	0	36	-1.0	-53.06	299.06	3.51	-49.55
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774448	0	43	-1.0	-66.22	351.68	4.28	-61.94
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774449	0	46	-1.0	-63.46	377.90	5.36	-58.10
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774450	0	41	-1.0	-62.38	313.26	6.24	-56.14
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCCC1	REAL300010774451	0	46	-1.0	-61.77	377.04	7.56	-54.21
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774452	0	40	-1.0	-47.81	338.09	5.93	-41.88
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774453	0	44	0.0	-89.59	341.72	6.18	-83.41
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774454	0	40	-1.0	-60.13	314.83	4.67	-55.46
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300010774455	0	47	-1.0	-54.14	387.02	6.83	-47.31
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CS2)CCCC1	REAL300010774456	0	35	-1.0	-59.11	296.09	4.66	-54.45
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774457	0	44	-1.0	-68.36	352.18	6.48	-61.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCC1	REAL300010774458	0	32	-1.0	-48.98	297.31	5.34	-43.64
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCCC1	REAL300010774458	1	31	-2.0	-120.20	298.49	5.69	-114.51
CC1=C(Cl)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774459	0	32	-1.0	-54.87	291.68	4.43	-50.44
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCCC1	REAL300010774460	0	38	-1.0	-56.80	306.45	4.76	-52.04
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774461	0	36	-1.0	-57.74	299.08	3.67	-54.07
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1[N+](=O)[O-]	REAL300010774462	0	40	-1.0	-74.58	320.18	7.41	-67.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCCC1	REAL300010774463	0	38	-1.0	-59.77	324.33	5.92	-53.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1[N+](=O)[O-]	REAL300010774464	0	42	-1.0	-40.41	347.26	6.68	-33.73
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774465	0	35	-1.0	-56.06	302.81	5.57	-50.49
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCCC1	REAL300010774466	0	37	-1.0	-56.01	304.59	4.62	-51.39
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774467	0	38	-1.0	-64.31	311.01	5.49	-58.82
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774468	0	40	-1.0	-43.71	318.35	5.57	-38.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)CCCC1	REAL300010774469	0	32	-1.0	-38.72	292.48	4.87	-33.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1[N+](=O)[O-]	REAL300010774470	0	42	-1.0	-40.41	347.26	6.68	-33.73
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)CCCC1	REAL300010774471	0	31	-1.0	-49.94	281.11	2.96	-46.98
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CCCC1	REAL300010774472	0	32	-1.0	-55.06	299.48	5.34	-49.72
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCCC1	REAL300010774473	0	43	-1.0	-51.18	359.92	3.97	-47.21
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCCC1	REAL300010774474	0	31	-2.0	-127.11	287.29	4.47	-122.64
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774475	0	42	-1.0	-63.01	325.61	5.90	-57.11
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774476	0	35	-1.0	-53.71	290.54	0.95	-52.76
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C#N	REAL300010774477	0	36	-1.0	-53.95	303.30	5.02	-48.93
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774478	0	38	-1.0	-53.58	322.65	4.96	-48.62
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774479	0	36	-1.0	-43.85	305.83	3.99	-39.86
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)CCCC1	REAL300010774480	0	33	-1.0	-54.02	291.20	2.98	-51.04
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCCC1	REAL300010774481	0	45	-1.0	-63.99	347.87	7.30	-56.69
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=NO1	REAL300010774482	0	43	-1.0	-64.16	342.49	4.79	-59.37
O=C([O-])C1(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)CCCC1	REAL300010774483	0	49	-1.0	-60.33	366.96	10.50	-49.83
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C12	REAL300010774484	0	46	-1.0	-45.96	354.30	5.86	-40.10
COC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774485	0	39	-1.0	-63.80	305.05	4.20	-59.60
COC(=O)C1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774486	0	37	-1.0	-59.65	313.33	3.14	-56.51
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774487	0	33	-1.0	-56.04	303.84	5.16	-50.88
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCCC1	REAL300010774488	0	34	-1.0	-37.09	315.01	5.34	-31.75
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCCC1	REAL300010774488	1	33	-2.0	-120.74	317.12	6.19	-114.55
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774489	0	39	-1.0	-60.70	321.31	4.75	-55.95
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774490	0	38	-1.0	-51.59	337.78	5.24	-46.35
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774491	0	39	-1.0	-57.21	313.27	4.11	-53.10
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300010774492	0	40	-1.0	-56.01	333.95	4.00	-52.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCCC1	REAL300010774493	0	36	-1.0	-57.72	308.82	3.92	-53.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CCCC1	REAL300010774494	0	35	-1.0	-55.23	307.66	5.20	-50.03
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774495	0	43	-1.0	-60.09	354.69	1.24	-58.85
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2S1	REAL300010774496	0	44	-1.0	-59.36	378.01	7.32	-52.04
N#CCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774497	0	36	-1.0	-66.57	305.59	5.44	-61.13
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)CCCC1	REAL300010774498	0	38	-1.0	-54.11	314.01	3.09	-51.02
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774499	0	37	-1.0	-59.82	320.15	-0.12	-59.94
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774500	0	38	-1.0	-55.86	324.34	5.03	-50.83
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774501	0	40	-1.0	-69.45	338.51	6.06	-63.39
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Br)=C1	REAL300010774502	0	36	-1.0	-56.87	309.47	4.37	-52.50
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1)OCO2	REAL300010774503	0	38	-1.0	-46.17	301.32	3.12	-43.05
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774504	0	38	-1.0	-54.47	314.22	5.41	-49.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300010774505	0	32	-1.0	-53.64	293.75	5.41	-48.23
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774506	0	38	-1.0	-54.00	300.64	6.25	-47.75
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)CCCC1	REAL300010774507	0	32	-1.0	-55.44	295.29	5.46	-49.98
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1)OCC(=O)N2	REAL300010774508	0	42	-1.0	-62.71	341.80	1.19	-61.52
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCC1	REAL300010774509	0	33	-2.0	-122.71	313.21	5.80	-116.91
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCCC1	REAL300010774509	1	34	-1.0	-52.41	314.16	5.58	-46.83
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774510	0	30	-1.0	-55.75	275.11	3.82	-51.93
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCC1	REAL300010774511	0	34	-1.0	-48.56	308.94	5.33	-43.23
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCCC1	REAL300010774511	1	33	-2.0	-116.30	309.49	5.68	-110.62
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCC1	REAL300010774512	0	32	-1.0	-51.72	292.05	5.50	-46.22
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCCC1	REAL300010774512	1	31	-2.0	-120.44	292.62	5.93	-114.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CCCC1	REAL300010774513	0	33	-1.0	-58.49	289.20	2.62	-55.87
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774514	0	35	-1.0	-56.98	287.95	1.75	-55.23
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2F)CCCC1	REAL300010774515	0	32	-1.0	-54.76	290.74	4.96	-49.80
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300010774516	0	42	-1.0	-55.28	345.40	4.87	-50.41
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Br)CCCC1	REAL300010774517	0	32	-1.0	-53.37	296.74	5.57	-47.80
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CCCC1	REAL300010774518	0	35	-1.0	-60.74	303.72	5.50	-55.24
CC(=O)NC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774519	0	35	-1.0	-60.92	308.03	1.75	-59.17
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774519	1	34	-2.0	-100.66	304.71	0.62	-100.04
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCCC1	REAL300010774520	0	35	-1.0	-60.67	308.29	5.61	-55.06
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774521	0	36	-1.0	-65.51	314.61	1.56	-63.95
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774522	0	41	-1.0	-64.50	329.74	6.73	-57.77
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774523	0	40	-1.0	-45.24	318.52	2.17	-43.07
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774524	0	36	-1.0	-65.20	319.17	1.67	-63.53
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774525	0	39	-1.0	-62.56	314.71	4.50	-58.06
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2O1	REAL300010774526	0	43	-1.0	-64.70	337.98	5.37	-59.33
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C(F)(F)F	REAL300010774527	0	36	-1.0	-51.24	320.01	5.45	-45.79
COCCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774528	0	41	-1.0	-64.47	324.25	3.14	-61.33
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774529	0	41	-1.0	-59.31	327.26	6.25	-53.06
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774530	0	39	-1.0	-57.96	333.19	4.84	-53.12
N#CC1CN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CCO1	REAL300010774531	0	36	-1.0	-58.08	284.88	1.29	-56.79
CCN(CC(C)C#N)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774532	0	40	-1.0	-41.45	307.90	4.21	-37.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCO3)CCCC1	REAL300010774533	0	35	-1.0	-59.42	290.70	2.93	-56.49
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774534	0	33	-1.0	-39.44	297.10	4.39	-35.05
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774535	0	33	-1.0	-38.24	299.59	4.57	-33.67
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774536	0	38	-1.0	-41.66	317.11	5.63	-36.03
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)CCCC1	REAL300010774537	0	38	-1.0	-47.97	320.73	5.25	-42.72
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774538	0	46	-1.0	-60.36	369.08	1.38	-58.98
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774539	0	42	-1.0	-72.13	351.78	1.48	-70.65
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCC1	REAL300010774540	0	31	-2.0	-128.61	285.69	5.38	-123.23
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCCC1	REAL300010774540	1	32	-1.0	-52.30	282.55	4.90	-47.40
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2CC1	REAL300010774541	0	49	-1.0	-68.17	376.55	6.24	-61.93
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(F)(F)F	REAL300010774542	0	41	-1.0	-52.79	348.29	5.74	-47.05
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300010774543	0	42	-1.0	-56.77	352.10	5.92	-50.85
CCCC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774544	0	41	-1.0	-42.33	337.88	6.52	-35.81
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774545	0	41	-1.0	-42.00	333.71	6.23	-35.77
CN(C(=O)NC1(C(=O)[O-])CCCC1)C1CCS(=O)(=O)C1	REAL300010774546	0	39	-1.0	-66.15	308.33	3.09	-63.06
CNC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774547	0	42	-1.0	-67.56	341.42	2.95	-64.61
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2F)CCCC1	REAL300010774548	0	32	-1.0	-56.44	285.06	4.79	-51.65
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCCC1	REAL300010774548	1	31	-2.0	-131.75	285.55	5.15	-126.60
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCCC1	REAL300010774549	0	45	-1.0	-63.59	361.38	5.63	-57.96
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(F)C=C1Cl	REAL300010774550	0	41	-1.0	-53.24	359.22	6.34	-46.90
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(F)C=C1Cl	REAL300010774550	1	40	-2.0	-125.10	357.97	6.62	-118.48
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCCC1	REAL300010774551	0	34	-1.0	-51.62	309.59	5.96	-45.66
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCCC1	REAL300010774551	1	33	-2.0	-119.46	313.76	6.02	-113.44
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCCC1	REAL300010774552	0	41	-1.0	-47.30	325.31	0.88	-46.42
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774553	0	39	-2.0	-117.04	327.96	5.48	-111.56
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300010774554	0	43	-1.0	-61.22	353.76	4.09	-57.13
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(F)C=C1C	REAL300010774555	0	44	-1.0	-56.65	361.06	6.37	-50.28
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774556	0	46	-1.0	-72.96	374.90	2.47	-70.49
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774557	0	43	-1.0	-63.98	346.17	3.68	-60.30
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774558	0	45	-1.0	-50.33	365.64	5.08	-45.25
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C	REAL300010774559	0	44	-1.0	-54.57	355.30	6.41	-48.16
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CCCC1	REAL300010774560	0	35	-1.0	-56.87	300.92	5.72	-51.15
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774561	0	44	-1.0	-64.67	362.17	6.62	-58.05
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774562	0	38	-1.0	-58.99	332.77	6.57	-52.42
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774562	1	37	-2.0	-128.85	336.66	6.53	-122.32
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CCCC1	REAL300010774563	0	35	-1.0	-55.66	299.32	6.09	-49.57
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774564	0	48	-1.0	-60.95	361.73	5.35	-55.60
CC1=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)SC=N1	REAL300010774565	0	37	-1.0	-59.17	309.83	3.31	-55.86
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCCC1	REAL300010774566	0	38	-1.0	-58.63	322.59	6.08	-52.55
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774567	0	41	-1.0	-63.63	344.96	5.85	-57.78
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCCC1	REAL300010774568	0	42	-1.0	-63.17	337.56	7.68	-55.49
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774569	0	46	-1.0	-58.59	382.49	1.93	-56.66
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CCCC1	REAL300010774570	0	35	-1.0	-57.73	303.65	5.57	-52.16
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1C	REAL300010774571	0	44	-1.0	-64.36	364.46	5.53	-58.83
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300010774572	0	38	-1.0	-58.06	333.86	2.20	-55.86
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CCCC1	REAL300010774573	0	36	-1.0	-61.26	309.38	4.99	-56.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCCC1	REAL300010774574	0	35	-1.0	-55.51	297.51	5.07	-50.44
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774575	0	34	-1.0	-52.91	291.65	3.69	-49.22
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(Br)N1C	REAL300010774576	0	35	-1.0	-67.00	305.77	3.77	-63.23
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C(Br)N1C	REAL300010774576	1	34	-2.0	-139.87	305.04	3.97	-135.90
O=C([O-])C1(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774577	0	33	-1.0	-55.39	286.75	3.14	-52.25
COC(=O)C(C)(C)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774578	0	40	-1.0	-56.18	310.33	3.82	-52.36
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774579	0	45	-1.0	-57.93	356.65	5.15	-52.78
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCCC1	REAL300010774580	0	35	-2.0	-103.25	307.78	3.69	-99.56
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)CCCC1	REAL300010774580	1	36	-1.0	-39.50	309.10	2.64	-36.86
CCOC(=O)CC1(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774581	0	41	-1.0	-70.39	325.68	5.71	-64.68
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774582	0	33	-1.0	-51.53	308.76	5.17	-46.36
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774582	1	32	-2.0	-122.48	308.60	5.57	-116.91
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774583	0	43	-1.0	-60.44	361.29	3.50	-56.94
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(=O)OC(C)C	REAL300010774584	0	47	-1.0	-60.10	375.11	7.12	-52.98
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774585	0	44	-1.0	-61.16	367.01	3.35	-57.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)CCCC1	REAL300010774586	0	37	-1.0	-61.18	309.81	1.46	-59.72
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCCC1	REAL300010774587	0	44	-1.0	-61.01	333.33	5.73	-55.28
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CCCC1	REAL300010774588	0	31	-1.0	-49.95	294.68	3.48	-46.47
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774589	0	39	-1.0	-58.15	335.15	4.49	-53.66
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C(F)(F)F	REAL300010774590	0	38	-1.0	-53.44	317.77	5.66	-47.78
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCCC1	REAL300010774591	0	43	-1.0	-56.50	368.18	7.66	-48.84
COC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774592	0	41	-1.0	-63.22	340.31	5.71	-57.51
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCCC1	REAL300010774593	0	34	-1.0	-61.93	295.58	3.70	-58.23
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)C3)CCCC1	REAL300010774594	0	42	-1.0	-42.43	307.50	5.21	-37.22
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CCCC1	REAL300010774595	0	38	-1.0	-60.81	321.97	6.00	-54.81
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCC1	REAL300010774596	0	41	-1.0	-63.48	326.13	4.69	-58.79
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCCC1	REAL300010774597	0	32	-1.0	-54.69	294.24	4.48	-50.21
N#CC1=CC(F)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774598	0	36	-1.0	-66.81	311.71	5.30	-61.51
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774599	0	45	-1.0	-65.64	373.21	4.64	-61.00
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774600	0	48	-1.0	-65.34	395.07	5.57	-59.77
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300010774601	0	47	-1.0	-42.82	344.37	5.81	-37.01
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN=C1C	REAL300010774602	0	40	-1.0	-53.14	328.70	3.52	-49.62
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CCCC1	REAL300010774603	0	36	-1.0	-40.88	311.38	3.56	-37.32
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774604	0	41	-1.0	-53.76	356.71	6.23	-47.53
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774605	0	33	-1.0	-56.96	290.06	4.70	-52.26
O=C([O-])C1(NS(=O)(=O)CCC2CCOCC2)CCCC1	REAL300010774606	0	42	-1.0	-61.95	317.77	3.35	-58.60
O=C([O-])C1(NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CCCC1	REAL300010774607	0	48	-1.0	-67.45	393.70	5.94	-61.51
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774608	0	35	-1.0	-59.84	291.32	4.94	-54.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CCCC1	REAL300010774609	0	34	-1.0	-49.93	312.81	4.11	-45.82
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)CC3)CCCC1	REAL300010774610	0	45	-1.0	-42.38	320.55	5.74	-36.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCCC1	REAL300010774611	0	41	-1.0	-56.48	328.16	5.87	-50.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CCCC1	REAL300010774612	0	33	-1.0	-51.20	297.47	3.58	-47.62
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)CCCC1	REAL300010774613	0	38	-1.0	-61.67	318.52	5.71	-55.96
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300010774614	0	35	-1.0	-54.16	299.69	3.14	-51.02
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300010774614	1	34	-2.0	-126.09	301.95	3.44	-122.65
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCC1	REAL300010774615	0	34	-1.0	-51.59	300.97	6.23	-45.36
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCCC1	REAL300010774615	1	33	-2.0	-122.11	302.03	6.49	-115.62
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(F)C=C1C	REAL300010774616	0	41	-1.0	-56.43	339.20	5.46	-50.97
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2N=C1Cl	REAL300010774617	0	40	-1.0	-58.06	339.77	5.65	-52.41
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2(F)F)CCCC1	REAL300010774618	0	41	-1.0	-57.19	315.15	5.48	-51.71
O=C([O-])C1(NS(=O)(=O)CCOCC2=CC=CC=C2)CCCC1	REAL300010774619	0	42	-1.0	-57.99	339.88	4.83	-53.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(C)C)=C1	REAL300010774620	0	59	-1.0	-60.61	415.99	9.96	-50.65
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CCCC1	REAL300010774621	0	37	-1.0	-45.84	316.45	4.65	-41.19
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774622	0	44	-1.0	-63.35	361.62	6.27	-57.08
COC(=O)C1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774623	0	37	-1.0	-61.34	302.85	4.02	-57.32
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774624	0	39	-1.0	-55.52	331.91	4.59	-50.93
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)CCCC1	REAL300010774625	0	39	-1.0	-58.27	312.57	6.26	-52.01
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)CCC2=C1	REAL300010774626	0	44	-1.0	-57.78	344.89	5.95	-51.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)CCCC1	REAL300010774627	0	40	-1.0	-57.97	323.00	5.25	-52.72
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300010774628	0	35	-1.0	-57.16	300.28	4.98	-52.18
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300010774628	1	34	-2.0	-127.15	299.50	5.06	-122.09
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCC1	REAL300010774629	0	35	-1.0	-61.39	316.83	6.16	-55.23
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCCC1	REAL300010774629	1	34	-2.0	-137.25	317.24	6.54	-130.71
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)CCCC1	REAL300010774630	0	35	-1.0	-55.29	314.01	5.66	-49.63
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774631	0	41	-1.0	-73.87	347.69	2.51	-71.36
O=C([O-])C1(NS(=O)(=O)C2=C3OC=CC3=CC=C2)CCCC1	REAL300010774632	0	35	-1.0	-61.46	292.50	4.62	-56.84
O=C([O-])C1(NS(=O)(=O)CCC2CCCCC2)CCCC1	REAL300010774633	0	44	-1.0	-60.04	326.63	5.74	-54.30
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2C=C1	REAL300010774634	0	41	-1.0	-58.82	329.50	7.24	-51.58
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CS2)CCCC1	REAL300010774635	0	29	-1.0	-57.10	267.87	3.81	-53.29
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CS2)CCCC1	REAL300010774635	1	28	-2.0	-130.00	267.36	4.23	-125.77
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774636	0	41	-1.0	-60.76	348.40	6.21	-54.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)CCCC1	REAL300010774637	0	47	-1.0	-61.18	384.95	4.69	-56.49
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774638	0	45	-1.0	-59.09	358.60	4.65	-54.44
O=C([O-])C1(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)CCCC1	REAL300010774639	0	35	-1.0	-62.76	305.72	5.48	-57.28
O=C([O-])C1(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CCCC1	REAL300010774640	0	38	-1.0	-58.71	313.34	6.52	-52.19
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(CC)=C1	REAL300010774641	0	50	-1.0	-56.61	365.34	8.94	-47.67
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCOC3=C2)CCCC1	REAL300010774642	0	37	-1.0	-62.96	299.16	4.11	-58.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCCC1	REAL300010774643	0	39	-1.0	-67.39	319.35	4.02	-63.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CCCC1	REAL300010774644	0	34	-1.0	-61.92	311.50	4.07	-57.85
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774645	0	40	-1.0	-45.58	333.30	3.74	-41.84
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCCC1	REAL300010774646	0	40	-1.0	-49.51	334.51	2.70	-46.81
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774647	0	37	-1.0	-67.20	317.54	-0.77	-67.97
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCCC1)S(C)(=O)=O	REAL300010774648	0	43	-1.0	-67.52	333.85	1.18	-66.34
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300010774649	0	36	-1.0	-53.32	308.87	3.99	-49.33
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CCCC1	REAL300010774650	0	35	-1.0	-41.14	299.45	1.39	-39.75
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774651	0	45	-1.0	-64.01	357.29	5.56	-58.45
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCC3)CCCC1	REAL300010774652	0	37	-1.0	-62.47	300.77	4.13	-58.34
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC(C)=C2S1	REAL300010774653	0	41	-1.0	-59.27	330.11	6.92	-52.35
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCCC1	REAL300010774654	0	36	-1.0	-43.81	305.31	4.14	-39.67
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCCC1	REAL300010774655	0	36	-1.0	-43.07	315.64	4.59	-38.48
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774656	0	41	-1.0	-59.93	345.76	5.76	-54.17
COC(CC1=CC=CC=C1)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774657	0	45	-1.0	-62.75	350.81	5.28	-57.47
COC(CC(C)C)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774658	0	44	-1.0	-61.05	334.65	3.95	-57.10
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774659	0	36	-1.0	-44.83	295.50	3.54	-41.29
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)CCCC1	REAL300010774660	0	35	-1.0	-57.56	321.66	6.06	-51.50
O=C([O-])C1(NS(=O)(=O)CCCC2CCOC2)CCCC1	REAL300010774661	0	42	-1.0	-62.67	322.64	3.38	-59.29
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)CCCC1	REAL300010774662	0	35	-1.0	-54.93	320.45	6.05	-48.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CCCC1	REAL300010774663	0	35	-1.0	-48.75	302.92	3.23	-45.52
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300010774664	0	40	-1.0	-52.21	324.53	6.11	-46.10
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774665	0	48	-1.0	-45.78	364.69	6.34	-39.44
N#CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774666	0	39	-1.0	-65.34	326.59	5.95	-59.39
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774667	0	35	-1.0	-51.63	306.60	1.40	-50.23
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300010774668	0	41	-1.0	-55.35	346.20	5.95	-49.40
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774669	0	41	-1.0	-59.43	356.84	5.79	-53.64
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCCC1	REAL300010774670	0	35	-1.0	-60.08	301.68	5.20	-54.88
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300010774671	0	35	-1.0	-54.82	298.82	5.37	-49.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCCC1	REAL300010774672	0	38	-1.0	-61.61	311.46	5.26	-56.35
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=N1	REAL300010774673	0	41	-1.0	-58.79	349.58	5.74	-53.05
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010774674	0	38	-1.0	-53.97	339.38	5.51	-48.46
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774674	1	37	-2.0	-130.59	338.47	5.76	-124.83
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774675	0	41	-1.0	-63.48	345.15	5.65	-57.83
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774676	0	39	-1.0	-57.91	314.70	4.49	-53.42
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774677	0	38	-1.0	-41.78	316.65	5.55	-36.23
O=C([O-])C1(NS(=O)(=O)CCCC2CCOCC2)CCCC1	REAL300010774678	0	45	-1.0	-61.09	339.28	4.13	-56.96
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)CCCC1	REAL300010774679	0	47	-1.0	-55.79	377.96	1.98	-53.81
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCCC1	REAL300010774680	0	40	-1.0	-46.33	314.19	5.10	-41.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCCC1	REAL300010774681	0	39	-1.0	-64.54	328.46	2.13	-62.41
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)CCCC1	REAL300010774682	0	32	-1.0	-55.70	285.95	4.84	-50.86
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)SC(Br)=C1	REAL300010774683	0	32	-1.0	-55.91	292.10	4.78	-51.13
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCCC1	REAL300010774684	0	41	-1.0	-58.40	324.98	4.58	-53.82
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774685	0	42	-1.0	-45.54	336.46	2.74	-42.80
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(F)C=C2)CCCC1	REAL300010774686	0	38	-1.0	-59.22	312.27	5.64	-53.58
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2F)CCCC1	REAL300010774687	0	38	-1.0	-62.22	311.43	5.60	-56.62
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Cl)CCCC1	REAL300010774688	0	38	-1.0	-61.11	318.47	5.93	-55.18
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774689	0	36	-1.0	-40.65	317.44	4.30	-36.35
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1)C(=O)NCCC2	REAL300010774690	0	47	-1.0	-73.51	367.14	3.02	-70.49
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)S2)C1	REAL300010774691	0	43	-1.0	-63.20	351.71	4.72	-58.48
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)SC2=CC=C(C#N)C=C12	REAL300010774692	0	39	-1.0	-60.52	339.80	6.69	-53.83
COC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774693	0	41	-1.0	-57.28	302.11	2.16	-55.12
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CCOC1	REAL300010774694	0	43	-1.0	-61.37	325.91	1.92	-59.45
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Br)CCCC1	REAL300010774695	0	35	-1.0	-54.90	310.12	5.61	-49.29
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCCC1	REAL300010774696	0	35	-1.0	-56.69	306.90	5.50	-51.19
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CCCC1	REAL300010774697	0	32	-1.0	-52.83	301.38	5.40	-47.43
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774698	0	39	-1.0	-74.36	319.27	1.57	-72.79
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774699	0	57	-1.0	-57.36	443.69	9.20	-48.16
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774700	0	47	-1.0	-59.03	373.21	6.62	-52.41
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(F)=C2)CCCC1	REAL300010774701	0	32	-1.0	-55.36	290.36	4.94	-50.42
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774702	0	38	-1.0	-53.58	322.65	4.96	-48.62
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C1=CC=CC=C1	REAL300010774703	0	46	-1.0	-61.75	371.53	7.33	-54.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCCC1	REAL300010774704	0	46	-1.0	-60.86	380.82	7.62	-53.24
O=C([O-])C1(NS(=O)(=O)C2=NC=CC=C2Br)CCCC1	REAL300010774705	0	31	-1.0	-46.71	272.77	3.79	-42.92
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCCC1	REAL300010774705	1	30	-2.0	-135.45	275.85	3.34	-132.11
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2)=N1	REAL300010774706	0	44	-1.0	-49.15	353.39	3.53	-45.62
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1=CC=C(F)C=C1	REAL300010774707	0	42	-1.0	-59.51	343.36	5.00	-54.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)CCCC1	REAL300010774708	0	44	-1.0	-58.04	346.45	5.75	-52.29
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N(C)N=C1	REAL300010774709	0	38	-1.0	-60.54	307.82	2.94	-57.60
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300010774710	0	40	-1.0	-56.58	344.55	3.18	-53.40
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C12	REAL300010774711	0	44	-1.0	-47.01	351.39	6.49	-40.52
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774712	0	43	-1.0	-63.60	348.07	3.49	-60.11
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CC1	REAL300010774713	0	42	-1.0	-57.70	324.11	4.96	-52.74
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010774714	0	38	-1.0	-54.27	329.05	5.08	-49.19
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774714	1	37	-2.0	-130.26	328.15	5.32	-124.94
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C(Cl)C=C21	REAL300010774715	0	43	-1.0	-62.68	356.40	5.92	-56.76
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774716	0	45	-1.0	-62.78	353.65	5.94	-56.84
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300010774717	0	45	-1.0	-61.67	336.91	4.32	-57.35
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300010774718	0	48	-1.0	-61.07	354.36	4.81	-56.26
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCCC1	REAL300010774719	0	35	-1.0	-54.87	301.40	3.81	-51.06
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300010774720	0	51	-1.0	-56.09	394.79	7.18	-48.91
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CCCC1	REAL300010774721	0	35	-1.0	-68.96	312.52	4.04	-64.92
COC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774722	0	36	-1.0	-41.63	296.78	3.73	-37.90
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1[N+](=O)[O-]	REAL300010774723	0	40	-1.0	-52.58	324.30	6.44	-46.14
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774724	0	39	-1.0	-53.84	311.09	3.96	-49.88
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCCC1	REAL300010774725	0	45	-1.0	-54.93	365.93	6.57	-48.36
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)O1	REAL300010774726	0	38	-1.0	-59.27	322.28	3.74	-55.53
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)O1	REAL300010774726	1	37	-2.0	-124.04	320.76	3.97	-120.07
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1CC1CC1	REAL300010774727	0	45	-1.0	-59.37	356.82	5.57	-53.80
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2C1	REAL300010774728	0	43	-1.0	-60.77	347.12	4.64	-56.13
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774729	0	35	-1.0	-45.08	299.65	3.17	-41.91
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCCC1	REAL300010774730	0	43	-1.0	-55.98	363.08	8.39	-47.59
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774731	0	35	-1.0	-40.71	302.46	5.23	-35.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCCC1	REAL300010774732	0	42	-1.0	-63.54	329.85	7.73	-55.81
CC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774733	0	38	-1.0	-58.32	325.14	6.21	-52.11
COC1=CC=CC(Br)=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774734	0	39	-1.0	-62.81	326.81	4.62	-58.19
O=C([O-])C1(NS(=O)(=O)CCC2=C(F)C=CC=C2F)CCCC1	REAL300010774735	0	38	-1.0	-62.15	316.48	5.62	-56.53
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1F	REAL300010774736	0	35	-1.0	-53.97	294.90	4.98	-48.99
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)N=C2F)CCCC1	REAL300010774737	0	31	-1.0	-51.39	286.23	2.96	-48.43
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCCC1	REAL300010774737	1	30	-2.0	-128.36	284.55	3.28	-125.08
CC(C)OC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774738	0	41	-1.0	-52.84	328.75	3.41	-49.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OCC(F)F)CCCC1	REAL300010774739	0	38	-1.0	-64.67	324.86	2.64	-62.03
O=C([O-])C1(NS(=O)(=O)C2=CC(NC(=O)C(F)(F)F)=CC=C2)CCCC1	REAL300010774740	0	39	-1.0	-55.42	338.28	3.60	-51.82
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)OC=C1	REAL300010774741	0	34	-2.0	-138.81	294.75	4.02	-134.79
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)OC=C1	REAL300010774741	1	35	-1.0	-68.80	301.47	3.38	-65.42
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C)C=C1OC	REAL300010774742	0	45	-1.0	-60.14	346.99	5.68	-54.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCCC1	REAL300010774743	0	38	-1.0	-53.12	334.55	6.01	-47.11
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774744	0	40	-1.0	-64.35	335.92	4.92	-59.43
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=N1	REAL300010774745	0	33	-2.0	-148.18	291.68	3.24	-144.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300010774745	1	34	-1.0	-51.18	290.32	3.17	-48.01
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774746	0	35	-1.0	-56.19	311.95	5.98	-50.21
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2C=C1	REAL300010774747	0	41	-1.0	-60.28	309.74	7.04	-53.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)CCCC1	REAL300010774748	0	39	-1.0	-54.48	333.31	4.19	-50.29
N#CCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774749	0	36	-1.0	-42.13	295.62	4.87	-37.26
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2NC1=O	REAL300010774750	0	41	-1.0	-58.06	334.87	4.01	-54.05
CN1N=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774751	0	37	-1.0	-54.28	307.16	2.60	-51.68
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C2=CC=CC=C2)S1	REAL300010774752	0	41	-1.0	-51.49	344.22	6.28	-45.21
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C(F)(F)F)CCCC1	REAL300010774753	0	32	-1.0	-38.41	277.08	1.03	-37.38
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCCC1	REAL300010774753	1	31	-2.0	-126.16	277.67	2.05	-124.11
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(F)C=C1[N+](=O)[O-]	REAL300010774754	0	37	-1.0	-49.11	312.14	5.42	-43.69
O=C([O-])C1(NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)CCCC1	REAL300010774755	0	38	-1.0	-61.33	317.32	5.45	-55.88
O=C([O-])C1(NS(=O)(=O)CCC[NH+]2CCCC2)CCCC1	REAL300010774756	0	44	0.0	-85.30	329.13	4.98	-80.32
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774757	0	49	0.0	-83.04	361.24	3.15	-79.89
CN1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774757	1	48	-1.0	-61.03	358.33	0.78	-60.25
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Br	REAL300010774758	0	32	-1.0	-56.29	288.09	2.38	-53.91
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1I	REAL300010774759	0	32	-1.0	-56.01	293.61	2.82	-53.19
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774760	0	36	-1.0	-65.08	298.24	5.44	-59.64
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774761	0	41	-1.0	-53.74	332.53	2.82	-50.92
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=N1	REAL300010774762	0	44	-1.0	-56.64	352.17	4.99	-51.65
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(OC)C=C1F	REAL300010774763	0	42	-1.0	-58.89	350.25	4.64	-54.25
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774764	0	42	-1.0	-66.81	334.91	5.00	-61.81
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774765	0	36	-1.0	-54.65	297.43	4.22	-50.43
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300010774766	0	48	-1.0	-56.42	373.30	6.38	-50.04
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774767	0	44	-1.0	-59.98	341.56	6.39	-53.59
N#CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774768	0	33	-1.0	-53.51	290.58	4.59	-48.92
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2Cl)CCCC1	REAL300010774769	0	35	-1.0	-57.84	306.76	5.52	-52.32
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCCC1	REAL300010774770	0	51	-1.0	-60.83	386.20	8.59	-52.24
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C23)CCCC1	REAL300010774771	0	36	-1.0	-58.06	296.25	4.14	-53.92
O=C([O-])C1(NS(=O)(=O)C2=C(Br)NC=N2)CCCC1	REAL300010774772	0	29	-1.0	-54.54	255.84	1.81	-52.73
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCCC1	REAL300010774772	1	28	-2.0	-134.23	263.78	2.51	-131.72
O=C([O-])C1(NS(=O)(=O)CCC2=NOC3=CC=CC=C32)CCCC1	REAL300010774773	0	40	-1.0	-62.65	329.21	4.92	-57.73
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCC1	REAL300010774774	0	31	-1.0	-38.44	286.05	2.84	-35.60
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCCC1	REAL300010774774	1	30	-2.0	-121.26	288.36	3.78	-117.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)N=C2F)CCCC1	REAL300010774775	0	31	-1.0	-51.45	281.64	2.89	-48.56
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCCC1	REAL300010774775	1	30	-2.0	-128.01	279.95	3.20	-124.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)N=C2F)CCCC1	REAL300010774776	0	31	-1.0	-51.19	271.18	2.40	-48.79
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)N=C2F)CCCC1	REAL300010774776	1	30	-2.0	-126.71	269.50	2.71	-124.00
COC1=NC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774777	0	35	-1.0	-41.89	308.07	1.85	-40.04
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)CCCC1	REAL300010774778	0	37	-1.0	-55.66	317.71	5.16	-50.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)CCCC1	REAL300010774779	0	34	-1.0	-50.21	303.06	4.02	-46.19
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)CCCC1	REAL300010774780	0	42	-1.0	-43.62	347.99	4.97	-38.65
O=C([O-])C1(NS(=O)(=O)N=S2(=O)CCCC2)CCCC1	REAL300010774781	0	36	-1.0	-80.91	298.03	1.78	-79.13
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1(Cl)Cl	REAL300010774782	0	35	-1.0	-56.19	303.72	4.82	-51.37
O=C([O-])C1(NS(=O)(=O)CC2=C(Br)SC=N2)CCCC1	REAL300010774783	0	31	-1.0	-60.04	289.45	2.33	-57.71
CCS(=O)(CC)=NS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774784	0	38	-1.0	-72.52	309.62	2.16	-70.36
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C([N+](=O)[O-])S1	REAL300010774785	0	34	-1.0	-55.83	296.26	5.45	-50.38
O=C([O-])C1(NS(=O)(=O)C2CC(=O)N(C3CC3)C2)CCCC1	REAL300010774786	0	40	-1.0	-44.10	310.05	2.93	-41.17
CCN1CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1=O	REAL300010774787	0	39	-1.0	-45.56	311.25	2.74	-42.82
CCOC(=O)C1(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CCC1	REAL300010774788	0	41	-1.0	-63.90	319.77	5.22	-58.68
CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300010774789	0	43	-1.0	-48.74	350.02	0.31	-48.43
O=C([O-])C1(NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)CCCC1	REAL300010774790	0	33	-1.0	-50.41	306.94	3.42	-46.99
COC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774791	0	41	-1.0	-63.50	339.76	5.34	-58.16
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCCC1	REAL300010774792	0	34	-2.0	-134.60	314.48	5.58	-129.02
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCCC1	REAL300010774792	1	35	-1.0	-58.54	316.45	5.45	-53.09
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C(F)(F)F	REAL300010774793	0	35	-1.0	-55.07	296.91	2.82	-52.25
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1C(F)(F)F	REAL300010774793	1	34	-2.0	-124.11	296.26	3.15	-120.96
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774794	0	42	-1.0	-54.10	324.27	4.25	-49.85
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2Br)CCCC1	REAL300010774795	0	29	-1.0	-37.40	268.59	3.30	-34.10
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(C)(C)C)=N1	REAL300010774796	0	44	-1.0	-63.25	329.92	4.42	-58.83
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCCC1	REAL300010774797	0	42	-1.0	-53.72	331.21	4.46	-49.26
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774798	0	35	-1.0	-54.99	293.83	2.85	-52.14
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Br)=N1	REAL300010774799	0	32	-1.0	-54.98	289.74	2.44	-52.54
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)CCCC1	REAL300010774800	0	34	-1.0	-45.24	295.57	3.99	-41.25
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774801	0	39	-1.0	-62.22	318.83	4.21	-58.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)CCCC1	REAL300010774802	0	46	-1.0	-56.81	366.22	5.47	-51.34
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010774803	0	32	-2.0	-104.83	275.45	2.75	-102.08
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2O)CCCC1	REAL300010774803	1	33	-1.0	-58.92	280.83	1.94	-56.98
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774804	0	42	-1.0	-58.04	340.55	6.92	-51.12
COC(=O)C1=CNN=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774805	0	35	-1.0	-53.39	294.15	1.83	-51.56
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774805	1	34	-2.0	-148.10	295.60	1.91	-146.19
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774806	0	35	-1.0	-55.98	311.90	5.97	-50.01
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774807	0	38	-1.0	-57.08	304.20	3.20	-53.88
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774808	0	37	-1.0	-56.23	308.35	4.74	-51.49
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774809	0	41	-1.0	-79.97	329.89	2.52	-77.45
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300010774810	0	54	-1.0	-56.31	416.31	8.10	-48.21
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C#N)=C1	REAL300010774811	0	36	-1.0	-60.54	303.42	5.29	-55.25
CC1=CC=CC(C#N)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774812	0	36	-1.0	-71.81	291.82	5.37	-66.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)CCCC1	REAL300010774813	0	35	-1.0	-59.39	302.55	5.23	-54.16
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)CCCC1	REAL300010774814	0	43	-1.0	-62.73	351.01	4.91	-57.82
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCCC1	REAL300010774815	0	36	-1.0	-56.52	310.62	5.86	-50.66
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)(C)C	REAL300010774816	0	54	-1.0	-56.60	407.36	7.99	-48.61
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1CC	REAL300010774817	0	48	-1.0	-58.15	377.88	6.66	-51.49
N#CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774818	0	39	-1.0	-63.09	327.09	6.09	-57.00
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774819	0	38	-1.0	-54.36	310.68	6.67	-47.69
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774820	0	46	-1.0	-60.72	363.32	3.39	-57.33
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)CCCC1	REAL300010774821	0	35	-1.0	-43.74	316.97	5.46	-38.28
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2Br)CCCC1	REAL300010774822	0	35	-1.0	-44.33	307.85	5.06	-39.27
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)CCCC1	REAL300010774823	0	42	-1.0	-66.37	342.71	5.98	-60.39
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774824	0	38	-1.0	-57.59	323.87	6.20	-51.39
CC1=CN=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774825	0	34	-1.0	-42.32	290.76	3.00	-39.32
COC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010774826	0	36	-1.0	-53.76	305.75	4.21	-49.55
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1F	REAL300010774826	1	35	-2.0	-140.31	315.16	4.43	-135.88
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774827	0	42	-1.0	-59.94	334.77	6.22	-53.72
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CC1	REAL300010774828	0	44	-1.0	-60.21	324.86	5.50	-54.71
CCOC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N(C)N=C1	REAL300010774829	0	41	-1.0	-61.09	329.70	3.86	-57.23
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCCC1	REAL300010774830	0	36	-1.0	-58.14	308.14	5.77	-52.37
O=C([O-])C1(NS(=O)(=O)CCCC2=CC=CC=C2)CCCC1	REAL300010774831	0	41	-1.0	-62.04	327.35	6.35	-55.69
O=C([O-])C1(NS(=O)(=O)C2=C3OCCCN3N=C2)CCCC1	REAL300010774832	0	37	-1.0	-62.25	301.68	1.16	-61.09
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C(C(N)=O)O1	REAL300010774833	0	36	-1.0	-46.29	298.60	-0.71	-47.00
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774834	0	41	-1.0	-43.98	313.75	6.13	-37.85
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(=O)OC	REAL300010774835	0	44	-1.0	-54.89	368.13	5.91	-48.98
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774836	0	45	-1.0	-46.75	361.79	4.39	-42.36
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2CCCC3)CCCC1	REAL300010774837	0	41	-1.0	-66.42	325.39	4.99	-61.43
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)F)CCCC1	REAL300010774838	0	32	-1.0	-40.77	273.44	3.87	-36.90
COC(=O)C1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774839	0	37	-1.0	-51.23	315.35	2.84	-48.39
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(F)=C2)CCCC1	REAL300010774840	0	38	-1.0	-59.09	312.27	5.64	-53.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774841	0	48	-1.0	-52.60	378.28	6.87	-45.73
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCCC1	REAL300010774842	0	37	-1.0	-44.67	296.12	4.20	-40.47
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774843	0	52	-1.0	-69.58	389.29	6.72	-62.86
COC(=O)C1=CN(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774844	0	39	-1.0	-52.77	320.43	4.81	-47.96
N#CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=CS1	REAL300010774845	0	30	-1.0	-38.64	270.98	3.08	-35.56
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774846	0	46	-1.0	-57.73	357.80	4.41	-53.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)CCCC1	REAL300010774847	0	47	-1.0	-84.59	374.02	6.79	-77.80
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774848	0	46	-1.0	-83.76	364.16	6.08	-77.68
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774849	0	35	-1.0	-59.61	289.98	1.42	-58.19
CCC1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774850	0	43	-1.0	-55.64	320.43	5.45	-50.19
O=C([O-])C1CCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300010774851	0	39	-2.0	-108.39	308.79	4.68	-103.71
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)CCCC1	REAL300010774852	0	39	-1.0	-53.70	313.83	3.79	-49.91
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCC2)CCCC1	REAL300010774853	0	39	-1.0	-54.00	309.44	4.21	-49.79
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCCC1	REAL300010774854	0	42	-1.0	-42.89	312.99	4.34	-38.55
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010774855	0	44	-1.0	-45.60	350.94	6.51	-39.09
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774856	0	45	-1.0	-53.81	367.00	5.12	-48.69
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774857	0	42	-1.0	-62.11	336.26	5.12	-56.99
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=NN2C1	REAL300010774858	0	43	-1.0	-45.69	323.92	1.78	-43.91
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCCC1	REAL300010774859	0	38	-1.0	-57.08	327.74	5.24	-51.84
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)CCCC1	REAL300010774860	0	38	-1.0	-60.65	314.09	1.51	-59.14
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CCCC1	REAL300010774861	0	28	-2.0	-129.48	263.29	3.34	-126.14
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=CO2)CCCC1	REAL300010774861	1	29	-1.0	-59.09	269.42	3.05	-56.04
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCCN23)CCCC1	REAL300010774862	0	39	-1.0	-60.06	305.70	4.12	-55.94
COC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774863	0	36	-1.0	-51.94	309.21	3.70	-48.24
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300010774864	0	36	-1.0	-56.54	303.98	3.64	-52.90
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300010774865	0	57	-1.0	-56.23	437.80	8.88	-47.35
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300010774866	0	48	-1.0	-60.73	360.80	6.02	-54.71
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774867	0	42	-1.0	-62.33	336.88	5.62	-56.71
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300010774868	0	55	-1.0	-58.06	428.78	6.61	-51.45
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774869	0	35	-1.0	-55.10	284.12	4.63	-50.47
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2O1	REAL300010774870	0	40	-1.0	-45.97	319.24	4.40	-41.57
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774871	0	40	-1.0	-55.25	329.66	4.00	-51.25
N#CC1(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300010774872	0	40	-1.0	-58.21	331.59	6.36	-51.85
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774873	0	36	-1.0	-59.14	301.08	4.66	-54.48
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774873	1	35	-2.0	-129.05	302.47	4.67	-124.38
CC1=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C)S1	REAL300010774874	0	35	-1.0	-58.58	302.62	4.83	-53.75
CC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(Br)=C1	REAL300010774875	0	35	-1.0	-53.72	302.09	5.87	-47.85
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=N1	REAL300010774876	0	37	-1.0	-62.29	314.30	3.11	-59.18
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774877	0	49	-1.0	-67.71	372.52	6.37	-61.34
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCCC1	REAL300010774878	0	38	-1.0	-57.80	315.08	4.59	-53.21
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300010774879	0	46	-1.0	-67.50	362.64	5.76	-61.74
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2Cl)CCCC1	REAL300010774880	0	29	-1.0	-37.81	264.94	3.18	-34.63
CN1N=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774881	0	32	-1.0	-46.23	280.20	2.68	-43.55
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)CCCC1	REAL300010774882	0	34	-1.0	-53.10	297.45	3.34	-49.76
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774883	0	37	-1.0	-65.33	302.23	3.59	-61.74
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCCC1	REAL300010774884	0	41	-1.0	-57.57	304.55	4.63	-52.94
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CCCC1	REAL300010774885	0	36	-1.0	-42.16	315.97	4.24	-37.92
O=C([O-])C1(NS(=O)(=O)C2=CC3=NON=C3C=C2)CCCC1	REAL300010774886	0	33	-1.0	-54.24	278.21	2.93	-51.31
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)CCCC1	REAL300010774887	0	35	-1.0	-69.59	307.96	3.93	-65.66
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCCC1	REAL300010774888	0	35	-1.0	-60.35	301.44	5.63	-54.72
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774889	0	39	-1.0	-50.49	310.87	4.29	-46.20
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1F	REAL300010774890	0	41	-1.0	-58.62	319.16	6.82	-51.80
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300010774891	0	40	-1.0	-59.61	321.44	4.12	-55.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)CCCC1	REAL300010774892	0	41	-1.0	-68.90	331.59	1.50	-67.40
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300010774893	0	33	-1.0	-49.62	303.86	5.03	-44.59
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C23)CCCC1	REAL300010774894	0	35	-1.0	-45.57	290.05	3.97	-41.60
COC1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300010774895	0	40	-1.0	-63.01	323.43	4.30	-58.71
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)=C1	REAL300010774896	0	34	-2.0	-119.65	321.96	3.97	-115.68
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774896	1	35	-1.0	-54.83	322.77	3.87	-50.96
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCCC2)=N1	REAL300010774897	0	45	-1.0	-57.64	353.06	5.11	-52.53
N#CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2S1	REAL300010774898	0	36	-1.0	-63.84	310.90	5.97	-57.87
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CC2)=N1	REAL300010774899	0	39	-1.0	-45.06	316.10	3.48	-41.58
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774900	0	34	-2.0	-115.95	298.55	4.93	-111.02
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCCC1	REAL300010774901	0	36	-1.0	-57.74	302.59	3.85	-53.89
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)CCCC1	REAL300010774902	0	36	-1.0	-56.85	317.47	4.73	-52.12
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCC1	REAL300010774903	0	35	-1.0	-61.66	292.38	3.42	-58.24
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CCCC1	REAL300010774903	1	34	-2.0	-141.38	292.02	3.64	-137.74
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C21	REAL300010774904	0	37	-1.0	-64.21	308.99	2.72	-61.49
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C23)CCCC1	REAL300010774905	0	35	-1.0	-45.57	290.05	3.97	-41.60
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300010774906	0	32	-2.0	-101.23	303.20	3.87	-97.36
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300010774907	0	38	-1.0	-44.16	318.98	5.80	-38.36
CC1(C)CCCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300010774908	0	43	-1.0	-58.74	308.09	4.37	-54.37
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCCC1	REAL300010774909	0	38	-1.0	-52.66	328.95	5.37	-47.29
O=C([O-])C1(NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)CCCC1	REAL300010774910	0	35	-1.0	-57.30	298.14	4.66	-52.64
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCC2)=N1	REAL300010774911	0	42	-1.0	-44.31	331.04	4.06	-40.25
O=C([O-])C1(NS(=O)(=O)NCCC2=CC=CC=C2)CCCC1	REAL300010774912	0	40	-1.0	-56.51	321.60	4.84	-51.67
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774913	0	50	-1.0	-62.10	372.13	8.06	-54.04
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCCC1	REAL300010774914	0	38	-1.0	-59.60	334.56	6.15	-53.45
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)SC=C2)CCCC1	REAL300010774915	0	29	-1.0	-38.61	266.85	3.33	-35.28
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCCC1	REAL300010774916	0	42	-1.0	-55.04	337.67	4.85	-50.19
O=C([O-])C1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CCCC1	REAL300010774917	0	36	-1.0	-45.86	300.23	5.09	-40.77
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCCC1	REAL300010774918	0	43	-1.0	-61.17	361.27	6.96	-54.21
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774919	0	45	-1.0	-62.65	353.15	2.68	-59.97
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C2C=C1	REAL300010774920	0	41	-1.0	-76.08	327.73	5.25	-70.83
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774921	0	41	-1.0	-59.99	327.75	6.48	-53.51
COC(=O)C1=NN(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774922	0	38	-1.0	-47.16	314.47	2.91	-44.25
N#CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774923	0	33	-1.0	-38.81	284.73	4.03	-34.78
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774924	0	39	-1.0	-55.09	307.64	3.58	-51.51
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)CCCC1	REAL300010774925	0	36	-1.0	-51.29	319.79	5.48	-45.81
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2C=C1	REAL300010774926	0	44	-1.0	-59.39	362.89	7.22	-52.17
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774927	0	41	-1.0	-51.98	303.01	3.62	-48.36
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300010774928	0	41	-1.0	-59.83	328.23	3.81	-56.02
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C2CCC2)CCCC1	REAL300010774929	0	39	-1.0	-42.97	308.42	2.60	-40.37
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN=C1C(F)(F)F	REAL300010774930	0	37	-1.0	-54.42	314.28	3.86	-50.56
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCCC1	REAL300010774931	0	35	-1.0	-52.07	308.48	5.20	-46.87
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CF)C=C2)CCCC1	REAL300010774932	0	35	-1.0	-58.96	291.33	4.95	-54.01
O=C([O-])C1(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)CCCC1	REAL300010774933	0	32	-1.0	-54.74	279.43	4.62	-50.12
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)CCCC1	REAL300010774934	0	32	-1.0	-50.09	294.14	4.51	-45.58
O=C([O-])C1(NS(=O)(=O)N2CCC(F)(F)CC2)CCCC1	REAL300010774935	0	37	-1.0	-56.21	281.99	3.22	-52.99
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774936	0	42	-1.0	-60.83	345.54	3.15	-57.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774937	0	29	-1.0	-58.28	269.30	3.06	-55.22
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCCC1	REAL300010774937	1	28	-2.0	-123.20	267.70	3.32	-119.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)CCCC1	REAL300010774938	0	35	-1.0	-54.17	315.24	5.56	-48.61
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)F)CCCC1	REAL300010774939	0	35	-1.0	-65.54	281.49	5.66	-59.88
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774940	0	43	-1.0	-72.09	347.94	6.31	-65.78
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCCC1	REAL300010774941	0	43	-1.0	-60.88	326.11	7.02	-53.86
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300010774942	0	42	-1.0	-72.00	343.57	5.83	-66.17
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCCC1	REAL300010774943	0	38	-1.0	-55.24	323.13	5.28	-49.96
O=C([O-])C1(NS(=O)(=O)N2CC3=CC=CC=C3C2)CCCC1	REAL300010774944	0	38	-1.0	-43.69	300.24	4.82	-38.87
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774945	0	37	-1.0	-42.05	319.71	4.59	-37.46
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCCC1	REAL300010774946	0	39	-1.0	-66.96	316.30	2.63	-64.33
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774947	0	42	-1.0	-54.64	359.54	4.91	-49.73
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)CCCC1	REAL300010774948	0	32	-1.0	-55.64	296.78	5.42	-50.22
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCCC1	REAL300010774949	0	32	-1.0	-37.58	278.82	3.98	-33.60
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCCC1	REAL300010774950	0	39	-1.0	-58.03	312.57	6.38	-51.65
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=CS1	REAL300010774951	0	33	-1.0	-60.78	286.87	2.71	-58.07
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)CCCC1	REAL300010774952	0	35	-1.0	-56.36	288.96	5.64	-50.72
COC(=O)C1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774953	0	38	-1.0	-53.38	328.70	4.58	-48.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)CCCC1	REAL300010774954	0	39	-1.0	-56.83	319.33	6.47	-50.36
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCCC1	REAL300010774955	0	42	-1.0	-42.17	313.92	4.17	-38.00
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774956	0	41	-1.0	-53.41	323.13	4.07	-49.34
CNC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774957	0	41	-1.0	-60.41	333.38	1.84	-58.57
CS(=O)(=O)C1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774958	0	35	-1.0	-42.57	318.07	0.39	-42.18
CNC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300010774959	0	41	-1.0	-60.41	333.38	1.84	-58.57
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CS2)CCCC1	REAL300010774960	0	33	-1.0	-58.85	287.17	4.78	-54.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCCC1	REAL300010774961	0	35	-1.0	-58.95	286.94	5.85	-53.10
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774962	0	44	-1.0	-65.69	349.48	7.92	-57.77
CN(C1CCCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774963	0	46	-1.0	-56.28	324.20	5.45	-50.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCC1	REAL300010774964	0	32	-1.0	-57.29	288.00	3.72	-53.57
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)CCCC1	REAL300010774964	1	31	-2.0	-120.63	287.17	3.81	-116.82
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774965	0	36	-1.0	-41.29	303.14	3.78	-37.51
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCOCC2)=N1	REAL300010774966	0	46	-1.0	-57.63	359.60	3.25	-54.38
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774967	0	38	-1.0	-60.97	316.58	5.79	-55.18
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCCC1	REAL300010774968	0	36	-1.0	-59.85	302.61	3.85	-56.00
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CCCC1	REAL300010774969	0	47	-1.0	-58.26	343.29	6.48	-51.78
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300010774970	0	33	-1.0	-57.01	286.24	2.71	-54.30
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C12	REAL300010774971	0	43	-1.0	-62.11	326.54	6.13	-55.98
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CCCC1	REAL300010774972	0	40	-1.0	-57.14	308.07	4.02	-53.12
O=C([O-])C1(NS(=O)(=O)C2=CN(CCF)N=C2)CCCC1	REAL300010774973	0	35	-1.0	-58.79	296.39	2.79	-56.00
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774974	0	42	-1.0	-61.14	340.27	4.96	-56.18
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300010774975	0	41	-1.0	-63.31	337.30	6.23	-57.08
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774976	0	42	-1.0	-50.90	337.92	5.76	-45.14
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCCC1	REAL300010774977	0	45	-1.0	-58.00	350.07	5.12	-52.88
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCCC1	REAL300010774978	0	43	-1.0	-55.97	351.94	7.20	-48.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CF)CCCC1	REAL300010774979	0	35	-1.0	-58.84	280.14	5.26	-53.58
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774980	0	44	-1.0	-65.82	349.30	6.94	-58.88
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(C)=C1Br	REAL300010774981	0	38	-1.0	-54.71	321.04	5.91	-48.80
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCCC1	REAL300010774982	0	37	-1.0	-57.41	323.33	5.49	-51.92
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CCCC1	REAL300010774982	1	36	-2.0	-127.97	329.00	5.70	-122.27
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)SC=N2)CCCC1	REAL300010774983	0	31	-1.0	-60.85	285.23	2.22	-58.63
N#CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1F	REAL300010774984	0	33	-1.0	-40.87	285.90	4.11	-36.76
O=C([O-])C1(NS(=O)(=O)CC2=CC3=NON=C3C=C2)CCCC1	REAL300010774985	0	36	-1.0	-60.05	299.54	3.55	-56.50
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2[O-])CCCC1	REAL300010774986	0	32	-2.0	-104.83	275.45	2.75	-102.08
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2O)CCCC1	REAL300010774986	1	33	-1.0	-58.92	280.83	1.94	-56.98
O=C([O-])C1(NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCCC1	REAL300010774987	0	38	-1.0	-43.55	334.63	5.32	-38.23
O=C([O-])C1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CCCC1	REAL300010774987	1	37	-2.0	-126.35	335.07	6.18	-120.17
O=C([O-])C1(NS(=O)(=O)C2=CN=C(F)C(Cl)=C2)CCCC1	REAL300010774988	0	31	-1.0	-49.57	281.00	2.92	-46.65
N#CC1(OCCS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCOCC1	REAL300010774989	0	44	-1.0	-63.19	345.28	1.69	-61.50
CCN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1Cl	REAL300010774990	0	35	-1.0	-56.09	306.22	3.16	-52.93
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Br)CCCC1	REAL300010774991	0	36	-1.0	-57.99	312.15	5.85	-52.14
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1(C(=O)[O-])CCCC1)=C2	REAL300010774992	0	38	-1.0	-55.31	347.20	5.52	-49.79
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CCCC1	REAL300010774993	0	31	-2.0	-131.73	292.42	5.48	-126.25
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774994	0	34	-1.0	-50.62	305.27	3.56	-47.06
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774994	1	33	-2.0	-120.52	304.33	3.85	-116.67
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)CCCC1	REAL300010774995	0	37	-1.0	-65.49	319.51	5.35	-60.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)CCCC1	REAL300010774996	0	37	-1.0	-43.51	313.06	4.66	-38.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774997	0	34	-1.0	-50.62	305.27	3.56	-47.06
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CCCC1	REAL300010774997	1	33	-2.0	-120.52	304.33	3.85	-116.67
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300010774998	0	41	-1.0	-47.10	319.51	6.54	-40.56
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300010774999	0	36	-1.0	-66.38	316.78	5.12	-61.26
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1	REAL300010774999	1	35	-2.0	-135.73	318.05	5.10	-130.63
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCCF)C=C2)CCCC1	REAL300010775000	0	39	-1.0	-60.44	321.28	4.64	-55.80
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1F	REAL300010777028	0	36	-1.0	-59.96	300.27	4.30	-55.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010777029	0	36	-1.0	-61.74	319.74	5.54	-56.20
COC(=O)C1CCCCC1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777030	0	41	-1.0	-67.91	319.83	6.22	-61.69
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777031	0	44	-1.0	-57.25	353.14	6.42	-50.83
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777032	0	37	-1.0	-67.94	333.51	7.00	-60.94
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777033	0	36	-1.0	-68.42	311.71	3.88	-64.54
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777034	0	37	-1.0	-44.52	306.98	5.87	-38.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010777035	0	34	-1.0	-63.49	311.85	5.22	-58.27
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010777036	0	29	-1.0	-55.80	283.16	6.09	-49.71
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010777037	0	31	-1.0	-79.99	278.66	6.34	-73.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010777038	0	26	-1.0	-44.25	257.35	2.91	-41.34
N#CC1(CS(=O)(=O)N2CCCC2C(=O)[O-])CCCCC1	REAL300010777039	0	39	-1.0	-44.60	308.03	5.12	-39.48
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010777040	0	31	-1.0	-54.64	277.01	4.72	-49.92
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777041	0	33	-1.0	-57.81	306.16	4.92	-52.89
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN1C	REAL300010777042	0	39	-1.0	-59.83	332.32	5.09	-54.74
O=C([O-])C1CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010777043	0	42	-1.0	-72.33	367.81	6.04	-66.29
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300010777044	0	36	-1.0	-53.17	316.59	2.71	-50.46
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010777045	0	41	-1.0	-49.36	332.96	5.50	-43.86
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010777046	0	29	-1.0	-52.22	266.06	4.90	-47.32
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Cl)=N1	REAL300010777047	0	31	-1.0	-47.80	279.15	3.26	-44.54
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777048	0	34	-1.0	-60.89	301.68	4.96	-55.93
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010777049	0	36	-1.0	-61.54	318.02	6.22	-55.32
CSC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777050	0	33	-1.0	-49.50	303.99	5.52	-43.98
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777051	0	31	-1.0	-54.08	291.13	4.52	-49.56
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777052	0	39	-1.0	-73.41	340.17	1.47	-71.94
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN=C1Cl	REAL300010777053	0	32	-1.0	-46.80	289.75	1.89	-44.91
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777054	0	38	-1.0	-42.98	324.82	5.01	-37.97
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010777055	0	44	-1.0	-44.10	362.62	4.48	-39.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010777056	0	28	-1.0	-37.66	270.25	3.89	-33.77
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777057	0	47	0.0	-81.80	371.26	6.17	-75.63
CC1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777058	0	35	-1.0	-63.22	306.74	6.38	-56.84
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777059	0	32	-1.0	-58.04	285.60	5.95	-52.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010777060	0	33	-1.0	-73.93	289.96	4.39	-69.54
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010777061	0	29	-1.0	-55.86	280.02	5.25	-50.61
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777062	0	37	-1.0	-69.28	309.35	5.33	-63.95
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300010777063	0	56	-1.0	-56.86	442.30	9.53	-47.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010777064	0	38	-1.0	-60.42	315.92	6.39	-54.03
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777065	0	43	-1.0	-68.58	374.42	5.78	-62.80
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777066	0	30	-1.0	-46.23	283.03	4.93	-41.30
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010777067	0	32	-1.0	-62.65	299.32	4.07	-58.58
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010777068	0	44	-1.0	-56.78	354.88	5.15	-51.63
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010777069	0	35	-1.0	-47.52	315.98	6.93	-40.59
COC(=O)CCCCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777070	0	40	-1.0	-69.34	340.02	5.81	-63.53
CN1N=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CN=C21	REAL300010777071	0	34	-1.0	-56.40	299.71	4.12	-52.28
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777072	0	32	-1.0	-42.61	316.36	4.70	-37.91
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777073	0	37	-1.0	-64.73	322.55	3.21	-61.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010777075	0	32	-1.0	-53.28	311.14	6.52	-46.76
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777076	0	40	-1.0	-72.18	342.41	3.59	-68.59
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777077	0	34	-1.0	-55.51	309.90	6.07	-49.44
COC1=C(F)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777078	0	35	-1.0	-55.20	318.84	5.82	-49.38
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777079	0	39	-1.0	-42.58	339.36	3.36	-39.22
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010777080	0	40	-1.0	-64.76	347.81	5.88	-58.88
COC1=CC=C(CCS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777081	0	39	-1.0	-62.08	329.80	5.84	-56.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010777082	0	44	-1.0	-68.49	373.87	5.99	-62.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010777083	0	32	-1.0	-63.04	293.29	3.90	-59.14
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010777084	0	40	-1.0	-63.42	337.37	6.31	-57.11
CC1=CC=NC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C12	REAL300010777085	0	37	-1.0	-68.07	309.97	6.44	-61.63
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(OC)C=C1Br	REAL300010777086	0	37	-1.0	-60.33	331.07	4.46	-55.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010777087	0	32	-1.0	-55.30	282.96	4.98	-50.32
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010777088	0	32	-1.0	-55.05	297.45	5.62	-49.43
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777089	0	32	-1.0	-58.85	298.05	6.27	-52.58
CSC1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777090	0	33	-1.0	-64.68	285.83	5.52	-59.16
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300010777091	0	36	-1.0	-48.73	323.12	3.69	-45.04
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777092	0	40	-1.0	-50.37	324.41	4.00	-46.37
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010777093	0	41	-1.0	-52.16	337.88	3.49	-48.67
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010777094	0	35	-1.0	-58.00	335.85	3.12	-54.88
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010777095	0	37	-1.0	-49.61	318.31	5.19	-44.42
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777096	0	39	-1.0	-42.58	339.36	3.36	-39.22
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010777097	0	32	-1.0	-64.12	302.61	6.24	-57.88
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(OC)=C1	REAL300010777098	0	39	-1.0	-60.97	335.62	5.22	-55.75
COC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=CS1	REAL300010777099	0	35	-1.0	-55.21	298.64	5.07	-50.14
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1F	REAL300010777100	0	33	-1.0	-45.50	284.55	3.41	-42.09
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777101	0	40	-1.0	-64.11	335.96	4.83	-59.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777102	0	43	-1.0	-64.16	365.23	6.32	-57.84
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010777103	0	43	-1.0	-65.76	365.65	7.97	-57.79
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777104	0	37	-1.0	-69.39	331.92	6.88	-62.51
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010777105	0	29	-1.0	-56.40	295.16	5.71	-50.69
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777106	0	41	0.0	-89.96	333.74	6.90	-83.06
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2O1	REAL300010777107	0	44	-1.0	-56.70	379.06	7.67	-49.03
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777108	0	41	-1.0	-70.45	341.13	6.93	-63.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010777109	0	29	-1.0	-41.29	284.42	5.09	-36.20
CC1=C(Cl)SC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777110	0	29	-1.0	-43.96	282.08	4.42	-39.54
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010777111	0	35	-1.0	-60.91	301.06	5.51	-55.40
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777112	0	33	-1.0	-59.50	288.19	3.92	-55.58
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010777113	0	37	-1.0	-59.78	303.17	7.36	-52.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010777114	0	35	-1.0	-61.57	316.34	6.78	-54.79
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010777115	0	39	-1.0	-44.08	336.10	6.75	-37.33
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777116	0	32	-1.0	-58.61	291.52	6.01	-52.60
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010777117	0	34	-1.0	-48.33	290.10	4.42	-43.91
CC1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777118	0	35	-1.0	-66.50	305.53	6.49	-60.01
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777119	0	37	-1.0	-60.35	310.06	6.14	-54.21
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010777120	0	29	-1.0	-61.17	282.02	5.33	-55.84
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010777121	0	31	-1.0	-65.92	303.99	6.86	-59.06
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010777122	0	39	-1.0	-44.08	336.10	6.75	-37.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010777123	0	28	-1.0	-41.68	266.64	2.62	-39.06
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010777124	0	29	-1.0	-44.63	284.96	5.13	-39.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010777125	0	40	-1.0	-53.80	351.92	4.82	-48.98
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010777126	0	29	-1.0	-44.86	267.91	4.42	-40.44
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777127	0	39	-1.0	-53.94	310.60	5.94	-48.00
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777128	0	35	-1.0	-51.94	308.09	4.73	-47.21
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777129	0	33	-1.0	-62.35	297.93	5.01	-57.34
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010777130	0	30	-1.0	-41.16	276.94	2.73	-38.43
O=C([O-])C1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010777131	0	42	-1.0	-62.35	343.79	8.34	-54.01
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC2C(=O)[O-])=NO1	REAL300010777132	0	40	-1.0	-63.76	338.09	5.68	-58.08
O=C([O-])C1CCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010777133	0	46	-1.0	-52.55	343.36	9.79	-42.76
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C12	REAL300010777134	0	43	-1.0	-63.49	346.16	6.36	-57.13
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777135	0	34	-1.0	-51.52	298.86	2.90	-48.62
N#CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300010777136	0	30	-1.0	-39.01	289.32	4.95	-34.06
O=C([O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010777137	0	31	-1.0	-55.26	302.51	6.37	-48.89
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777138	0	36	-1.0	-63.22	310.03	5.19	-58.03
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777139	0	35	-1.0	-57.28	335.25	5.72	-51.56
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OC	REAL300010777140	0	37	-1.0	-49.09	320.99	3.74	-45.35
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010777141	0	33	-1.0	-49.70	294.32	3.69	-46.01
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010777142	0	32	-1.0	-39.21	293.19	5.09	-34.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300010777143	0	40	-1.0	-47.91	340.70	1.02	-46.89
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2S1	REAL300010777144	0	41	-1.0	-57.60	369.99	8.04	-49.56
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010777145	0	35	-1.0	-50.80	307.80	3.76	-47.04
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300010777146	0	34	-1.0	-64.74	312.13	0.60	-64.14
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777147	0	35	-1.0	-57.62	313.42	5.29	-52.33
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777148	0	37	-1.0	-57.55	325.26	5.82	-51.73
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Br)=C1	REAL300010777149	0	33	-1.0	-57.86	295.30	4.57	-53.29
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1C(=O)[O-])OCO2	REAL300010777150	0	35	-1.0	-50.96	288.92	3.40	-47.56
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010777151	0	35	-1.0	-57.43	322.30	6.13	-51.30
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777152	0	35	-1.0	-60.88	303.11	5.83	-55.05
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010777153	0	29	-1.0	-54.64	280.04	5.65	-48.99
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777154	0	35	-1.0	-44.82	279.54	5.50	-39.32
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010777155	0	29	-1.0	-45.49	281.18	5.15	-40.34
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC1C(=O)[O-])OCC(=O)N2	REAL300010777156	0	39	-1.0	-63.59	331.88	1.73	-61.86
O=C([O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010777157	0	31	-1.0	-54.87	303.11	5.79	-49.08
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010777158	0	31	-1.0	-53.90	299.68	5.68	-48.22
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010777159	0	29	-1.0	-40.63	273.73	5.31	-35.32
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010777160	0	30	-1.0	-50.23	280.08	2.61	-47.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010777161	0	29	-1.0	-64.29	279.63	5.23	-59.06
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OC	REAL300010777162	0	39	-1.0	-49.57	330.85	4.76	-44.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010777163	0	29	-1.0	-54.37	282.56	5.78	-48.59
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010777164	0	32	-1.0	-62.72	296.76	6.18	-56.54
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777165	0	32	-1.0	-51.85	297.07	1.69	-50.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777165	1	31	-2.0	-109.42	293.76	0.56	-108.86
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010777166	0	32	-1.0	-62.62	301.33	6.29	-56.33
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777167	0	33	-1.0	-65.98	306.62	2.28	-63.70
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777168	0	38	-1.0	-79.07	325.63	7.11	-71.96
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777169	0	37	-1.0	-72.09	321.15	2.76	-69.33
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777170	0	33	-1.0	-65.73	311.18	2.39	-63.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2O1	REAL300010777171	0	40	-1.0	-54.88	332.92	5.51	-49.37
N#CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010777172	0	33	-1.0	-38.05	305.53	5.23	-32.82
COCCN(CCC#N)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777173	0	38	-1.0	-60.50	324.67	3.55	-56.95
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777174	0	36	-1.0	-63.06	324.93	5.64	-57.42
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777175	0	30	-1.0	-69.63	286.46	5.18	-64.45
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777176	0	30	-1.0	-65.91	288.00	5.30	-60.61
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777177	0	35	-1.0	-57.33	303.04	6.32	-51.01
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777178	0	46	-1.0	-63.44	389.56	3.90	-59.54
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010777179	0	35	-1.0	-58.63	310.33	5.50	-53.13
COCCOCCOCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777180	0	43	-1.0	-64.38	364.70	2.27	-62.11
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777181	0	39	-1.0	-69.94	341.91	2.01	-67.93
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010777182	0	29	-1.0	-42.00	266.06	4.78	-37.22
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2CC1	REAL300010777183	0	46	-1.0	-58.66	361.98	6.00	-52.66
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010777184	0	38	-1.0	-51.11	333.79	5.51	-45.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300010777185	0	39	-1.0	-58.55	348.11	6.11	-52.44
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777186	0	38	-1.0	-48.26	326.73	6.75	-41.51
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777187	0	38	-1.0	-48.69	322.55	6.46	-42.23
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777188	0	39	-1.0	-65.95	335.28	4.05	-61.90
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777189	0	43	-1.0	-53.89	364.73	5.65	-48.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010777190	0	29	-1.0	-61.22	275.70	5.14	-56.08
O=C([O-])C1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010777191	0	42	-1.0	-66.12	357.00	6.51	-59.61
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010777192	0	38	-1.0	-57.43	348.15	6.61	-50.82
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010777193	0	31	-1.0	-39.06	291.17	5.78	-33.28
O=C([O-])C1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010777194	0	38	-1.0	-78.78	318.30	2.02	-76.76
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777195	0	37	-1.0	-61.01	317.42	6.18	-54.83
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300010777196	0	40	-1.0	-63.90	349.76	4.26	-59.64
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(F)C=C1C	REAL300010777197	0	41	-1.0	-60.68	351.66	6.75	-53.93
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777198	0	43	-1.0	-63.52	360.36	2.25	-61.27
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777199	0	40	-1.0	-66.97	336.28	4.21	-62.76
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777200	0	42	-1.0	-66.41	357.72	6.07	-60.34
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1C	REAL300010777201	0	41	-1.0	-44.94	341.54	6.15	-38.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010777202	0	32	-1.0	-59.33	286.66	6.19	-53.14
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777203	0	41	-1.0	-51.50	347.61	6.40	-45.10
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777204	0	35	-1.0	-67.95	317.56	7.19	-60.76
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010777205	0	32	-1.0	-62.97	301.87	6.50	-56.47
CC(COC1CCCC1)CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777206	0	45	-1.0	-63.84	357.76	6.23	-57.61
CC1=C(CCS(=O)(=O)N2CCCC2C(=O)[O-])SC=N1	REAL300010777207	0	34	-1.0	-61.90	305.47	4.19	-57.71
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010777208	0	35	-1.0	-61.61	317.03	7.05	-54.56
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777209	0	38	-1.0	-64.21	335.57	6.20	-58.01
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010777210	0	39	-1.0	-54.18	323.03	7.46	-46.72
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777211	0	43	-1.0	-60.62	374.53	2.78	-57.84
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010777212	0	32	-1.0	-62.81	295.52	6.34	-56.47
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN1C	REAL300010777213	0	41	-1.0	-56.06	351.33	5.27	-50.79
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010777214	0	35	-1.0	-48.87	319.34	1.98	-46.89
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010777215	0	33	-1.0	-63.88	303.12	5.69	-58.19
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010777216	0	32	-1.0	-58.40	287.57	5.86	-52.54
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777217	0	31	-1.0	-44.79	276.71	3.29	-41.50
CC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(Br)N1C	REAL300010777218	0	32	-1.0	-68.37	297.97	4.15	-64.22
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010777219	0	30	-1.0	-46.95	272.27	2.89	-44.06
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777220	0	42	-1.0	-62.96	342.79	4.90	-58.06
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010777221	0	32	-2.0	-118.69	297.87	4.26	-114.43
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010777221	1	33	-1.0	-61.33	301.86	3.54	-57.79
CCOC(=O)CC1(S(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300010777222	0	38	-1.0	-49.93	314.79	5.58	-44.35
O=C([O-])C1CCCN1S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010777223	0	46	-1.0	-67.47	401.06	5.36	-62.11
N#CC1=CC(F)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300010777224	0	30	-1.0	-56.26	299.47	5.52	-50.74
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777225	0	40	-1.0	-66.04	351.92	4.05	-61.99
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010777226	0	44	-1.0	-45.22	361.78	6.87	-38.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777227	0	41	-1.0	-62.72	359.05	4.21	-58.51
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777228	0	40	-1.0	-45.04	369.88	4.78	-40.26
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010777229	0	34	-1.0	-51.05	295.26	1.25	-49.80
COC(=O)C1(CS(=O)(=O)N2CCCC2C(=O)[O-])CCCC1	REAL300010777230	0	41	-1.0	-49.71	324.39	5.90	-43.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010777231	0	28	-1.0	-42.37	280.20	3.12	-39.25
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777232	0	36	-1.0	-59.39	327.18	5.22	-54.17
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010777233	0	35	-1.0	-43.90	303.25	5.56	-38.34
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010777234	0	40	-1.0	-57.70	362.50	8.43	-49.27
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777235	0	38	-1.0	-51.53	325.74	5.49	-46.04
O=C([O-])C1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010777236	0	31	-1.0	-66.00	285.01	4.40	-61.60
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010777237	0	35	-1.0	-61.61	317.62	6.90	-54.71
COC(=O)C1(CS(=O)(=O)N2CCCC2C(=O)[O-])CCC1	REAL300010777238	0	38	-1.0	-48.43	315.98	4.65	-43.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010777239	0	29	-1.0	-57.06	289.98	4.89	-52.17
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777240	0	33	-1.0	-60.39	303.56	6.08	-54.31
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1I	REAL300010777241	0	32	-1.0	-44.21	294.21	5.67	-38.54
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777242	0	42	-1.0	-66.17	365.23	5.36	-60.81
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777243	0	45	-1.0	-65.87	387.09	6.28	-59.59
COC(=O)C1(CS(=O)(=O)N2CCCC2C(=O)[O-])CCCCC1	REAL300010777244	0	44	-1.0	-56.38	330.56	6.57	-49.81
COC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN=C1C	REAL300010777245	0	37	-1.0	-45.55	315.11	3.39	-42.16
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010777246	0	33	-1.0	-63.70	304.79	4.43	-59.27
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777247	0	38	-1.0	-60.01	348.74	7.08	-52.93
O=C([O-])C1CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010777248	0	45	-1.0	-70.16	389.31	6.83	-63.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010777249	0	31	-1.0	-42.44	298.04	3.74	-38.70
O=C([O-])C1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010777250	0	42	-1.0	-64.16	314.43	6.83	-57.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010777251	0	38	-1.0	-53.49	313.62	5.65	-47.84
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010777252	0	30	-1.0	-43.18	288.72	3.57	-39.61
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010777253	0	35	-1.0	-63.08	312.97	6.70	-56.38
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010777254	0	32	-1.0	-46.80	285.35	2.77	-44.03
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010777255	0	31	-1.0	-66.07	299.57	6.77	-59.30
COC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(F)C=C1C	REAL300010777256	0	38	-1.0	-60.76	329.80	5.82	-54.94
CC1=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2N=C1Cl	REAL300010777257	0	37	-1.0	-44.66	325.25	5.43	-39.23
O=C([O-])C1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010777258	0	38	-1.0	-50.46	305.36	5.43	-45.03
O=C([O-])C1CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010777259	0	39	-1.0	-60.89	335.50	5.73	-55.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(C)C)=C1	REAL300010777260	0	56	-1.0	-47.39	408.23	9.94	-37.45
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010777261	0	34	-1.0	-63.28	306.57	6.34	-56.94
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777262	0	41	-1.0	-63.24	355.48	7.37	-55.87
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777263	0	34	-1.0	-57.22	292.59	3.98	-53.24
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777264	0	36	-1.0	-57.41	323.94	5.31	-52.10
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3C(=O)[O-])CCC2=C1	REAL300010777265	0	41	-1.0	-60.78	339.36	6.70	-54.08
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010777266	0	37	-1.0	-59.48	315.90	5.96	-53.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010777267	0	32	-1.0	-59.77	293.58	5.16	-54.61
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010777268	0	32	-1.0	-51.50	304.66	6.20	-45.30
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777269	0	43	-1.0	-64.51	378.89	2.92	-61.59
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777269	1	42	-2.0	-103.53	371.95	3.11	-100.42
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010777270	0	32	-1.0	-64.01	307.03	6.33	-57.68
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777271	0	38	-1.0	-74.99	340.73	3.18	-71.81
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C=C1	REAL300010777272	0	38	-1.0	-51.20	316.07	6.98	-44.22
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777273	0	38	-1.0	-62.56	332.88	6.41	-56.15
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010777274	0	44	-1.0	-68.15	376.98	5.55	-62.60
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777275	0	42	-1.0	-67.40	351.36	5.35	-62.05
O=C([O-])C1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010777276	0	32	-1.0	-64.34	297.59	6.25	-58.09
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010777277	0	35	-1.0	-66.87	303.81	6.86	-60.01
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(CC)=C1	REAL300010777278	0	47	-1.0	-58.32	356.70	9.24	-49.08
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300010777279	0	48	-1.0	-56.44	396.88	5.76	-50.68
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010777280	0	36	-1.0	-58.67	304.89	3.79	-54.88
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010777281	0	31	-1.0	-61.15	303.53	4.91	-56.24
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777282	0	37	-1.0	-64.19	325.81	4.77	-59.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010777283	0	37	-1.0	-56.89	326.52	3.56	-53.33
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777284	0	34	-1.0	-50.09	303.07	-1.00	-51.09
CC(C)(CCS(=O)(=O)N1CCCC1C(=O)[O-])S(C)(=O)=O	REAL300010777285	0	40	-1.0	-70.04	329.46	2.07	-67.97
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010777286	0	33	-1.0	-45.06	294.36	3.91	-41.15
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010777287	0	32	-1.0	-48.07	290.82	1.75	-46.32
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777288	0	42	-1.0	-53.59	347.95	5.13	-48.46
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010777289	0	38	-1.0	-53.73	319.30	6.92	-46.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010777290	0	33	-1.0	-57.00	297.36	4.82	-52.18
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010777291	0	33	-1.0	-56.96	307.69	5.27	-51.69
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777292	0	38	-1.0	-47.39	331.24	5.54	-41.85
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777293	0	42	-1.0	-66.91	346.04	6.02	-60.89
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777294	0	33	-1.0	-62.69	287.61	4.56	-58.13
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010777295	0	32	-1.0	-61.05	313.55	6.81	-54.24
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010777296	0	32	-1.0	-59.91	312.19	6.84	-53.07
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010777297	0	32	-1.0	-56.73	294.96	4.09	-52.64
CCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777298	0	37	-1.0	-41.12	311.26	5.88	-35.24
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777299	0	45	-1.0	-65.35	357.38	6.81	-58.54
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300010777300	0	36	-1.0	-59.64	330.79	7.38	-52.26
N#CCC1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777301	0	36	-1.0	-66.94	321.04	6.93	-60.01
COC1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777302	0	32	-1.0	-43.76	292.14	1.16	-42.60
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777303	0	38	-1.0	-57.14	335.29	6.22	-50.92
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777304	0	38	-1.0	-59.08	349.18	6.65	-52.43
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010777305	0	32	-1.0	-61.26	295.53	6.29	-54.97
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010777306	0	32	-1.0	-44.81	284.29	5.15	-39.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010777307	0	35	-1.0	-71.01	303.47	5.98	-65.03
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)=N1	REAL300010777308	0	38	-1.0	-58.32	341.60	6.46	-51.86
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1F	REAL300010777309	0	35	-1.0	-57.41	328.35	5.75	-51.66
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777310	0	38	-1.0	-54.75	334.21	5.53	-49.22
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777311	0	35	-1.0	-62.81	312.67	6.83	-55.98
O=C([O-])C1CCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010777312	0	42	-1.0	-63.93	334.89	5.01	-58.92
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010777313	0	44	-1.0	-53.01	369.98	2.80	-50.21
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010777314	0	37	-1.0	-67.64	304.31	5.85	-61.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010777315	0	36	-1.0	-67.25	320.46	2.86	-64.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010777316	0	29	-1.0	-46.37	271.42	4.62	-41.75
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])SC(Br)=C1	REAL300010777317	0	29	-1.0	-57.83	289.82	5.13	-52.70
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010777318	0	38	-1.0	-63.70	314.64	5.02	-58.68
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777319	0	39	-1.0	-58.77	325.81	3.41	-55.36
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010777320	0	35	-1.0	-60.58	306.71	6.61	-53.97
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010777321	0	35	-1.0	-62.60	307.04	6.49	-56.11
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010777322	0	35	-1.0	-61.83	314.10	6.83	-55.00
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777323	0	33	-1.0	-57.86	308.19	5.16	-52.70
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC1C(=O)[O-])C(=O)NCCC2	REAL300010777324	0	44	-1.0	-71.84	357.25	3.57	-68.27
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCCC3C(=O)[O-])S2)C1	REAL300010777325	0	40	-1.0	-47.96	342.83	4.63	-43.33
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010777326	0	36	-1.0	-62.17	333.41	7.38	-54.79
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1CCOC1	REAL300010777327	0	40	-1.0	-67.45	319.75	3.14	-64.31
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010777328	0	32	-1.0	-60.31	301.85	6.42	-53.89
NC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(F)C=C1Br	REAL300010777329	0	33	-1.0	-59.11	309.76	2.04	-57.07
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010777330	0	32	-1.0	-60.81	298.63	6.29	-54.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010777331	0	29	-1.0	-54.21	293.40	6.12	-48.09
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777332	0	36	-1.0	-72.44	311.27	2.43	-70.01
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777333	0	54	-1.0	-57.94	435.72	9.92	-48.02
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777334	0	44	-1.0	-63.79	365.23	7.34	-56.45
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777335	0	39	-1.0	-63.52	345.30	6.82	-56.70
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010777336	0	29	-1.0	-46.24	275.84	4.72	-41.52
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777337	0	35	-1.0	-51.94	308.09	4.73	-47.21
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010777338	0	43	-1.0	-48.84	356.98	7.11	-41.73
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010777339	0	43	-1.0	-52.97	366.32	7.40	-45.57
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010777340	0	28	-1.0	-65.66	266.28	3.53	-62.13
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCCC3C(=O)[O-])=C2)=N1	REAL300010777341	0	41	-1.0	-62.62	343.51	4.06	-58.56
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010777342	0	39	-1.0	-62.70	336.86	6.07	-56.63
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010777343	0	41	-1.0	-49.74	332.81	5.49	-44.25
COC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])N(C)N=C1	REAL300010777344	0	35	-1.0	-45.48	295.35	3.30	-42.18
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300010777345	0	37	-1.0	-46.02	329.83	2.90	-43.12
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C12	REAL300010777346	0	41	-1.0	-60.71	342.79	7.03	-53.68
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300010777347	0	40	-1.0	-49.27	333.56	3.14	-46.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1F	REAL300010777348	0	35	-1.0	-57.55	318.02	5.31	-52.24
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C(Cl)C=C21	REAL300010777349	0	40	-1.0	-56.45	342.91	5.65	-50.80
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777350	0	42	-1.0	-54.40	338.86	5.71	-48.69
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1CCCC1	REAL300010777351	0	42	-1.0	-66.48	329.94	5.70	-60.78
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1CCCCC1	REAL300010777352	0	45	-1.0	-66.92	344.26	6.30	-60.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010777353	0	32	-1.0	-57.98	297.14	4.20	-53.78
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010777354	0	48	-1.0	-48.35	379.87	7.09	-41.26
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010777355	0	32	-1.0	-72.17	305.20	4.45	-67.72
COC1=CC(F)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777356	0	33	-1.0	-60.25	287.34	4.63	-55.62
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010777357	0	37	-1.0	-60.58	314.33	6.49	-54.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010777358	0	42	-1.0	-50.43	356.07	6.43	-44.00
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])O1	REAL300010777359	0	35	-1.0	-60.14	314.77	4.08	-56.06
CCC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN1CC1CC1	REAL300010777360	0	42	-1.0	-54.25	351.72	6.01	-48.24
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777361	0	35	-1.0	-71.94	326.34	6.96	-64.98
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C1	REAL300010777362	0	40	-1.0	-68.69	339.14	5.50	-63.19
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777363	0	32	-1.0	-53.43	299.50	3.23	-50.20
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010777364	0	40	-1.0	-47.29	349.44	8.15	-39.14
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777365	0	32	-1.0	-58.99	291.52	6.00	-52.99
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010777366	0	39	-1.0	-57.26	315.46	7.35	-49.91
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010777367	0	49	-1.0	-59.14	408.43	9.79	-49.35
CC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777368	0	35	-1.0	-61.04	316.88	6.99	-54.05
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777369	0	36	-1.0	-64.27	323.67	5.70	-58.57
O=C([O-])C1CCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010777370	0	35	-1.0	-65.23	312.10	6.51	-58.72
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1F	REAL300010777371	0	32	-1.0	-65.64	285.65	5.34	-60.30
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010777372	0	28	-1.0	-43.61	275.74	2.86	-40.75
CC(C)OC1=CN=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777373	0	38	-1.0	-44.51	313.16	3.11	-41.40
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010777374	0	35	-1.0	-53.56	311.60	2.64	-50.92
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010777375	0	36	-1.0	-45.29	324.05	3.36	-41.93
COC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])OC=C1	REAL300010777376	0	32	-1.0	-69.71	293.63	3.70	-66.01
CCC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C)C=C1OC	REAL300010777377	0	42	-1.0	-60.33	336.70	5.74	-54.59
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010777378	0	35	-1.0	-55.15	326.58	6.87	-48.28
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777379	0	37	-1.0	-65.44	327.82	5.61	-59.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2C(=O)[O-])=N1	REAL300010777380	0	31	-1.0	-71.98	284.42	3.59	-68.39
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777381	0	32	-1.0	-58.78	300.65	6.42	-52.36
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010777382	0	38	-1.0	-65.77	307.11	8.10	-57.67
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010777383	0	36	-1.0	-55.30	316.96	4.57	-50.73
CC1=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2NC1=O	REAL300010777384	0	38	-1.0	-46.35	319.96	3.79	-42.56
CN1N=NC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777385	0	34	-1.0	-58.27	299.22	3.45	-54.82
CC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010777386	0	38	-1.0	-46.50	326.59	5.43	-41.07
O=C([O-])C1CCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010777387	0	29	-1.0	-44.38	262.24	1.45	-42.93
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010777388	0	34	-1.0	-57.72	303.23	5.82	-51.90
O=C([O-])C1CCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010777389	0	35	-1.0	-48.75	303.17	5.13	-43.62
C[NH+]1CCN(CCCS(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300010777390	0	46	0.0	-85.67	356.85	4.03	-81.64
CN1CCN(CCCS(=O)(=O)N2CCCC2C(=O)[O-])CC1	REAL300010777390	1	45	-1.0	-62.35	353.92	1.88	-60.47
CN1N=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1Br	REAL300010777391	0	29	-1.0	-49.31	274.91	2.21	-47.10
CN1N=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1I	REAL300010777392	0	29	-1.0	-49.41	278.56	2.58	-46.83
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777393	0	33	-1.0	-52.67	283.65	5.03	-47.64
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300010777394	0	38	-1.0	-56.72	324.53	3.54	-53.18
CCCCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=N1	REAL300010777395	0	41	-1.0	-49.51	340.53	4.89	-44.62
COC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(OC)C=C1F	REAL300010777396	0	39	-1.0	-60.02	340.38	5.18	-54.84
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777397	0	39	-1.0	-75.77	334.43	5.64	-70.13
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777398	0	33	-1.0	-59.58	285.55	4.76	-54.82
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010777399	0	45	-1.0	-48.82	358.37	6.28	-42.54
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777400	0	41	-1.0	-43.97	327.09	6.29	-37.68
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010777401	0	32	-1.0	-61.39	298.65	6.26	-55.13
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010777402	0	48	-1.0	-64.04	381.84	9.48	-54.56
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777403	0	34	-1.0	-64.37	317.35	5.22	-59.15
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010777404	0	26	-1.0	-66.20	256.73	2.71	-63.49
O=C([O-])C1CCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010777405	0	37	-1.0	-61.24	323.65	5.89	-55.35
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010777406	0	28	-1.0	-43.18	274.14	3.17	-40.01
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010777407	0	28	-1.0	-43.47	271.15	2.78	-40.69
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777408	0	32	-1.0	-58.73	300.32	2.48	-56.25
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010777409	0	34	-1.0	-51.95	304.32	4.90	-47.05
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010777410	0	31	-1.0	-53.40	295.11	4.87	-48.53
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010777411	0	39	-1.0	-50.05	345.01	5.07	-44.98
CC1(CS(=O)(=O)N2CCCC2C(=O)[O-])CC1(Cl)Cl	REAL300010777412	0	32	-1.0	-58.83	296.77	5.86	-52.97
O=C([O-])C1CCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010777413	0	28	-1.0	-64.26	284.49	3.30	-60.96
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010777414	0	31	-1.0	-58.03	308.84	5.09	-52.94
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010777415	0	31	-1.0	-74.33	293.88	5.76	-68.57
O=C([O-])C1CCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010777416	0	37	-1.0	-61.19	306.64	4.21	-56.98
CCOC(=O)C1(S(=O)(=O)N2CCCC2C(=O)[O-])CCC1	REAL300010777417	0	38	-1.0	-59.35	311.74	5.75	-53.60
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300010777418	0	40	-1.0	-68.56	342.97	1.42	-67.14
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010777419	0	30	-1.0	-50.50	298.06	3.32	-47.18
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777420	0	38	-1.0	-63.50	333.61	6.45	-57.05
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010777421	0	32	-1.0	-60.38	308.51	5.69	-54.69
CN1N=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010777422	0	32	-1.0	-47.57	280.73	2.57	-45.00
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777423	0	39	-1.0	-57.04	315.26	4.71	-52.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010777424	0	26	-1.0	-44.87	257.98	3.54	-41.33
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010777425	0	41	-1.0	-51.99	324.11	4.44	-47.55
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010777426	0	39	-1.0	-56.85	322.82	5.36	-51.49
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777427	0	32	-1.0	-40.81	276.79	2.96	-37.85
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777428	0	47	-1.0	-54.87	394.50	6.05	-48.82
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Br)=N1	REAL300010777429	0	29	-1.0	-47.52	276.78	2.29	-45.23
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010777430	0	31	-1.0	-61.27	292.16	3.75	-57.52
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777431	0	36	-1.0	-66.01	314.59	5.10	-60.91
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010777432	0	43	-1.0	-53.86	354.70	5.26	-48.60
C=CCCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777433	0	39	-1.0	-59.88	332.58	7.77	-52.11
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777434	0	32	-1.0	-70.08	286.67	2.31	-67.77
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777435	0	32	-1.0	-58.59	300.65	6.42	-52.17
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777436	0	34	-1.0	-58.06	296.12	4.61	-53.45
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777437	0	38	-1.0	-72.23	318.66	2.44	-69.79
CCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010777438	0	51	-1.0	-47.35	401.78	7.88	-39.47
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010777439	0	32	-1.0	-41.55	288.03	5.00	-36.55
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010777440	0	40	-1.0	-64.30	340.23	4.94	-59.36
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010777441	0	33	-1.0	-58.50	304.00	6.69	-51.81
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300010777442	0	51	-1.0	-47.80	392.85	7.77	-40.03
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1CC	REAL300010777443	0	45	-1.0	-47.59	363.38	6.56	-41.03
N#CCCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777444	0	36	-1.0	-64.93	319.12	6.95	-57.98
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777445	0	35	-1.0	-44.85	289.91	5.94	-38.91
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777446	0	43	-1.0	-65.12	353.25	4.36	-60.76
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010777447	0	32	-1.0	-64.71	311.72	6.66	-58.05
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010777448	0	32	-1.0	-65.63	302.60	6.25	-59.38
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010777449	0	39	-1.0	-65.76	337.16	6.99	-58.77
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777450	0	35	-1.0	-60.24	315.77	6.95	-53.29
CC1=CN=C(Cl)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777451	0	31	-1.0	-46.93	278.85	3.31	-43.62
COC1=CC=C(Br)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1F	REAL300010777452	0	33	-1.0	-45.65	291.38	4.13	-41.52
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777453	0	39	-1.0	-62.85	331.35	7.23	-55.62
CCOC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])N(C)N=C1	REAL300010777454	0	38	-1.0	-45.44	317.21	4.23	-41.21
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010777455	0	33	-1.0	-49.26	298.02	5.82	-43.44
O=C([O-])C1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010777456	0	34	-1.0	-65.34	292.72	1.67	-63.67
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C(C(N)=O)O1	REAL300010777457	0	33	-1.0	-58.80	291.42	0.13	-58.67
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(=O)OC	REAL300010777458	0	41	-1.0	-53.48	354.56	5.69	-47.79
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777459	0	42	-1.0	-59.70	359.78	5.33	-54.37
O=C([O-])C1CCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010777460	0	38	-1.0	-65.01	318.41	5.66	-59.35
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010777461	0	29	-1.0	-53.96	267.62	4.24	-49.72
COC(=O)C1=CC=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777462	0	34	-1.0	-57.70	303.39	2.90	-54.80
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010777463	0	35	-1.0	-62.28	306.71	6.62	-55.66
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777464	0	45	-1.0	-57.97	372.82	7.87	-50.10
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010777465	0	34	-1.0	-70.21	287.87	4.68	-65.53
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777466	0	49	-1.0	-63.63	375.44	6.50	-57.13
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777467	0	36	-1.0	-63.50	317.81	4.90	-58.60
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300010777468	0	43	-1.0	-48.15	344.40	4.13	-44.02
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010777469	0	44	-1.0	-71.57	366.05	7.65	-63.92
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300010777470	0	43	-1.0	-71.94	356.19	6.93	-65.01
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010777471	0	36	-2.0	-105.19	302.69	4.74	-100.45
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)C=C1	REAL300010777472	0	44	-1.0	-58.71	384.25	8.86	-49.85
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010777473	0	39	-1.0	-49.76	318.46	4.73	-45.03
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010777474	0	41	-1.0	-61.26	342.49	7.03	-54.23
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777475	0	42	-1.0	-67.87	357.10	6.05	-61.82
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777476	0	39	-1.0	-76.08	333.19	5.48	-70.60
CC1(C)COC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=NN2C1	REAL300010777477	0	40	-1.0	-55.40	331.09	2.29	-53.11
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010777478	0	35	-1.0	-59.51	324.26	5.60	-53.91
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010777479	0	35	-1.0	-45.39	299.58	1.27	-44.12
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010777480	0	26	-1.0	-60.25	261.47	3.30	-56.95
COC1=C(F)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777481	0	33	-1.0	-44.42	294.78	3.59	-40.83
COC1=CC(F)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300010777482	0	33	-1.0	-59.73	294.73	4.01	-55.72
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010777483	0	54	-1.0	-47.28	423.28	8.66	-38.62
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300010777484	0	45	-1.0	-61.94	353.20	6.12	-55.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777485	0	39	-1.0	-64.36	324.32	5.98	-58.38
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010777486	0	52	-1.0	-51.72	413.85	6.51	-45.21
CC1CC2=CC=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2O1	REAL300010777487	0	37	-1.0	-66.23	311.52	5.36	-60.87
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777488	0	37	-1.0	-47.25	320.80	3.85	-43.40
N#CC1(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300010777489	0	37	-1.0	-45.86	317.14	6.25	-39.61
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777490	0	33	-1.0	-47.57	283.37	4.67	-42.90
CC1=C(Br)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C)S1	REAL300010777491	0	32	-1.0	-48.11	290.71	5.26	-42.85
CC1=CC(Cl)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Br)=C1	REAL300010777492	0	32	-1.0	-60.23	303.54	6.72	-53.51
COC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=N1	REAL300010777493	0	34	-1.0	-42.70	299.85	2.89	-39.81
COC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1Br	REAL300010777494	0	35	-1.0	-66.83	316.94	5.41	-61.42
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300010777495	0	46	-1.0	-60.96	358.83	6.15	-54.81
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010777496	0	35	-1.0	-47.69	297.83	4.92	-42.77
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300010777497	0	43	-1.0	-79.80	354.81	6.60	-73.20
CN1N=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777498	0	29	-1.0	-41.99	266.92	2.40	-39.59
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010777499	0	31	-1.0	-43.43	283.03	3.24	-40.19
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777500	0	34	-1.0	-71.06	296.03	4.62	-66.44
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010777501	0	33	-1.0	-58.55	307.12	5.44	-53.11
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010777502	0	32	-1.0	-72.87	300.65	4.34	-68.53
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010777503	0	32	-1.0	-51.02	291.85	5.63	-45.39
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1F	REAL300010777504	0	38	-1.0	-50.23	298.57	6.09	-44.14
COC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300010777505	0	37	-1.0	-62.40	308.44	4.50	-57.90
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010777506	0	38	-1.0	-64.22	317.15	1.27	-62.95
N#CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300010777507	0	30	-1.0	-46.10	289.38	4.94	-41.16
COC1=CC=C(F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300010777508	0	37	-1.0	-52.18	306.36	4.33	-47.85
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777509	0	32	-1.0	-56.95	315.97	4.08	-52.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010777510	0	26	-1.0	-57.52	277.56	4.90	-52.62
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300010777511	0	42	-1.0	-51.24	336.60	4.82	-46.42
N#CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010777512	0	33	-1.0	-52.64	295.75	5.72	-46.92
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777513	0	31	-2.0	-107.83	287.43	5.18	-102.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010777514	0	33	-1.0	-59.35	294.62	4.57	-54.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010777515	0	33	-1.0	-68.73	308.73	5.14	-63.59
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010777516	0	32	-1.0	-52.85	279.32	3.30	-49.55
CN1N=NC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C21	REAL300010777517	0	34	-1.0	-55.34	300.04	2.69	-52.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010777518	0	29	-2.0	-103.94	291.64	4.38	-99.56
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300010777519	0	35	-1.0	-61.89	302.57	6.68	-55.21
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010777520	0	35	-1.0	-57.30	323.59	6.13	-51.17
O=C([O-])C1CCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010777521	0	32	-1.0	-50.84	285.44	4.47	-46.37
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300010777522	0	39	-1.0	-51.15	319.99	4.38	-46.77
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777523	0	47	-1.0	-63.02	363.88	8.00	-55.02
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010777524	0	35	-1.0	-48.34	319.99	5.92	-42.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010777525	0	39	-1.0	-57.42	329.37	5.66	-51.76
O=C([O-])C1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010777526	0	33	-1.0	-64.68	297.12	5.81	-58.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010777527	0	40	-1.0	-64.99	350.25	7.47	-57.52
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777528	0	42	-1.0	-67.83	345.17	3.40	-64.43
COC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010777529	0	38	-1.0	-57.08	311.79	5.68	-51.40
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777530	0	35	-1.0	-42.85	301.14	2.63	-40.22
O=C([O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010777531	0	33	-1.0	-52.19	311.75	6.33	-45.86
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C=C1	REAL300010777532	0	41	-1.0	-51.05	349.46	6.95	-44.10
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010777533	0	38	-1.0	-46.13	337.86	6.65	-39.48
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777534	0	38	-1.0	-49.71	301.19	3.87	-45.84
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300010777535	0	38	-1.0	-57.56	319.87	4.72	-52.84
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010777536	0	34	-1.0	-40.68	299.86	3.87	-36.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010777537	0	32	-1.0	-53.60	300.81	6.08	-47.52
O=C([O-])C1CCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010777538	0	29	-1.0	-42.97	266.73	4.07	-38.90
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010777539	0	29	-1.0	-46.11	280.74	4.16	-41.95
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777540	0	39	-1.0	-62.51	337.57	4.01	-58.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010777541	0	26	-1.0	-44.25	257.35	2.91	-41.34
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010777542	0	32	-1.0	-39.43	300.77	5.45	-33.98
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010777543	0	32	-1.0	-72.73	281.45	5.89	-66.84
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777544	0	40	-1.0	-61.89	333.38	6.08	-55.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010777545	0	40	-1.0	-51.94	319.80	7.19	-44.75
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777546	0	39	-1.0	-60.36	335.60	6.68	-53.68
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010777547	0	35	-1.0	-57.60	317.74	6.02	-51.58
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777548	0	34	-1.0	-57.76	311.70	5.17	-52.59
O=C([O-])C1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010777549	0	36	-1.0	-66.67	309.36	3.31	-63.36
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777550	0	39	-1.0	-56.53	351.58	5.75	-50.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010777551	0	29	-1.0	-45.80	283.55	5.14	-40.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010777552	0	29	-1.0	-48.79	273.31	4.35	-44.44
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010777553	0	32	-1.0	-62.93	291.53	6.04	-56.89
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777554	0	35	-1.0	-49.96	318.05	4.52	-45.44
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010777555	0	36	-1.0	-59.96	307.94	6.73	-53.23
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010777556	0	31	-1.0	-47.09	307.40	4.43	-42.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010777557	0	39	-1.0	-50.44	318.63	4.70	-45.74
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777558	0	38	-1.0	-50.55	313.82	3.98	-46.57
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777559	0	38	-1.0	-64.52	326.34	2.55	-61.97
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777560	0	32	-1.0	-67.76	311.35	1.20	-66.56
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777561	0	38	-1.0	-64.52	326.34	2.55	-61.97
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010777562	0	32	-1.0	-68.28	286.20	5.99	-62.29
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777563	0	41	-1.0	-79.75	349.45	8.48	-71.27
CN(C1CCCCCC1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777564	0	43	-1.0	-62.02	327.38	5.80	-56.22
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010777565	0	29	-1.0	-42.41	276.82	3.41	-39.00
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777566	0	33	-1.0	-57.83	293.89	4.61	-53.22
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010777567	0	43	-1.0	-50.66	346.56	3.07	-47.59
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777568	0	35	-1.0	-51.96	302.01	5.58	-46.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010777569	0	33	-1.0	-50.96	288.09	3.63	-47.33
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010777570	0	44	-1.0	-58.53	351.24	7.64	-50.89
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C12	REAL300010777571	0	40	-1.0	-58.08	315.68	6.58	-51.50
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010777572	0	37	-1.0	-59.23	310.74	5.10	-54.13
CCOCC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777573	0	39	-1.0	-50.52	325.71	4.74	-45.78
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777574	0	38	-1.0	-64.49	339.83	6.65	-57.84
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010777575	0	32	-1.0	-52.47	312.27	6.20	-46.27
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777576	0	39	-1.0	-59.63	338.47	5.84	-53.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010777577	0	42	-1.0	-56.70	341.75	5.97	-50.73
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010777578	0	32	-1.0	-51.02	308.20	6.33	-44.69
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010777579	0	40	-1.0	-58.15	344.04	7.84	-50.31
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777580	0	41	-1.0	-54.29	340.94	6.82	-47.47
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(C)=C1Br	REAL300010777581	0	35	-1.0	-56.57	313.05	6.74	-49.83
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010777582	0	34	-1.0	-52.00	306.39	5.36	-46.64
O=C([O-])C1CCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010777583	0	28	-1.0	-64.74	280.25	3.20	-61.54
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010777584	0	33	-1.0	-62.85	295.17	4.45	-58.40
O=C([O-])C1CCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010777585	0	35	-1.0	-60.50	334.27	5.95	-54.55
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010777586	0	28	-1.0	-41.93	266.53	2.57	-39.36
N#CC1(OCCS(=O)(=O)N2CCCC2C(=O)[O-])CCOCC1	REAL300010777587	0	41	-1.0	-62.89	340.34	2.69	-60.20
CCN1N=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1Cl	REAL300010777588	0	32	-1.0	-49.37	294.50	3.06	-46.31
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010777589	0	33	-1.0	-49.06	302.04	5.91	-43.15
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCCC1C(=O)[O-])=C2	REAL300010777590	0	35	-1.0	-48.57	338.12	5.42	-43.15
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010777591	0	29	-1.0	-45.05	276.71	4.92	-40.13
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010777592	0	31	-1.0	-42.74	294.91	3.46	-39.28
O=C([O-])C1CCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010777593	0	34	-1.0	-52.66	305.01	5.17	-47.49
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010777594	0	34	-1.0	-70.16	304.77	5.18	-64.98
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010777595	0	31	-1.0	-42.74	294.91	3.46	-39.28
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010777596	0	32	-1.0	-52.47	312.27	6.20	-46.27
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010777597	0	38	-1.0	-66.92	310.50	7.05	-59.87
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777598	0	33	-1.0	-54.27	298.58	5.02	-49.25
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010777599	0	36	-1.0	-62.05	313.30	5.36	-56.69
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777600	0	43	-1.0	-59.63	359.95	6.50	-53.13
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010777601	0	29	-1.0	-60.23	281.05	5.18	-55.05
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])O1	REAL300010777602	0	35	-1.0	-67.84	320.19	0.88	-66.96
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010777603	0	39	-1.0	-53.41	330.54	5.49	-47.92
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010777604	0	35	-1.0	-64.39	328.85	2.10	-62.29
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010777605	0	33	-1.0	-58.48	308.56	6.78	-51.70
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010777606	0	33	-1.0	-48.78	305.07	6.02	-42.76
O=C([O-])C1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010777607	0	34	-1.0	-70.68	299.46	-1.10	-71.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010777608	0	31	-1.0	-58.85	286.31	4.38	-54.47
CC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010777609	0	38	-1.0	-49.27	320.69	3.13	-46.14
O=C([O-])C1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010777610	0	46	-1.0	-65.17	333.08	7.80	-57.37
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777611	0	37	-1.0	-71.63	326.69	1.77	-69.86
CC1(C)CCC(CS(=O)(=O)N2CCCC2C(=O)[O-])OC1	REAL300010777612	0	42	-1.0	-51.27	327.69	4.36	-46.91
CCOC(=O)C1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C2C=CC=CN21	REAL300010777613	0	41	-1.0	-50.67	350.66	5.66	-45.01
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010777614	0	33	-1.0	-64.48	303.02	4.09	-60.39
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2C=C1	REAL300010777615	0	38	-1.0	-70.25	338.83	6.59	-63.66
O=C([O-])C1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010777616	0	39	-1.0	-66.01	336.97	7.91	-58.10
O=C([O-])C1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010777617	0	38	-1.0	-72.36	309.93	2.44	-69.92
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777618	0	38	-1.0	-66.20	327.99	5.92	-60.28
O=C([O-])C1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010777619	0	42	-1.0	-48.16	320.57	6.23	-41.93
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010777620	0	33	-1.0	-61.42	301.22	6.02	-55.40
COC(=O)C1CCCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777621	0	40	-1.0	-67.04	317.39	4.81	-62.23
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300010777622	0	51	-1.0	-50.28	378.53	8.23	-42.05
N#CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777623	0	32	-1.0	-37.37	294.23	4.86	-32.51
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777624	0	40	-1.0	-60.87	332.75	5.96	-54.91
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=NN1	REAL300010777625	0	35	-1.0	-51.30	313.28	1.95	-49.35
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777625	1	34	-2.0	-107.89	314.04	2.38	-105.51
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=N[N-]1	REAL300010777625	1	34	-2.0	-107.87	314.14	2.38	-105.49
COC1=CSC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300010777626	0	34	-1.0	-47.78	301.96	2.94	-44.84
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777627	0	32	-1.0	-56.97	311.89	3.98	-52.99
O=C([O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010777628	0	41	-1.0	-59.15	315.82	5.45	-53.70
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777629	0	40	-1.0	-58.74	333.03	6.72	-52.02
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777630	0	33	-1.0	-47.76	297.56	5.24	-42.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010777631	0	33	-1.0	-57.67	301.88	5.52	-52.15
COC1=CC(F)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300010777632	0	33	-1.0	-48.09	284.88	3.59	-44.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010777633	0	33	-1.0	-49.62	291.73	3.63	-45.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777634	0	35	-1.0	-51.34	294.23	3.96	-47.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010777635	0	32	-1.0	-70.36	289.63	5.84	-64.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010777636	0	38	-1.0	-57.63	334.23	5.47	-52.16
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010777637	0	26	-1.0	-43.09	278.13	4.30	-38.79
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777638	0	42	-1.0	-61.32	348.62	7.38	-53.94
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010777639	0	46	-1.0	-46.78	367.29	5.94	-40.84
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010777640	0	32	-1.0	-58.50	313.65	6.11	-52.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010777641	0	34	-1.0	-61.63	308.06	5.67	-55.96
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777642	0	37	-1.0	-69.60	313.24	4.26	-65.34
O=C([O-])C1CCCN1S(=O)(=O)C1=C(I)C=CS1	REAL300010777643	0	26	-1.0	-45.55	267.63	4.37	-41.18
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010777644	0	40	-1.0	-47.68	337.52	6.89	-40.79
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777645	0	35	-1.0	-75.05	297.41	6.53	-68.52
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777646	0	32	-1.0	-70.08	286.67	2.31	-67.77
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010777647	0	34	-1.0	-63.44	310.24	3.56	-59.88
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010777648	0	30	-1.0	-47.46	296.80	3.10	-44.36
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777649	0	31	-1.0	-48.30	276.86	3.30	-45.00
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777650	0	40	-1.0	-54.70	332.12	5.66	-49.04
CCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CC2)=N1	REAL300010777651	0	39	-1.0	-62.76	328.03	5.23	-57.53
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300010777652	0	33	-1.0	-58.91	286.38	3.30	-55.61
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010777653	0	35	-1.0	-47.87	311.43	6.82	-41.05
CC(=O)OC1CCN(S(=O)(=O)N2CCCC2C(=O)[O-])C1	REAL300010777654	0	37	-1.0	-60.83	315.83	4.04	-56.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010777655	0	39	-1.0	-58.19	346.28	8.93	-49.26
COC(=O)C1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C(Cl)S1	REAL300010777656	0	32	-1.0	-68.50	315.29	5.37	-63.13
CCC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300010777657	0	35	-1.0	-45.06	307.87	5.92	-39.14
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777658	0	42	-1.0	-58.65	344.46	5.81	-52.84
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777659	0	43	-1.0	-65.74	357.78	4.99	-60.75
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010777660	0	35	-1.0	-50.59	307.91	6.81	-43.78
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777661	0	37	-1.0	-47.80	297.30	2.02	-45.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010777662	0	35	-1.0	-58.65	320.19	4.82	-53.83
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777663	0	43	-1.0	-75.07	367.35	5.35	-69.72
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010777664	0	44	-1.0	-58.72	357.26	5.37	-53.35
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777665	0	32	-1.0	-58.91	295.75	2.38	-56.53
COC1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300010777666	0	35	-1.0	-48.51	296.15	1.35	-47.16
CC(C)CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300010777667	0	38	-1.0	-57.05	318.29	5.16	-51.89
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777668	0	38	-1.0	-50.75	316.21	3.88	-46.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010777669	0	28	-1.0	-41.12	280.26	2.20	-38.92
O=C([O-])C1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010777670	0	39	-1.0	-59.88	319.31	2.84	-57.04
COCC1=CC(CS(=O)(=O)N2CCCC2C(=O)[O-])=NO1	REAL300010777671	0	35	-1.0	-66.79	310.55	2.84	-63.95
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010777672	0	32	-1.0	-72.17	305.20	4.45	-67.72
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010777673	0	27	-1.0	-59.26	270.42	2.51	-56.75
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777674	0	33	-1.0	-71.71	305.82	2.74	-68.97
CC1=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C)S1	REAL300010777675	0	35	-1.0	-48.06	289.00	5.29	-42.77
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010777676	0	26	-1.0	-57.52	277.56	4.90	-52.62
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777677	0	33	-1.0	-62.25	302.50	5.11	-57.14
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010777678	0	31	-1.0	-49.84	289.07	3.69	-46.15
COC1=NC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1Cl	REAL300010777679	0	32	-1.0	-45.54	289.57	1.29	-44.25
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777680	0	38	-1.0	-67.94	341.90	3.64	-64.30
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300010777680	1	37	-2.0	-106.67	338.58	2.51	-104.16
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777681	0	36	-1.0	-57.33	314.74	2.10	-55.23
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010777682	0	33	-1.0	-45.02	314.75	6.33	-38.69
O=C([O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010777683	0	34	-1.0	-61.04	314.11	6.66	-54.38
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010777684	0	28	-1.0	-64.06	278.23	3.55	-60.51
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])N=C1	REAL300010777685	0	40	-1.0	-65.43	329.81	5.08	-60.35
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CN=C12	REAL300010777686	0	37	-1.0	-62.20	307.92	5.46	-56.74
COC(=O)C1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300010777687	0	37	-1.0	-48.29	315.60	3.29	-45.00
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777688	0	32	-1.0	-74.01	297.75	6.59	-67.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010777689	0	36	-1.0	-55.23	308.87	5.15	-50.08
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010777690	0	31	-1.0	-64.51	285.61	3.61	-60.90
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=NN1C(C)C	REAL300010777691	0	38	-1.0	-55.74	314.06	3.70	-52.04
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010777692	0	36	-1.0	-46.60	308.70	6.22	-40.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010777693	0	31	-1.0	-43.16	276.23	3.07	-40.09
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=C1NCCC2	REAL300010777694	0	41	-1.0	-65.26	329.70	5.56	-59.70
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300010777695	0	43	-1.0	-58.23	364.19	8.56	-49.67
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010777696	0	36	-1.0	-61.87	316.87	7.23	-54.64
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010777697	0	26	-1.0	-44.87	257.98	3.54	-41.33
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010777698	0	33	-1.0	-58.59	302.57	5.33	-53.26
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777699	0	31	-1.0	-48.43	281.46	3.37	-45.06
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010777700	0	34	-1.0	-65.94	292.13	5.10	-60.84
CC1=CC=C(I)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777701	0	32	-1.0	-61.95	292.30	6.45	-55.50
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777702	0	38	-1.0	-54.10	319.07	5.90	-48.20
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010777703	0	40	-1.0	-60.62	339.52	9.10	-51.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010777704	0	32	-1.0	-68.04	293.20	5.57	-62.47
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010777705	0	28	-1.0	-42.86	265.23	2.85	-40.01
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010777706	0	31	-1.0	-66.74	275.57	3.71	-63.03
O=C([O-])C1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010777707	0	32	-1.0	-58.09	288.01	4.54	-53.55
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777708	0	37	-1.0	-67.87	315.59	0.51	-67.36
CC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300010777709	0	31	-1.0	-45.53	288.25	3.36	-42.17
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010777710	0	28	-1.0	-54.69	284.96	4.09	-50.60
O=C([O-])C1CCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010777711	0	33	-1.0	-72.31	305.30	3.97	-68.34
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010777712	0	33	-1.0	-48.97	300.51	5.92	-43.05
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777713	0	38	-1.0	-59.20	328.93	3.63	-55.57
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010777714	0	36	-1.0	-51.94	299.21	6.02	-45.92
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010777715	0	32	-1.0	-61.85	298.43	5.85	-56.00
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010777716	0	33	-1.0	-54.94	304.68	4.41	-50.53
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(F)F)=C1	REAL300010777717	0	36	-1.0	-49.09	305.12	4.51	-44.58
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(=O)OC	REAL300010777718	0	42	-1.0	-53.06	352.73	5.67	-47.39
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C1	REAL300010777719	0	42	-1.0	-64.42	354.74	7.52	-56.90
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777720	0	35	-1.0	-58.04	318.13	2.87	-55.17
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777721	0	35	-1.0	-66.43	326.18	6.73	-59.70
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777722	0	34	-1.0	-58.26	292.25	3.87	-54.39
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777723	0	35	-1.0	-72.25	303.19	5.98	-66.27
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010777724	0	34	-1.0	-59.43	285.94	5.19	-54.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010777725	0	29	-1.0	-58.34	270.31	5.84	-52.50
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777726	0	35	-1.0	-71.69	302.27	4.01	-67.68
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C=C1	REAL300010777727	0	40	-1.0	-45.52	345.40	5.04	-40.48
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C12	REAL300010777728	0	37	-1.0	-72.50	310.69	6.20	-66.30
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010777729	0	25	-1.0	-55.38	263.69	3.16	-52.22
NC1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777730	0	31	-1.0	-59.62	291.72	3.49	-56.13
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300010777731	0	31	-1.0	-54.79	280.73	3.90	-50.89
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010777732	0	31	-1.0	-71.29	270.35	3.59	-67.70
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C(Cl)S1	REAL300010777733	0	29	-1.0	-56.82	283.64	5.00	-51.82
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010777734	0	31	-1.0	-62.63	285.70	3.69	-58.94
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010777735	0	36	-1.0	-58.37	324.46	5.82	-52.55
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300010777736	0	42	-1.0	-66.89	342.40	6.70	-60.19
O=C([O-])C1CCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010777737	0	33	-2.0	-115.11	303.81	4.77	-110.34
O=C([O-])C1CCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010777737	1	34	-1.0	-48.20	297.57	3.46	-44.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010777738	0	34	-1.0	-47.30	297.13	4.37	-42.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300010777739	0	34	-1.0	-48.36	292.56	4.49	-43.87
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300010777740	0	46	-1.0	-46.98	334.98	6.43	-40.55
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777741	0	40	-1.0	-53.51	319.59	5.15	-48.36
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777742	0	43	-1.0	-48.69	351.31	5.26	-43.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010777743	0	34	-1.0	-48.73	304.26	4.75	-43.98
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777744	0	40	-1.0	-53.43	330.14	4.42	-49.01
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777745	0	46	-1.0	-46.80	351.74	5.98	-40.82
CC(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777746	0	43	-1.0	-46.89	335.64	5.59	-41.30
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777747	0	46	-1.0	-46.98	353.29	6.26	-40.72
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777748	0	45	-1.0	-52.16	371.01	1.66	-50.50
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777749	0	44	-1.0	-52.15	357.62	2.68	-49.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010777750	0	36	-1.0	-46.84	317.70	5.05	-41.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010777751	0	34	-1.0	-48.99	297.86	4.90	-44.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300010777752	0	31	-1.0	-45.93	283.93	3.32	-42.61
CCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777753	0	43	-1.0	-46.90	339.96	5.88	-41.02
COC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777754	0	38	-1.0	-50.33	305.47	3.58	-46.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010777755	0	34	-1.0	-46.07	310.85	4.98	-41.09
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300010777756	0	38	-1.0	-47.78	324.54	3.64	-44.14
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777757	0	45	-1.0	-53.72	361.19	2.43	-51.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010777758	0	34	-1.0	-49.23	295.18	3.93	-45.30
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010777758	1	33	-2.0	-100.18	297.29	4.11	-96.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010777759	0	34	-1.0	-44.82	309.03	4.68	-40.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Cl	REAL300010777760	0	34	-1.0	-48.53	289.22	4.32	-44.21
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C(=O)OC)=C1	REAL300010777761	0	46	-1.0	-51.08	385.09	4.97	-46.11
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777762	0	46	-1.0	-53.91	374.36	5.80	-48.11
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010777763	0	33	-2.0	-111.86	287.73	4.21	-107.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010777763	1	34	-1.0	-51.27	282.51	3.96	-47.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010777764	0	33	-1.0	-47.20	286.29	2.30	-44.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010777765	0	34	-1.0	-47.26	299.40	4.39	-42.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010777766	0	37	-1.0	-47.34	317.24	5.75	-41.59
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300010777767	0	37	-1.0	-45.83	314.92	4.85	-40.98
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1NC(C)=O	REAL300010777768	0	45	-1.0	-55.74	359.04	2.00	-53.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010777769	0	38	-1.0	-46.02	320.64	3.47	-42.55
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1C	REAL300010777770	0	49	-1.0	-47.58	348.26	6.88	-40.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010777771	0	43	-1.0	-48.63	338.26	3.62	-45.01
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010777772	0	39	-1.0	-51.33	320.09	4.89	-46.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)S1	REAL300010777773	0	31	-1.0	-45.97	288.56	3.43	-42.54
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010777774	0	40	-1.0	-45.81	333.30	6.25	-39.56
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777775	0	38	-1.0	-48.22	326.89	4.05	-44.17
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777776	0	52	-1.0	-46.21	378.07	7.66	-38.55
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010777777	0	50	-1.0	-46.62	377.29	7.47	-39.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010777778	0	37	-1.0	-46.31	313.36	4.67	-41.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010777779	0	44	-1.0	-47.56	338.48	6.24	-41.32
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777780	0	42	-1.0	-50.58	335.07	2.73	-47.85
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300010777781	0	42	-1.0	-49.61	334.12	2.87	-46.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010777782	0	44	-1.0	-50.50	371.92	3.26	-47.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010777783	0	41	-1.0	-47.74	320.15	5.57	-42.17
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010777784	0	41	-1.0	-52.23	349.52	1.86	-50.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010777785	0	42	-1.0	-56.15	330.26	6.08	-50.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1F	REAL300010777786	0	34	-1.0	-47.43	289.18	3.88	-43.55
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010777786	1	33	-2.0	-104.06	291.11	4.05	-100.01
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777787	0	44	-1.0	-55.98	347.84	3.39	-52.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010777788	0	31	-1.0	-44.24	300.10	3.91	-40.33
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010777788	1	30	-2.0	-96.62	302.05	4.09	-92.53
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777789	0	49	-1.0	-46.85	379.02	7.17	-39.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010777790	0	40	-1.0	-50.13	317.37	6.16	-43.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010777791	0	44	-1.0	-48.42	349.57	7.08	-41.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010777792	0	37	-1.0	-46.18	327.88	5.32	-40.86
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777793	0	37	-1.0	-46.77	298.61	4.67	-42.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010777794	0	34	-1.0	-45.14	312.56	5.39	-39.75
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010777794	1	33	-2.0	-97.81	319.55	5.76	-92.05
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777795	0	49	-1.0	-46.73	365.97	6.45	-40.28
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010777796	0	37	-1.0	-46.50	310.99	4.75	-41.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010777797	0	34	-1.0	-45.29	294.42	3.85	-41.44
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010777798	0	37	-1.0	-49.32	304.19	4.49	-44.83
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010777799	0	33	-2.0	-97.42	311.70	4.66	-92.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010777799	1	34	-1.0	-45.17	309.66	4.54	-40.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010777800	0	37	-1.0	-47.57	321.42	4.87	-42.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010777801	0	34	-1.0	-45.03	309.63	4.48	-40.55
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010777801	1	33	-2.0	-97.16	311.70	4.65	-92.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010777802	0	34	-1.0	-45.31	295.32	3.95	-41.36
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010777802	1	33	-2.0	-96.43	297.40	4.12	-92.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300010777803	0	35	-1.0	-53.90	292.99	2.50	-51.40
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300010777804	0	37	-1.0	-46.03	302.13	4.36	-41.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010777805	0	37	-1.0	-46.47	318.95	4.73	-41.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010777806	0	39	-1.0	-54.40	317.04	4.37	-50.03
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010777807	0	37	-1.0	-47.53	306.91	5.30	-42.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010777808	0	45	-1.0	-49.94	381.02	7.07	-42.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010777809	0	34	-1.0	-50.09	298.81	4.32	-45.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010777810	0	34	-1.0	-46.10	299.37	4.60	-41.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777811	0	40	-1.0	-48.11	333.62	4.14	-43.97
CC1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777812	0	37	-1.0	-49.45	304.09	4.55	-44.90
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010777813	0	38	-1.0	-48.58	310.35	3.05	-45.53
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010777814	0	37	-1.0	-46.88	302.23	4.37	-42.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010777815	0	34	-1.0	-45.81	301.18	4.31	-41.50
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)C=C1	REAL300010777816	0	49	-1.0	-48.56	393.38	5.83	-42.73
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010777817	0	41	-1.0	-50.77	344.02	3.17	-47.60
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010777818	0	50	-1.0	-49.19	385.16	6.97	-42.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010777819	0	38	-1.0	-54.79	320.51	4.92	-49.87
CC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010777820	0	37	-1.0	-48.80	314.58	5.45	-43.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010777821	0	37	-1.0	-48.74	331.03	5.47	-43.27
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010777822	0	44	-1.0	-49.70	345.21	5.42	-44.28
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(N)=O	REAL300010777823	0	41	-1.0	-49.49	323.45	1.08	-48.41
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(N)=O	REAL300010777824	0	42	-1.0	-52.73	336.48	1.05	-51.68
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777825	0	39	-1.0	-46.79	320.85	5.30	-41.49
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010777826	0	41	-1.0	-57.83	338.93	2.69	-55.14
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777827	0	39	-1.0	-49.89	314.11	5.01	-44.88
CN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010777828	0	34	-1.0	-51.42	294.08	3.78	-47.64
CN1C=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1Cl	REAL300010777828	1	33	-2.0	-113.03	297.69	3.44	-109.59
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777829	0	37	-1.0	-46.40	303.24	4.40	-42.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777830	0	40	-1.0	-48.60	346.89	4.82	-43.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010777831	0	43	-1.0	-58.77	360.60	1.86	-56.91
CC(=O)NC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300010777832	0	41	-1.0	-53.88	335.18	2.66	-51.22
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010777833	0	48	-1.0	-59.07	364.00	5.05	-54.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O	REAL300010777834	0	39	-1.0	-63.86	324.87	-0.14	-64.00
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1C	REAL300010777835	0	44	-1.0	-47.83	337.90	4.53	-43.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010777836	0	34	-1.0	-46.15	298.88	4.56	-41.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010777837	0	45	-1.0	-49.37	357.93	3.18	-46.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010777838	0	37	-1.0	-48.53	320.41	5.12	-43.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010777839	0	34	-1.0	-45.42	310.30	4.73	-40.69
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777840	0	48	-1.0	-53.51	387.09	2.55	-50.96
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777841	0	42	-1.0	-48.31	335.30	6.14	-42.17
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777842	0	46	-1.0	-46.84	356.62	6.35	-40.49
COCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777843	0	44	-1.0	-47.74	352.13	4.17	-43.57
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777844	0	37	-1.0	-46.37	308.93	5.12	-41.25
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777845	0	50	-1.0	-47.30	386.56	6.00	-41.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010777846	0	48	-1.0	-47.31	370.74	5.91	-41.40
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777847	0	47	-1.0	-47.41	367.60	5.39	-42.02
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777848	0	44	-1.0	-47.46	347.50	4.70	-42.76
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010777849	0	38	-1.0	-47.83	320.14	3.53	-44.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010777850	0	38	-1.0	-48.37	329.45	3.77	-44.60
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010777851	0	41	-1.0	-47.93	324.21	3.72	-44.21
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OC(C)C	REAL300010777852	0	47	-1.0	-47.61	364.63	5.27	-42.34
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300010777853	0	41	-1.0	-47.70	322.09	3.94	-43.76
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777854	0	45	-1.0	-49.70	360.39	3.16	-46.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300010777855	0	37	-1.0	-51.18	304.42	4.53	-46.65
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777856	0	45	-1.0	-55.93	366.60	3.42	-52.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010777857	0	49	-1.0	-52.23	380.78	3.15	-49.08
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=C1	REAL300010777858	0	37	-1.0	-47.91	313.89	5.16	-42.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl	REAL300010777859	0	40	-1.0	-54.39	349.85	1.85	-52.54
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777860	0	40	-1.0	-50.71	336.77	5.74	-44.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010777861	0	39	-1.0	-50.29	315.17	4.04	-46.25
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777862	0	38	-1.0	-47.82	313.20	3.90	-43.92
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010777862	1	37	-2.0	-106.30	316.86	4.36	-101.94
CC1=CC(C#N)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777863	0	38	-1.0	-47.62	313.00	4.99	-42.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010777864	0	35	-1.0	-49.44	303.45	4.26	-45.18
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N	REAL300010777865	0	38	-1.0	-50.55	332.87	5.03	-45.52
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OC	REAL300010777866	0	44	-1.0	-51.28	356.27	4.36	-46.92
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010777867	0	43	-1.0	-47.95	345.93	4.86	-43.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010777868	0	43	-1.0	-57.20	344.19	3.73	-53.47
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010777869	0	43	-1.0	-51.23	348.84	4.83	-46.40
CCN1N=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300010777870	0	43	-1.0	-48.64	331.79	3.47	-45.17
CC(C)N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010777871	0	40	-1.0	-49.65	319.12	2.71	-46.94
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777872	0	43	-1.0	-51.97	340.90	5.47	-46.50
CC(C)N1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777873	0	40	-1.0	-51.74	321.80	4.60	-47.14
CC(C)C1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1	REAL300010777874	0	40	-1.0	-51.92	319.73	2.57	-49.35
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777875	0	46	-1.0	-47.01	335.75	6.76	-40.25
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777876	0	42	-1.0	-58.58	341.00	3.07	-55.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010777877	0	41	-1.0	-53.50	339.31	4.82	-48.68
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300010777878	0	40	-1.0	-52.27	344.94	4.60	-47.67
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300010777879	0	38	-1.0	-49.66	333.43	4.18	-45.48
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010777880	0	44	-1.0	-48.00	369.52	5.71	-42.29
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(Br)S1	REAL300010777881	0	34	-1.0	-44.86	305.83	4.23	-40.63
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1	REAL300010777882	0	38	-1.0	-53.26	317.53	1.95	-51.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010777883	0	35	-1.0	-47.68	310.88	4.48	-43.20
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300010777884	0	42	-1.0	-54.86	322.91	6.47	-48.39
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777885	0	40	-1.0	-49.75	343.88	4.99	-44.76
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777886	0	43	-1.0	-54.49	352.92	2.13	-52.36
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010777887	0	35	-1.0	-48.85	310.88	4.48	-44.37
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777888	0	50	-1.0	-51.59	387.76	5.40	-46.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010777889	0	45	-1.0	-56.34	363.56	3.63	-52.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010777890	0	46	-1.0	-52.22	384.44	1.50	-50.72
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300010777891	0	37	-1.0	-47.95	315.83	2.76	-45.19
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300010777891	1	36	-2.0	-99.74	318.75	2.72	-97.02
COC(=O)C1=C(C)OC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777892	0	40	-1.0	-55.90	335.14	3.44	-52.46
CC1=NC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010777893	0	36	-1.0	-47.43	300.93	2.29	-45.14
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010777894	0	35	-2.0	-117.39	305.20	5.60	-111.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010777894	1	36	-1.0	-56.06	295.66	5.12	-50.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010777895	0	37	-1.0	-50.62	333.05	5.57	-45.05
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)N1	REAL300010777896	0	47	-1.0	-49.60	369.40	4.28	-45.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010777897	0	34	-1.0	-49.57	296.89	4.64	-44.93
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010777897	1	33	-2.0	-107.82	298.84	4.88	-102.94
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S2)=CS1	REAL300010777898	0	40	-1.0	-48.81	353.56	4.16	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010777899	0	54	-1.0	-47.32	409.98	7.28	-40.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010777900	0	44	-1.0	-53.83	373.12	3.33	-50.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(I)=C1	REAL300010777901	0	34	-1.0	-47.13	303.61	4.85	-42.28
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777902	0	43	-1.0	-50.83	346.98	5.25	-45.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010777903	0	36	-1.0	-51.52	309.73	5.62	-45.90
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300010777904	0	42	-1.0	-49.19	341.39	3.08	-46.11
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300010777905	0	45	-1.0	-48.82	350.92	3.80	-45.02
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010777906	0	35	-2.0	-104.14	325.75	6.60	-97.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010777906	1	36	-1.0	-49.13	320.91	6.38	-42.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010777907	0	37	-1.0	-51.93	313.64	4.82	-47.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010777908	0	35	-1.0	-50.76	300.56	4.10	-46.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010777909	0	35	-1.0	-50.43	310.88	4.55	-45.88
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300010777910	0	37	-1.0	-46.49	315.01	4.84	-41.65
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777911	0	37	-1.0	-46.97	296.78	4.52	-42.45
COC(=O)CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010777912	0	40	-1.0	-55.51	333.65	2.32	-53.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010777913	0	40	-1.0	-47.28	331.27	6.49	-40.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010777914	0	39	-1.0	-48.03	328.75	5.90	-42.13
CC1=C(Br)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777915	0	34	-1.0	-45.18	307.31	3.93	-41.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010777916	0	38	-1.0	-53.20	317.66	4.84	-48.36
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(F)=C1F	REAL300010777917	0	40	-1.0	-48.54	341.00	4.40	-44.14
CC1=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C2C=C1	REAL300010777918	0	42	-1.0	-54.68	337.83	4.95	-49.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010777919	0	45	-1.0	-48.70	351.43	2.09	-46.61
CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Br	REAL300010777920	0	37	-1.0	-48.54	311.15	5.11	-43.43
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777921	0	40	-1.0	-53.56	334.88	4.94	-48.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010777922	0	42	-1.0	-49.48	332.65	1.41	-48.07
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010777923	0	40	-1.0	-49.39	330.92	4.41	-44.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777924	0	40	-1.0	-46.37	330.39	5.49	-40.88
COCCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010777925	0	41	-1.0	-49.92	334.36	1.27	-48.65
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010777926	0	47	-1.0	-49.35	366.69	6.33	-43.02
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777927	0	44	-1.0	-49.67	348.87	5.04	-44.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010777928	0	39	-1.0	-58.99	323.77	3.83	-55.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010777929	0	41	-1.0	-50.86	334.99	4.73	-46.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010777930	0	36	-1.0	-49.64	318.57	4.78	-44.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010777931	0	35	-1.0	-55.27	300.48	4.12	-51.15
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777932	0	48	-1.0	-49.64	382.24	4.12	-45.52
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777933	0	50	-1.0	-47.35	390.49	6.26	-41.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010777934	0	36	-1.0	-54.82	302.69	5.65	-49.17
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010777934	1	35	-2.0	-113.68	312.91	6.13	-107.55
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300010777935	0	40	-1.0	-49.46	333.51	4.32	-45.14
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(Cl)C=C1Cl	REAL300010777936	0	40	-1.0	-46.34	356.32	5.34	-41.00
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777937	0	44	-1.0	-52.46	360.26	4.10	-48.36
COC(=O)C1=CSC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777938	0	37	-1.0	-50.44	323.01	3.39	-47.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777939	0	46	-1.0	-50.12	363.21	5.73	-44.39
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C	REAL300010777940	0	43	-1.0	-49.16	345.36	4.83	-44.33
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777941	0	40	-1.0	-50.61	337.55	4.46	-46.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010777942	0	44	-1.0	-47.06	331.32	6.37	-40.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010777943	0	33	-1.0	-45.71	290.73	2.47	-43.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010777944	0	38	-1.0	-46.07	331.03	5.14	-40.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010777945	0	34	-1.0	-45.78	301.18	4.31	-41.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010777946	0	41	-1.0	-59.79	339.16	1.52	-58.27
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777947	0	37	-1.0	-46.43	309.61	5.02	-41.41
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300010777948	0	38	-1.0	-46.92	324.56	3.64	-43.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010777949	0	45	-1.0	-47.87	352.09	4.92	-42.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300010777950	0	42	-1.0	-51.35	352.60	0.37	-50.98
CCC(=O)NCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OC	REAL300010777951	0	51	-1.0	-53.75	405.56	2.84	-50.91
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777952	0	38	-1.0	-48.24	321.95	3.79	-44.45
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777953	0	43	-1.0	-56.49	356.92	2.05	-54.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010777954	0	36	-1.0	-46.75	322.93	3.58	-43.17
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010777955	0	39	-1.0	-52.85	329.55	4.73	-48.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C#N)=C1	REAL300010777956	0	35	-1.0	-47.20	317.66	4.65	-42.55
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300010777957	0	41	-1.0	-47.52	345.94	4.54	-42.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010777958	0	39	-1.0	-48.86	325.10	-0.88	-49.74
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2S1	REAL300010777959	0	48	-1.0	-48.33	388.53	5.61	-42.72
COC(=O)CC1(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300010777960	0	43	-1.0	-50.11	340.64	4.32	-45.79
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777961	0	39	-1.0	-51.21	332.35	3.77	-47.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300010777962	0	39	-1.0	-47.87	310.61	2.96	-44.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010777963	0	42	-1.0	-55.14	339.01	5.04	-50.10
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010777964	0	44	-1.0	-51.78	355.64	4.58	-47.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010777965	0	39	-1.0	-53.95	323.02	3.81	-50.14
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300010777966	0	44	-1.0	-47.34	343.55	4.83	-42.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCS(C)(=O)=O	REAL300010777967	0	36	-1.0	-58.75	303.37	-0.92	-59.67
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777968	0	43	-1.0	-54.04	347.51	5.28	-48.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010777969	0	38	-1.0	-50.13	315.22	3.86	-46.27
CSC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777970	0	38	-1.0	-47.56	314.84	4.70	-42.86
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777971	0	46	-1.0	-48.51	372.81	6.06	-42.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010777972	0	40	-1.0	-52.55	338.71	5.56	-46.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010777973	0	33	-1.0	-47.82	301.50	2.92	-44.90
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010777973	1	32	-2.0	-97.63	304.36	3.07	-94.56
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010777974	0	40	-1.0	-50.37	319.20	3.33	-47.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010777975	0	39	-1.0	-49.57	311.66	4.16	-45.41
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777976	0	37	-1.0	-46.24	313.50	5.22	-41.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010777977	0	42	-1.0	-50.67	335.67	2.93	-47.74
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777978	0	50	-1.0	-52.71	389.37	4.57	-48.14
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OCC	REAL300010777979	0	48	-1.0	-49.38	377.09	4.72	-44.66
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(=O)N(C)C1=O	REAL300010777980	0	40	-1.0	-55.05	323.83	2.28	-52.77
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(=O)N(C)C1=O	REAL300010777980	1	39	-2.0	-109.13	325.79	2.92	-106.21
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777981	0	40	-1.0	-49.26	310.38	2.54	-46.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010777982	0	39	-1.0	-53.41	329.75	-1.38	-54.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010777983	0	45	-1.0	-53.62	350.99	4.73	-48.89
CC(=O)N1CCCC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010777984	0	48	-1.0	-55.76	368.72	5.31	-50.45
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300010777985	0	42	-1.0	-48.08	336.76	5.76	-42.32
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777986	0	40	-1.0	-48.96	329.45	4.34	-44.62
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010777987	0	45	-1.0	-56.05	356.12	4.78	-51.27
CNC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010777988	0	41	-1.0	-52.55	331.11	1.95	-50.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010777989	0	38	-1.0	-52.59	309.89	0.44	-52.15
CC(=O)N1C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2CC1C	REAL300010777990	0	48	-1.0	-55.24	369.36	5.32	-49.92
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CS1	REAL300010777991	0	37	-1.0	-52.06	314.72	4.10	-47.96
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010777992	0	37	-1.0	-47.62	321.98	3.36	-44.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1	REAL300010777993	0	38	-1.0	-48.66	331.32	4.86	-43.80
CCOC(=O)C1=CNN=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010777994	0	40	-1.0	-56.66	330.42	2.38	-54.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010777994	1	39	-2.0	-118.87	333.34	2.40	-116.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010777995	0	40	-1.0	-54.35	331.22	0.67	-53.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010777996	0	40	-1.0	-50.30	326.17	0.89	-49.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010777997	0	40	-1.0	-49.38	340.15	1.60	-47.78
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2N=C1	REAL300010777998	0	42	-1.0	-54.27	338.51	5.06	-49.21
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010777999	0	40	-1.0	-54.21	322.42	4.42	-49.79
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778000	0	38	-1.0	-47.64	321.94	4.06	-43.58
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1F	REAL300010778259	0	41	-1.0	-48.76	326.62	3.94	-44.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010778260	0	41	-1.0	-52.20	339.01	4.22	-47.98
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778261	0	49	-1.0	-48.37	370.30	4.53	-43.84
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778262	0	42	-1.0	-50.13	347.71	5.86	-44.27
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778263	0	42	-1.0	-48.61	336.41	5.77	-42.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010778264	0	39	-1.0	-48.90	334.66	4.25	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010778265	0	31	-1.0	-45.88	280.67	2.66	-43.22
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010778265	1	30	-2.0	-99.35	283.59	2.66	-96.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300010778266	0	44	-1.0	-53.93	331.23	4.73	-49.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300010778267	0	46	-1.0	-49.89	325.67	5.32	-44.57
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778268	0	38	-1.0	-46.80	325.42	3.60	-43.20
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300010778269	0	44	-1.0	-51.89	357.32	4.68	-47.21
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010778270	0	47	-1.0	-56.54	386.96	4.88	-51.66
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C12	REAL300010778271	0	41	-1.0	-49.86	335.84	1.28	-48.58
CCC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778272	0	36	-1.0	-47.35	305.01	2.34	-45.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010778273	0	46	-1.0	-50.67	359.04	5.08	-45.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010778274	0	34	-1.0	-49.80	293.01	4.52	-45.28
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010778274	1	33	-2.0	-108.55	295.26	4.73	-103.82
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Cl)=N1	REAL300010778275	0	36	-1.0	-49.77	306.27	3.10	-46.67
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778276	0	39	-1.0	-49.32	326.01	3.93	-45.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010778277	0	41	-1.0	-50.72	342.24	4.95	-45.77
CSC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778278	0	38	-1.0	-47.36	329.85	5.15	-42.21
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778279	0	36	-1.0	-48.41	313.37	3.98	-44.43
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778280	0	44	-1.0	-59.96	358.35	0.41	-59.55
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1Cl	REAL300010778281	0	37	-1.0	-47.28	316.80	1.69	-45.59
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778282	0	43	-1.0	-51.61	351.30	4.62	-46.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010778283	0	49	-1.0	-50.83	387.93	4.09	-46.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010778284	0	33	-1.0	-49.39	295.34	3.48	-45.91
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778285	0	52	0.0	-76.51	393.99	4.70	-71.81
CCC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778286	0	43	-1.0	-49.10	342.01	5.94	-43.16
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778287	0	40	-1.0	-50.20	325.84	5.21	-44.99
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778288	0	37	-1.0	-45.57	313.91	5.25	-40.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010778289	0	38	-1.0	-55.42	314.88	3.76	-51.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010778290	0	34	-1.0	-47.13	303.96	4.51	-42.62
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778291	0	42	-1.0	-53.21	329.32	4.12	-49.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010778292	0	43	-1.0	-48.07	334.82	5.01	-43.06
CC1=CC=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778293	0	37	-1.0	-48.82	294.47	4.73	-44.09
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778294	0	48	-1.0	-50.69	398.98	4.85	-45.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300010778295	0	38	-1.0	-51.91	302.46	2.94	-48.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010778296	0	35	-1.0	-48.66	309.94	4.72	-43.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010778297	0	37	-1.0	-53.21	318.58	2.71	-50.50
COC(=O)CCCCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778298	0	45	-1.0	-56.26	359.70	4.67	-51.59
CN1N=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C21	REAL300010778299	0	39	-1.0	-49.73	318.99	2.70	-47.03
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778300	0	42	-1.0	-51.11	341.43	1.87	-49.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010778302	0	37	-1.0	-45.21	330.88	5.17	-40.04
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010778303	0	40	-1.0	-48.19	338.86	4.47	-43.72
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010778304	0	44	-1.0	-49.88	366.59	3.08	-46.80
COC1=CC=C(CCS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778305	0	44	-1.0	-52.10	350.65	4.62	-47.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010778306	0	37	-1.0	-51.43	312.22	2.44	-48.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010778307	0	45	-1.0	-50.69	356.51	5.11	-45.58
CC1=CC=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C12	REAL300010778308	0	42	-1.0	-54.48	335.05	4.96	-49.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010778309	0	37	-1.0	-49.20	308.02	4.62	-44.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010778310	0	37	-1.0	-47.15	321.51	4.82	-42.33
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778311	0	37	-1.0	-46.01	318.13	4.94	-41.07
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778312	0	38	-1.0	-49.80	312.18	4.84	-44.96
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778313	0	45	-1.0	-58.54	355.50	3.61	-54.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010778314	0	46	-1.0	-52.80	366.58	3.68	-49.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010778315	0	42	-1.0	-48.69	343.84	4.83	-43.86
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778316	0	42	-1.0	-48.53	327.35	4.15	-44.38
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(OC)=C1	REAL300010778317	0	44	-1.0	-50.27	359.93	4.22	-46.05
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=CS1	REAL300010778318	0	40	-1.0	-52.17	328.68	4.87	-47.30
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300010778319	0	38	-1.0	-47.65	310.37	3.05	-44.60
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778320	0	45	-1.0	-51.50	366.24	3.77	-47.73
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778321	0	48	-1.0	-51.32	392.82	4.93	-46.39
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778322	0	43	-1.0	-47.20	329.76	5.79	-41.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010778323	0	48	-1.0	-48.61	391.59	7.06	-41.55
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778324	0	42	-1.0	-51.45	348.24	5.90	-45.55
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778325	0	46	0.0	-75.79	353.83	5.57	-70.22
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778326	0	42	-1.0	-48.58	328.05	4.08	-44.50
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2O1	REAL300010778327	0	49	-1.0	-49.04	398.44	6.36	-42.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300010778328	0	37	-1.0	-47.98	310.84	4.37	-43.61
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778329	0	46	-1.0	-50.68	368.83	6.18	-44.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010778330	0	34	-1.0	-47.35	310.87	4.83	-42.52
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010778330	1	33	-2.0	-97.61	314.37	5.06	-92.55
CC1=C(Cl)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778331	0	34	-1.0	-45.15	303.08	3.83	-41.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010778332	0	40	-1.0	-48.92	320.57	4.16	-44.76
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010778333	0	38	-1.0	-49.69	312.15	3.17	-46.52
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010778334	0	42	-1.0	-54.20	329.97	6.86	-47.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010778335	0	40	-1.0	-48.68	336.43	5.46	-43.22
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010778336	0	44	-1.0	-45.17	362.54	6.56	-38.61
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778337	0	37	-1.0	-44.92	318.13	5.17	-39.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010778338	0	39	-1.0	-50.10	315.76	4.03	-46.07
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010778339	0	40	-1.0	-51.03	325.85	5.21	-45.82
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010778340	0	42	-1.0	-49.01	335.71	5.72	-43.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010778341	0	34	-1.0	-48.54	307.25	4.90	-43.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010778342	0	33	-1.0	-45.51	293.68	2.39	-43.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010778343	0	34	-1.0	-45.50	310.30	4.73	-40.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010778344	0	45	-1.0	-49.87	371.11	3.41	-46.46
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010778345	0	33	-2.0	-101.58	300.28	4.34	-97.24
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778346	0	44	-1.0	-49.91	337.75	5.60	-44.31
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778347	0	37	-1.0	-47.04	302.60	0.27	-46.77
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C#N	REAL300010778348	0	38	-1.0	-47.73	314.64	4.56	-43.17
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778349	0	40	-1.0	-50.07	333.49	4.34	-45.73
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778350	0	38	-1.0	-48.34	322.33	3.95	-44.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010778351	0	35	-1.0	-49.58	302.24	2.54	-47.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010778352	0	47	-1.0	-52.31	364.64	7.12	-45.19
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=NO1	REAL300010778353	0	45	-1.0	-53.30	357.82	4.55	-48.75
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C12	REAL300010778354	0	48	-1.0	-48.50	369.93	5.90	-42.60
COC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778355	0	41	-1.0	-48.41	321.71	3.90	-44.51
COC(=O)C1=CN=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778356	0	39	-1.0	-49.28	325.48	2.43	-46.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010778357	0	35	-1.0	-47.54	315.17	4.57	-42.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010778358	0	36	-1.0	-45.05	329.82	5.35	-39.70
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010778358	1	35	-2.0	-93.66	333.00	5.55	-88.11
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778359	0	41	-1.0	-47.25	337.18	4.39	-42.86
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778360	0	40	-1.0	-45.99	351.49	4.42	-41.57
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778361	0	41	-1.0	-48.46	323.82	3.45	-45.01
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300010778362	0	42	-1.0	-48.29	348.16	3.58	-44.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010778363	0	38	-1.0	-48.81	319.65	3.29	-45.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010778364	0	37	-1.0	-46.16	319.83	4.72	-41.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778365	0	45	-1.0	-52.89	366.21	0.61	-52.28
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2S1	REAL300010778366	0	46	-1.0	-49.68	389.34	6.72	-42.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010778367	0	40	-1.0	-53.09	336.09	3.52	-49.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010778368	0	39	-1.0	-57.01	332.34	-0.74	-57.75
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010778369	0	40	-1.0	-50.42	337.42	4.54	-45.88
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778370	0	42	-1.0	-53.07	352.15	5.60	-47.47
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=C1	REAL300010778371	0	38	-1.0	-48.32	322.43	3.84	-44.48
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])OCO2	REAL300010778372	0	40	-1.0	-47.66	317.13	3.16	-44.50
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778373	0	40	-1.0	-52.11	327.37	4.99	-47.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010778374	0	34	-1.0	-46.19	306.30	4.88	-41.31
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778375	0	40	-1.0	-44.94	309.05	5.30	-39.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010778376	0	34	-1.0	-45.94	309.21	5.01	-40.93
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])OCC(=O)N2	REAL300010778377	0	44	-1.0	-51.29	355.93	0.75	-50.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)S1	REAL300010778378	0	32	-1.0	-47.16	286.62	3.15	-44.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010778379	0	36	-1.0	-45.54	323.31	4.91	-40.63
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010778379	1	35	-2.0	-92.91	325.37	5.04	-87.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010778380	0	34	-1.0	-45.18	304.22	4.95	-40.23
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010778380	1	33	-2.0	-96.91	309.23	5.33	-91.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010778381	0	35	-1.0	-52.97	301.82	2.11	-50.86
COC1=CN=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778382	0	37	-1.0	-47.98	298.99	1.14	-46.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010778383	0	34	-1.0	-49.91	303.22	4.41	-45.50
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300010778384	0	44	-1.0	-50.86	356.78	4.39	-46.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010778385	0	34	-1.0	-45.96	309.69	5.05	-40.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010778386	0	37	-1.0	-51.69	316.38	5.05	-46.64
CC(=O)NC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778387	0	37	-1.0	-55.45	319.10	1.10	-54.35
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778387	1	36	-2.0	-92.21	315.75	-0.01	-92.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010778388	0	37	-1.0	-51.64	320.95	5.15	-46.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010778389	0	38	-1.0	-52.27	325.90	0.96	-51.31
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778390	0	43	-1.0	-53.46	341.46	6.07	-47.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010778391	0	38	-1.0	-52.06	330.46	1.07	-50.99
CCOC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778392	0	41	-1.0	-49.22	327.19	3.97	-45.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010778393	0	45	-1.0	-51.79	354.85	5.03	-46.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010778394	0	38	-1.0	-48.54	332.06	4.84	-43.70
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778395	0	41	-1.0	-50.15	346.69	4.46	-45.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010778396	0	37	-1.0	-50.64	303.61	2.40	-48.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010778397	0	35	-1.0	-53.85	314.26	4.58	-49.27
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778398	0	40	-1.0	-45.83	331.36	5.63	-40.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010778399	0	40	-1.0	-52.10	337.27	5.31	-46.79
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778400	0	44	-1.0	-56.29	366.29	0.95	-55.34
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010778401	0	33	-2.0	-105.22	301.55	4.79	-100.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010778401	1	34	-1.0	-48.96	296.61	4.50	-44.46
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2CC1	REAL300010778402	0	51	-1.0	-54.36	388.98	5.73	-48.63
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010778403	0	43	-1.0	-49.94	359.61	5.14	-44.80
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300010778404	0	44	-1.0	-48.82	369.68	5.34	-43.48
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778405	0	43	-1.0	-47.69	353.54	6.54	-41.15
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778406	0	43	-1.0	-47.53	349.36	6.25	-41.28
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778407	0	44	-1.0	-55.19	355.59	2.78	-52.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010778408	0	34	-1.0	-47.19	299.51	4.34	-42.85
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010778408	1	33	-2.0	-104.09	301.44	4.51	-99.58
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010778409	0	43	-1.0	-46.90	371.78	5.84	-41.06
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010778409	1	42	-2.0	-99.20	373.86	5.98	-93.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010778410	0	43	-1.0	-56.53	337.30	0.94	-55.59
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300010778411	0	45	-1.0	-52.58	371.34	3.51	-49.07
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010778412	0	46	-1.0	-47.99	374.93	5.98	-42.01
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778413	0	48	-1.0	-56.70	387.40	1.95	-54.75
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778414	0	45	-1.0	-50.73	360.67	3.16	-47.57
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778415	0	47	-1.0	-52.12	382.13	5.02	-47.10
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C	REAL300010778416	0	46	-1.0	-48.93	365.60	5.72	-43.21
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010778417	0	37	-1.0	-47.84	312.82	5.13	-42.71
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778418	0	46	-1.0	-51.98	374.26	6.02	-45.96
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778419	0	40	-1.0	-48.79	346.33	6.24	-42.55
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778419	1	39	-2.0	-106.83	352.52	6.61	-100.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010778420	0	37	-1.0	-47.69	317.81	5.84	-41.85
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778421	0	50	-1.0	-50.98	376.19	5.21	-45.77
CC1=C(CCS(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=N1	REAL300010778422	0	39	-1.0	-49.54	324.14	3.00	-46.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010778423	0	40	-1.0	-51.09	337.93	5.84	-45.25
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778424	0	43	-1.0	-50.25	359.40	5.39	-44.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010778425	0	44	-1.0	-49.42	350.05	7.16	-42.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010778426	0	37	-1.0	-49.47	316.05	5.05	-44.42
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300010778427	0	46	-1.0	-50.69	376.29	4.87	-45.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010778428	0	40	-1.0	-52.78	344.69	1.58	-51.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010778429	0	38	-1.0	-50.10	322.50	4.44	-45.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010778430	0	37	-1.0	-48.10	307.59	4.53	-43.57
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778431	0	36	-1.0	-46.37	303.85	3.10	-43.27
CC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(Br)N1C	REAL300010778432	0	37	-1.0	-51.25	318.61	3.55	-47.70
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(Br)N1C	REAL300010778432	1	36	-2.0	-112.92	320.68	3.42	-109.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010778433	0	35	-1.0	-47.40	297.95	2.41	-44.99
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778434	0	47	-1.0	-57.24	367.78	4.59	-52.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010778435	0	35	-1.0	-46.44	323.13	4.76	-41.68
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010778435	1	34	-2.0	-95.77	325.18	4.90	-90.87
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778436	0	45	-1.0	-52.86	376.63	3.02	-49.84
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010778437	0	49	-1.0	-49.20	387.46	6.47	-42.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778438	0	46	-1.0	-54.22	379.23	2.88	-51.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010778439	0	39	-1.0	-51.08	321.78	0.86	-50.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010778440	0	33	-1.0	-45.23	307.23	2.91	-42.32
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778441	0	41	-1.0	-46.84	347.37	3.88	-42.96
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010778442	0	40	-1.0	-46.12	328.61	5.15	-40.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010778443	0	45	-1.0	-47.17	381.77	7.07	-40.10
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778444	0	43	-1.0	-52.43	352.78	5.19	-47.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010778445	0	36	-1.0	-52.93	308.47	3.19	-49.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300010778446	0	44	-1.0	-50.23	320.43	5.30	-44.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010778447	0	40	-1.0	-49.23	338.08	5.83	-43.40
COC(=O)C1(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])CCC1	REAL300010778448	0	43	-1.0	-52.16	335.03	4.22	-47.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010778449	0	34	-1.0	-46.12	307.54	3.90	-42.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010778450	0	38	-1.0	-52.63	323.69	4.79	-47.84
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778451	0	47	-1.0	-50.41	385.40	4.03	-46.38
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778452	0	50	-1.0	-50.16	407.26	4.95	-45.21
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1C	REAL300010778453	0	42	-1.0	-47.30	341.14	3.10	-44.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010778454	0	38	-1.0	-49.79	328.47	3.68	-46.11
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778455	0	43	-1.0	-48.40	368.76	5.74	-42.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010778456	0	35	-1.0	-48.30	301.38	4.11	-44.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1CCOCC1	REAL300010778457	0	44	-1.0	-49.11	332.53	3.07	-46.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010778458	0	50	-1.0	-57.88	408.99	5.69	-52.19
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778459	0	37	-1.0	-47.37	304.60	4.12	-43.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010778460	0	36	-1.0	-48.21	325.16	3.58	-44.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010778461	0	43	-1.0	-49.43	340.72	5.34	-44.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010778462	0	35	-1.0	-51.10	309.94	3.10	-48.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010778463	0	40	-1.0	-50.51	331.29	5.37	-45.14
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010778464	0	37	-1.0	-52.38	315.04	2.51	-49.87
CN1C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010778464	1	36	-2.0	-104.70	319.20	2.82	-101.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010778465	0	36	-1.0	-47.49	315.60	5.68	-41.81
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010778465	1	35	-2.0	-99.56	319.23	5.99	-93.57
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010778466	0	43	-1.0	-48.29	353.16	5.05	-43.24
CC1=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2N=C1Cl	REAL300010778467	0	42	-1.0	-48.86	351.25	5.07	-43.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010778468	0	44	-1.0	-49.15	354.64	4.55	-44.60
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(C)C)=C1	REAL300010778469	0	61	-1.0	-45.80	427.75	9.23	-36.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010778470	0	39	-1.0	-51.22	331.68	4.85	-46.37
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778471	0	46	-1.0	-51.56	375.79	6.09	-45.47
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778472	0	39	-1.0	-54.13	315.98	3.41	-50.72
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778473	0	41	-1.0	-47.01	343.64	3.97	-43.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010778474	0	41	-1.0	-46.87	323.97	5.74	-41.13
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CCC2=C1	REAL300010778475	0	46	-1.0	-48.64	358.88	5.36	-43.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010778476	0	42	-1.0	-47.76	336.70	4.67	-43.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010778477	0	37	-1.0	-47.20	312.47	4.42	-42.78
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010778477	1	36	-2.0	-102.12	315.38	4.40	-97.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010778478	0	37	-1.0	-48.82	325.97	5.81	-43.01
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010778478	1	36	-2.0	-107.43	330.51	6.00	-101.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010778479	0	37	-1.0	-49.14	326.13	5.17	-43.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010778480	0	43	-1.0	-62.10	360.34	2.05	-60.05
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010778481	0	37	-1.0	-51.60	305.07	4.08	-47.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300010778482	0	46	-1.0	-50.14	341.93	5.50	-44.64
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C=C1	REAL300010778483	0	43	-1.0	-48.39	342.44	6.57	-41.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CS1	REAL300010778484	0	31	-1.0	-46.87	280.14	3.05	-43.82
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010778484	1	30	-2.0	-102.75	287.18	3.42	-99.33
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778485	0	43	-1.0	-47.40	360.06	5.57	-41.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010778486	0	49	-1.0	-56.22	397.16	4.21	-52.01
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778487	0	47	-1.0	-52.76	370.26	4.01	-48.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010778488	0	37	-1.0	-50.14	318.14	4.96	-45.18
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010778489	0	40	-1.0	-50.64	327.63	6.06	-44.58
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(CC)=C1	REAL300010778490	0	52	-1.0	-45.65	374.35	8.31	-37.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010778491	0	39	-1.0	-48.97	310.43	3.51	-45.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010778492	0	41	-1.0	-52.67	330.64	3.43	-49.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010778493	0	36	-1.0	-49.06	322.88	3.59	-45.47
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778494	0	42	-1.0	-49.26	350.86	3.38	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010778495	0	42	-1.0	-50.95	345.83	2.20	-48.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010778496	0	45	-1.0	-59.72	349.14	0.93	-58.79
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Cl	REAL300010778497	0	38	-1.0	-47.02	320.17	3.53	-43.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010778498	0	37	-1.0	-49.78	314.39	1.38	-48.40
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778499	0	47	-1.0	-51.44	372.18	4.83	-46.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010778500	0	39	-1.0	-51.11	313.43	3.58	-47.53
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010778501	0	43	-1.0	-47.65	343.52	6.52	-41.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010778502	0	38	-1.0	-47.88	321.39	3.87	-44.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010778503	0	38	-1.0	-47.70	331.72	4.32	-43.38
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778504	0	43	-1.0	-51.65	357.02	5.16	-46.49
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778505	0	47	-1.0	-51.71	368.38	5.20	-46.51
COC(CC(C)C)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778506	0	46	-1.0	-50.15	345.75	3.58	-46.57
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778507	0	38	-1.0	-48.67	312.00	3.50	-45.17
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010778508	0	37	-1.0	-48.35	335.19	5.66	-42.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010778509	0	37	-1.0	-47.85	332.67	5.57	-42.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010778510	0	37	-1.0	-46.67	314.24	2.77	-43.90
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010778511	0	42	-1.0	-51.18	337.11	5.49	-45.69
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778512	0	50	-1.0	-49.27	381.73	5.77	-43.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010778513	0	41	-1.0	-54.57	341.36	5.67	-48.90
COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778514	0	38	-1.0	-49.27	304.93	2.96	-46.31
COC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778515	0	37	-1.0	-46.33	317.68	0.88	-45.45
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300010778516	0	43	-1.0	-50.00	359.28	5.46	-44.54
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778517	0	43	-1.0	-47.91	368.89	5.31	-42.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010778518	0	37	-1.0	-48.57	315.85	5.02	-43.55
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Cl	REAL300010778519	0	37	-1.0	-45.90	310.88	4.76	-41.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010778520	0	40	-1.0	-52.74	323.64	4.65	-48.09
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=N1	REAL300010778521	0	43	-1.0	-48.72	361.63	5.13	-43.59
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300010778522	0	40	-1.0	-50.99	352.29	4.99	-46.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778522	1	39	-2.0	-106.72	354.33	5.12	-101.60
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778523	0	43	-1.0	-50.46	357.69	5.16	-45.30
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778524	0	40	-1.0	-48.96	331.83	5.65	-43.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC1CCOCC1	REAL300010778525	0	47	-1.0	-51.82	354.57	3.88	-47.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010778526	0	49	-1.0	-50.41	389.22	1.37	-49.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010778527	0	42	-1.0	-50.32	328.06	4.87	-45.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010778528	0	41	-1.0	-54.60	340.57	1.53	-53.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010778529	0	34	-1.0	-45.92	296.77	4.22	-41.70
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC(Br)=C1	REAL300010778530	0	34	-1.0	-46.12	304.59	4.28	-41.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010778531	0	43	-1.0	-51.12	338.82	4.14	-46.98
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778532	0	44	-1.0	-52.35	350.04	2.73	-49.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010778533	0	40	-1.0	-51.49	327.56	5.39	-46.10
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778534	0	38	-1.0	-46.54	332.38	4.15	-42.39
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(=O)NCCC2	REAL300010778535	0	49	-1.0	-54.99	381.50	2.57	-52.42
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S2)C1	REAL300010778536	0	45	-1.0	-52.95	363.95	4.21	-48.74
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010778537	0	41	-1.0	-49.06	349.62	6.18	-42.88
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CCOC1	REAL300010778538	0	45	-1.0	-50.07	341.08	1.65	-48.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010778539	0	37	-1.0	-48.12	322.34	5.13	-42.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010778540	0	37	-1.0	-48.40	319.03	5.02	-43.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010778541	0	34	-1.0	-44.71	313.59	4.78	-39.93
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778542	0	41	-1.0	-54.12	331.32	1.10	-53.02
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778543	0	59	-1.0	-47.19	454.99	8.60	-38.59
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778544	0	49	-1.0	-52.05	385.28	6.01	-46.04
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010778545	0	48	-1.0	-49.71	382.84	6.73	-42.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010778546	0	48	-1.0	-49.66	392.11	7.03	-42.63
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2)=N1	REAL300010778547	0	46	-1.0	-50.48	370.24	3.69	-46.79
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010778548	0	44	-1.0	-49.50	356.77	5.16	-44.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010778549	0	46	-1.0	-51.21	358.04	5.09	-46.12
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N(C)N=C1	REAL300010778550	0	40	-1.0	-49.97	324.49	2.96	-47.01
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300010778551	0	42	-1.0	-48.65	355.41	2.50	-46.15
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C12	REAL300010778552	0	46	-1.0	-49.58	367.03	6.61	-42.97
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778553	0	45	-1.0	-51.24	359.66	2.78	-48.46
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300010778554	0	40	-1.0	-51.16	341.97	4.56	-46.60
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778554	1	39	-2.0	-106.18	344.01	4.68	-101.50
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(Cl)C=C21	REAL300010778555	0	45	-1.0	-57.34	368.72	5.42	-51.92
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778556	0	47	-1.0	-49.11	366.27	5.39	-43.72
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CCCC1	REAL300010778557	0	47	-1.0	-48.53	351.58	4.09	-44.44
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CCCCC1	REAL300010778558	0	50	-1.0	-49.01	366.36	5.05	-43.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010778559	0	37	-1.0	-47.48	314.66	3.23	-44.25
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300010778560	0	53	-1.0	-47.23	406.10	6.72	-40.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010778561	0	37	-1.0	-55.33	325.46	3.47	-51.86
COC1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778562	0	38	-1.0	-47.72	311.61	3.61	-44.11
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010778563	0	42	-1.0	-49.92	340.04	6.08	-43.84
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778564	0	41	-1.0	-46.38	317.60	3.69	-42.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010778565	0	47	-1.0	-47.68	376.84	6.05	-41.63
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300010778566	0	40	-1.0	-57.35	334.77	3.36	-53.99
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])O1	REAL300010778566	1	39	-2.0	-100.76	336.65	3.30	-97.46
CCC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1CC1CC1	REAL300010778567	0	47	-1.0	-52.37	370.00	5.91	-46.46
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C1	REAL300010778568	0	45	-1.0	-54.13	359.61	4.23	-49.90
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778569	0	37	-1.0	-46.11	316.22	2.23	-43.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010778570	0	45	-1.0	-48.57	375.35	7.81	-40.76
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778571	0	37	-1.0	-44.99	318.14	5.16	-39.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010778572	0	44	-1.0	-51.03	342.45	7.19	-43.84
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778573	0	40	-1.0	-49.31	338.63	5.83	-43.48
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778574	0	41	-1.0	-50.91	344.35	4.42	-46.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010778575	0	40	-1.0	-49.78	331.25	5.34	-44.44
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1F	REAL300010778576	0	37	-1.0	-50.87	309.20	4.52	-46.35
CC(C)OC1=CN=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778577	0	43	-1.0	-46.33	339.53	2.64	-43.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010778578	0	40	-1.0	-55.30	336.81	2.02	-53.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010778579	0	41	-1.0	-53.60	350.32	3.02	-50.58
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])OC=C1	REAL300010778580	0	36	-2.0	-111.63	312.59	3.28	-108.35
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])OC=C1	REAL300010778580	1	37	-1.0	-52.84	309.85	3.15	-49.69
CCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)C=C1OC	REAL300010778581	0	47	-1.0	-46.99	362.75	5.32	-41.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010778582	0	40	-1.0	-46.06	346.63	5.54	-40.52
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778583	0	42	-1.0	-51.75	343.77	4.66	-47.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=N1	REAL300010778584	0	35	-2.0	-116.92	307.55	2.80	-114.12
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300010778584	1	36	-1.0	-62.33	305.22	2.95	-59.38
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778585	0	37	-1.0	-44.73	327.26	5.57	-39.16
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010778586	0	43	-1.0	-49.74	329.60	6.90	-42.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010778587	0	41	-1.0	-47.54	346.56	3.61	-43.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CC#N	REAL300010778588	0	38	-1.0	-51.96	308.02	5.03	-46.93
CC1=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2NC1=O	REAL300010778589	0	43	-1.0	-51.36	345.82	3.42	-47.94
CN1N=NC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778590	0	39	-1.0	-52.65	319.26	2.12	-50.53
CC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010778591	0	43	-1.0	-49.90	356.47	6.35	-43.55
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010778592	0	34	-1.0	-51.62	292.65	1.17	-50.45
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010778592	1	33	-2.0	-101.60	294.88	1.45	-100.15
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010778593	0	39	-1.0	-47.53	329.54	5.14	-42.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010778594	0	40	-1.0	-48.30	330.62	4.96	-43.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC[NH+]1CCCC1	REAL300010778595	0	46	0.0	-78.63	345.15	4.79	-73.84
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300010778596	0	51	0.0	-72.82	377.16	3.01	-69.81
CN1CCN(CCCS(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1	REAL300010778596	1	50	-1.0	-51.37	373.62	0.54	-50.83
CN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Br	REAL300010778597	0	34	-1.0	-46.84	301.06	1.81	-45.03
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778598	0	38	-1.0	-49.43	310.68	4.99	-44.44
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778599	0	43	-1.0	-47.40	344.75	2.21	-45.19
CCCCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=N1	REAL300010778600	0	46	-1.0	-49.25	364.08	4.39	-44.86
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(OC)C=C1F	REAL300010778601	0	44	-1.0	-49.92	364.59	4.18	-45.74
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778602	0	44	-1.0	-52.88	349.09	4.44	-48.44
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778603	0	38	-1.0	-49.22	309.83	3.82	-45.40
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300010778604	0	50	-1.0	-47.57	384.60	5.92	-41.65
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778605	0	46	-1.0	-47.33	352.84	5.94	-41.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010778606	0	35	-1.0	-47.57	302.77	4.12	-43.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010778607	0	37	-1.0	-48.64	320.31	5.12	-43.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010778608	0	53	-1.0	-48.65	400.96	8.31	-40.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010778609	0	38	-1.0	-51.64	311.06	3.66	-47.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)NC=N1	REAL300010778610	0	31	-1.0	-50.61	276.50	2.08	-48.53
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010778610	1	30	-2.0	-109.77	279.67	1.89	-107.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010778611	0	42	-1.0	-52.89	343.97	4.63	-48.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010778612	0	33	-1.0	-45.92	301.39	2.99	-42.93
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010778612	1	32	-2.0	-97.38	304.25	3.14	-94.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010778613	0	33	-1.0	-49.36	294.50	2.41	-46.95
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010778613	1	32	-2.0	-100.72	296.57	2.53	-98.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)N=C1F	REAL300010778614	0	33	-1.0	-49.79	284.03	1.92	-47.87
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010778614	1	32	-2.0	-99.94	286.12	2.04	-97.90
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778615	0	37	-1.0	-46.94	324.38	1.50	-45.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010778616	0	39	-1.0	-50.50	330.12	4.47	-46.03
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010778617	0	36	-1.0	-46.87	315.19	3.53	-43.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010778618	0	44	-1.0	-52.05	363.17	5.40	-46.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)N=S1(=O)CCCC1	REAL300010778619	0	38	-1.0	-61.59	311.26	1.37	-60.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010778620	0	37	-1.0	-48.94	317.23	4.65	-44.29
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010778621	0	33	-1.0	-51.64	304.14	2.18	-49.46
CCS(=O)(CC)=NS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778622	0	40	-1.0	-61.49	324.53	1.70	-59.79
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010778623	0	36	-1.0	-52.13	309.97	5.02	-47.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010778624	0	42	-1.0	-52.67	327.56	3.13	-49.54
CCN1CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CC1=O	REAL300010778625	0	41	-1.0	-55.64	324.19	2.63	-53.01
CCOC(=O)C1(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CCC1	REAL300010778626	0	43	-1.0	-48.51	323.62	4.23	-44.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010778627	0	45	-1.0	-55.40	360.17	0.40	-55.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010778628	0	35	-1.0	-47.92	319.37	2.69	-45.23
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010778629	0	36	-2.0	-107.10	326.79	5.08	-102.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010778629	1	37	-1.0	-47.88	324.89	5.00	-42.88
CN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C(F)(F)F	REAL300010778630	0	37	-1.0	-47.28	310.11	2.21	-45.07
CN1N=CC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1C(F)(F)F	REAL300010778630	1	36	-2.0	-99.76	312.37	2.57	-97.19
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778631	0	44	-1.0	-46.71	333.87	4.08	-42.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010778632	0	31	-1.0	-47.33	285.96	3.39	-43.94
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(C)(C)C)=N1	REAL300010778633	0	46	-1.0	-48.38	345.99	3.97	-44.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010778634	0	44	-1.0	-48.26	341.68	3.90	-44.36
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778635	0	37	-1.0	-46.21	305.03	2.67	-43.54
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=N1	REAL300010778636	0	34	-1.0	-50.80	302.46	1.93	-48.87
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778637	0	41	-1.0	-50.71	334.96	4.03	-46.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010778638	0	48	-1.0	-50.98	377.96	4.78	-46.20
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778639	0	44	-1.0	-47.06	352.77	6.44	-40.62
COC(=O)C1=CNN=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778640	0	37	-1.0	-56.97	308.58	1.45	-55.52
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778640	1	36	-2.0	-118.64	311.48	1.47	-117.17
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778641	0	37	-1.0	-44.66	327.26	5.57	-39.09
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778642	0	40	-1.0	-49.60	321.65	2.67	-46.93
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778643	0	39	-1.0	-52.89	321.48	4.22	-48.67
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778644	0	43	-1.0	-62.11	343.23	2.14	-59.97
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300010778645	0	56	-1.0	-47.12	428.35	7.49	-39.63
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C#N)=C1	REAL300010778646	0	38	-1.0	-52.83	315.57	4.70	-48.13
CC1=CC=CC(C#N)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778647	0	38	-1.0	-52.10	304.62	4.82	-47.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010778648	0	37	-1.0	-48.27	311.29	4.57	-43.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010778649	0	45	-1.0	-51.18	364.41	4.41	-46.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010778650	0	38	-1.0	-55.56	326.62	5.58	-49.98
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)(C)C	REAL300010778651	0	56	-1.0	-47.21	418.65	7.39	-39.82
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC	REAL300010778652	0	50	-1.0	-47.28	388.72	6.16	-41.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010778653	0	41	-1.0	-52.61	339.31	5.62	-46.99
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778654	0	40	-1.0	-44.82	319.38	5.73	-39.09
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778655	0	48	-1.0	-52.07	378.40	3.45	-48.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010778656	0	37	-1.0	-50.20	332.04	5.60	-44.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010778657	0	37	-1.0	-50.94	322.92	5.19	-45.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010778658	0	44	-1.0	-53.52	357.47	5.71	-47.81
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778659	0	40	-1.0	-48.01	336.11	5.70	-42.31
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1F	REAL300010778660	0	38	-1.0	-50.39	325.49	3.92	-46.47
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1F	REAL300010778660	1	37	-2.0	-110.31	328.16	4.18	-106.13
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778661	0	44	-1.0	-49.68	351.31	6.12	-43.56
CCOC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N(C)N=C1	REAL300010778662	0	43	-1.0	-49.82	345.35	3.79	-46.03
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010778663	0	38	-1.0	-48.89	323.52	5.50	-43.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC(C)(F)F	REAL300010778664	0	39	-1.0	-51.66	315.17	3.97	-47.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCC1=CC=CC=C1	REAL300010778665	0	43	-1.0	-52.37	342.64	6.11	-46.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010778666	0	39	-1.0	-51.26	314.20	0.64	-50.62
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(C(N)=O)O1	REAL300010778667	0	38	-1.0	-50.24	315.68	-0.68	-50.92
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778668	0	43	-1.0	-46.51	328.69	6.25	-40.26
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010778669	0	46	-1.0	-53.52	379.97	5.28	-48.24
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778670	0	47	-1.0	-48.91	377.15	4.51	-44.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300010778671	0	34	-1.0	-47.79	291.03	3.99	-43.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010778672	0	40	-1.0	-51.68	327.61	5.39	-46.29
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778673	0	50	-1.0	-49.75	392.62	6.40	-43.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010778674	0	39	-1.0	-52.71	312.14	4.29	-48.42
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778675	0	54	-1.0	-54.62	401.21	6.04	-48.58
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778676	0	41	-1.0	-53.99	335.72	3.69	-50.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC=C1	REAL300010778677	0	32	-1.0	-51.85	287.52	3.20	-48.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010778678	0	48	-1.0	-49.61	370.14	3.74	-45.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010778679	0	49	-1.0	-60.28	385.32	6.33	-53.95
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010778680	0	48	-1.0	-60.19	375.45	5.61	-54.58
COC1=NC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778681	0	37	-1.0	-50.37	302.92	0.90	-49.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010778682	0	41	-1.0	-48.72	324.26	3.23	-45.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010778683	0	41	-1.0	-46.82	322.85	3.41	-43.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010778684	0	44	-1.0	-46.50	339.83	4.18	-42.32
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010778685	0	46	-1.0	-49.86	366.59	6.61	-43.25
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778686	0	47	-1.0	-52.34	382.12	5.03	-47.31
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778687	0	44	-1.0	-52.78	349.51	4.55	-48.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010778688	0	45	-1.0	-50.43	352.26	1.71	-48.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010778689	0	40	-1.0	-48.80	341.48	4.70	-44.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010778690	0	40	-1.0	-49.79	326.15	0.89	-48.90
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010778691	0	30	-2.0	-102.69	280.97	2.61	-100.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300010778691	1	31	-1.0	-47.29	277.98	2.58	-44.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300010778692	0	41	-1.0	-49.33	318.20	3.64	-45.69
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778693	0	38	-1.0	-46.05	321.29	3.21	-42.84
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300010778694	0	38	-1.0	-47.84	318.38	3.25	-44.59
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300010778695	0	59	-1.0	-47.12	449.09	8.29	-38.83
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778696	0	50	-1.0	-47.25	378.44	5.82	-41.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778697	0	44	-1.0	-48.36	350.46	5.11	-43.25
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778698	0	37	-1.0	-46.02	294.12	4.18	-41.84
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2O1	REAL300010778699	0	42	-1.0	-51.33	333.31	4.31	-47.02
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778700	0	42	-1.0	-47.27	343.66	3.39	-43.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010778701	0	42	-1.0	-53.00	343.67	5.87	-47.13
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778702	0	38	-1.0	-49.04	311.84	4.24	-44.80
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778702	1	37	-2.0	-105.92	319.19	4.56	-101.36
CC1=C(Br)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)S1	REAL300010778703	0	37	-1.0	-46.55	319.45	5.04	-41.51
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Br)=C1	REAL300010778704	0	37	-1.0	-47.91	321.17	5.68	-42.23
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010778705	0	51	-1.0	-58.90	382.92	5.70	-53.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010778706	0	40	-1.0	-50.13	329.95	4.37	-45.76
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300010778707	0	48	-1.0	-59.45	374.02	5.29	-54.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1Cl	REAL300010778708	0	31	-1.0	-47.62	282.75	3.25	-44.37
CN1N=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778709	0	34	-1.0	-46.00	296.57	1.73	-44.27
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010778710	0	36	-1.0	-45.85	308.57	2.86	-42.99
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778711	0	39	-1.0	-56.09	315.71	3.16	-52.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010778712	0	38	-1.0	-50.57	332.26	4.27	-46.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010778713	0	35	-1.0	-46.18	289.84	2.44	-43.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010778714	0	37	-1.0	-55.69	320.90	3.37	-52.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010778715	0	37	-1.0	-49.32	313.25	5.21	-44.11
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778716	0	41	-1.0	-47.10	325.92	3.44	-43.66
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1F	REAL300010778717	0	43	-1.0	-46.86	328.44	6.04	-40.82
COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300010778718	0	42	-1.0	-50.53	332.83	3.64	-46.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010778719	0	43	-1.0	-56.49	342.51	0.87	-55.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010778720	0	35	-1.0	-48.55	315.18	4.57	-43.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300010778721	0	37	-1.0	-49.55	306.98	4.11	-45.44
COC1=CC=C(F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300010778722	0	42	-1.0	-51.22	332.54	3.89	-47.33
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300010778723	0	36	-2.0	-97.02	337.84	3.31	-93.71
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778723	1	37	-1.0	-55.55	335.88	3.36	-52.19
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCCC2)=N1	REAL300010778724	0	47	-1.0	-49.62	365.29	4.55	-45.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010778725	0	38	-1.0	-49.88	325.12	5.60	-44.28
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300010778726	0	41	-1.0	-50.25	333.84	3.57	-46.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010778727	0	36	-2.0	-95.29	311.23	4.38	-90.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010778728	0	38	-1.0	-49.15	314.66	3.24	-45.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010778729	0	38	-1.0	-52.69	332.28	4.31	-48.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010778730	0	37	-1.0	-51.49	302.84	2.69	-48.80
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010778730	1	36	-2.0	-111.16	308.64	3.11	-108.05
CN1N=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C21	REAL300010778731	0	39	-1.0	-59.21	321.60	2.20	-57.01
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300010778732	0	40	-1.0	-46.36	331.60	5.78	-40.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010778733	0	40	-1.0	-53.45	343.80	4.79	-48.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010778734	0	37	-1.0	-49.06	310.17	4.11	-44.95
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCC2)=N1	REAL300010778735	0	44	-1.0	-49.71	349.18	4.06	-45.65
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778736	0	52	-1.0	-46.78	389.56	7.68	-39.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010778737	0	40	-1.0	-47.99	347.04	5.62	-42.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC=C1	REAL300010778738	0	31	-1.0	-46.87	282.97	3.32	-43.55
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010778739	0	44	-1.0	-50.23	348.30	4.26	-45.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010778740	0	38	-1.0	-47.98	310.83	4.87	-43.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010778741	0	45	-1.0	-49.01	375.75	6.59	-42.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010778742	0	47	-1.0	-54.17	365.34	2.06	-52.11
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010778743	0	43	-1.0	-57.86	340.64	4.92	-52.94
CCCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778744	0	43	-1.0	-47.23	339.85	5.88	-41.35
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778745	0	40	-1.0	-49.38	331.02	1.96	-47.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010778746	0	35	-1.0	-50.81	300.58	4.10	-46.71
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778747	0	41	-1.0	-48.17	319.34	3.05	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010778748	0	38	-1.0	-46.64	331.89	5.01	-41.63
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C=C1	REAL300010778749	0	46	-1.0	-50.09	375.81	6.54	-43.55
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778750	0	43	-1.0	-46.85	322.28	3.36	-43.49
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778751	0	43	-1.0	-49.71	338.89	3.33	-46.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010778752	0	41	-1.0	-48.97	326.29	2.75	-46.22
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010778753	0	39	-1.0	-47.43	326.86	3.54	-43.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010778754	0	37	-1.0	-45.35	320.56	4.73	-40.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CF)C=C1	REAL300010778755	0	37	-1.0	-48.08	303.55	4.48	-43.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010778756	0	34	-1.0	-48.05	296.94	4.22	-43.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010778757	0	34	-1.0	-46.67	305.92	3.83	-42.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010778758	0	37	-1.0	-45.72	327.42	5.07	-40.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010778759	0	37	-1.0	-52.53	296.22	5.24	-47.29
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778760	0	45	-1.0	-54.81	360.44	5.79	-49.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010778761	0	45	-1.0	-47.57	343.38	6.71	-40.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010778762	0	44	-1.0	-53.61	354.88	5.36	-48.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010778763	0	40	-1.0	-55.04	338.17	4.69	-50.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010778764	0	39	-1.0	-49.53	335.75	4.22	-45.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010778765	0	41	-1.0	-52.02	329.67	2.23	-49.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010778766	0	34	-1.0	-49.08	294.89	4.14	-44.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010778767	0	41	-1.0	-47.38	323.73	5.75	-41.63
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CS1	REAL300010778768	0	35	-1.0	-48.87	299.52	2.20	-46.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010778769	0	37	-1.0	-47.84	307.46	5.40	-42.44
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778770	0	40	-1.0	-47.78	340.22	3.95	-43.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010778771	0	41	-1.0	-48.76	331.89	5.99	-42.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010778772	0	44	-1.0	-46.73	340.37	4.12	-42.61
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778773	0	43	-1.0	-46.66	334.55	3.44	-43.22
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778774	0	43	-1.0	-54.24	345.46	1.19	-53.05
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010778775	0	37	-1.0	-55.84	328.50	0.25	-55.59
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778776	0	46	-1.0	-53.92	365.68	7.50	-46.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010778777	0	34	-1.0	-56.71	301.21	3.21	-53.50
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010778777	1	33	-2.0	-97.92	303.06	3.15	-94.77
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778778	0	38	-1.0	-46.87	318.07	3.60	-43.27
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010778779	0	48	-1.0	-49.79	374.69	2.79	-47.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010778780	0	40	-1.0	-49.00	329.04	5.28	-43.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010778781	0	38	-1.0	-49.31	314.68	3.24	-46.07
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778782	0	35	-1.0	-47.55	298.70	2.15	-45.40
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010778783	0	45	-1.0	-53.93	345.65	6.22	-47.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300010778784	0	37	-1.0	-49.03	306.96	2.25	-46.78
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778785	0	44	-1.0	-48.87	352.75	4.45	-44.42
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778786	0	43	-1.0	-51.11	355.75	5.99	-45.12
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778787	0	44	-1.0	-48.45	354.27	4.81	-43.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010778788	0	47	-1.0	-48.13	360.67	4.50	-43.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010778789	0	45	-1.0	-48.28	365.22	6.58	-41.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300010778790	0	37	-1.0	-48.94	295.23	4.72	-44.22
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778791	0	46	-1.0	-51.74	364.66	6.48	-45.26
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1Br	REAL300010778792	0	40	-1.0	-45.86	332.45	5.38	-40.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010778793	0	39	-1.0	-49.35	337.02	5.09	-44.26
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010778793	1	38	-2.0	-106.24	341.97	5.47	-100.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010778794	0	33	-1.0	-51.96	299.89	2.08	-49.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010778795	0	35	-1.0	-53.80	302.90	4.17	-49.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010778796	0	38	-1.0	-54.04	314.90	3.31	-50.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010778797	0	40	-1.0	-46.52	351.31	5.00	-41.52
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010778797	1	39	-2.0	-101.91	356.46	5.27	-96.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010778798	0	46	-1.0	-51.47	359.44	1.52	-49.95
CCN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010778799	0	37	-1.0	-46.92	319.22	2.60	-44.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010778800	0	38	-1.0	-48.85	327.53	5.59	-43.26
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2	REAL300010778801	0	40	-1.0	-48.19	360.13	4.86	-43.33
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010778802	0	33	-2.0	-103.03	309.02	4.84	-98.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010778803	0	36	-1.0	-49.67	318.13	3.09	-46.58
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010778803	1	35	-2.0	-99.43	320.22	3.20	-96.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010778804	0	39	-1.0	-54.67	331.37	4.84	-49.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010778805	0	39	-1.0	-53.92	328.73	4.70	-49.22
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010778806	0	43	-1.0	-49.99	334.69	6.59	-43.40
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778807	0	38	-1.0	-50.18	327.61	4.41	-45.77
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778807	1	37	-2.0	-111.34	331.04	4.91	-106.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010778808	0	41	-1.0	-50.35	332.58	4.04	-46.31
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300010778809	0	48	-1.0	-49.74	379.20	5.18	-44.56
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010778810	0	34	-1.0	-48.29	304.63	4.36	-43.93
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010778810	1	33	-2.0	-99.70	306.74	4.54	-95.16
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])O1	REAL300010778811	0	40	-1.0	-63.26	340.88	0.28	-62.98
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010778812	0	44	-1.0	-52.34	353.05	5.23	-47.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010778813	0	40	-1.0	-49.97	347.57	1.59	-48.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010778814	0	38	-1.0	-56.12	316.30	5.13	-50.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010778815	0	38	-1.0	-55.48	331.19	5.67	-49.81
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010778816	0	38	-1.0	-55.59	331.18	5.68	-49.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300010778817	0	39	-1.0	-59.25	319.08	-2.23	-61.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010778818	0	37	-1.0	-52.50	301.77	3.84	-48.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300010778819	0	40	-1.0	-49.36	311.85	4.34	-45.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010778820	0	36	-1.0	-50.20	306.12	3.04	-47.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300010778821	0	42	-1.0	-51.60	330.72	1.02	-50.58
CC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010778822	0	43	-1.0	-51.19	348.99	3.60	-47.59
CC1=NC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010778822	1	42	-2.0	-117.27	355.26	2.93	-114.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010778823	0	51	-1.0	-50.46	352.88	6.70	-43.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300010778824	0	44	-1.0	-52.74	336.86	2.96	-49.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300010778825	0	37	-1.0	-58.96	306.88	-0.49	-59.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010778826	0	42	-1.0	-49.36	314.70	4.27	-45.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300010778827	0	42	-1.0	-61.32	346.37	0.64	-60.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300010778828	0	47	-1.0	-49.51	349.22	4.40	-45.11
CCOC(=O)C1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2C=CC=CN12	REAL300010778829	0	46	-1.0	-55.87	378.85	5.80	-50.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010778830	0	44	-1.0	-50.22	346.35	6.14	-44.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010778831	0	38	-1.0	-54.29	324.61	2.92	-51.37
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2C=C1	REAL300010778832	0	43	-1.0	-53.26	358.73	6.08	-47.18
CC(C)(CCC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010778833	0	44	-1.0	-53.22	358.28	6.72	-46.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010778834	0	43	-1.0	-52.17	328.06	1.63	-50.54
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778835	0	43	-1.0	-53.35	349.11	4.72	-48.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010778836	0	47	-1.0	-50.21	343.47	5.82	-44.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010778837	0	38	-1.0	-47.58	318.84	5.05	-42.53
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010778838	0	56	-1.0	-47.24	404.14	7.83	-39.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010778839	0	37	-1.0	-53.30	320.81	4.47	-48.83
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778840	0	45	-1.0	-48.82	354.67	4.88	-43.94
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=NN1	REAL300010778841	0	40	-1.0	-48.71	336.21	1.73	-46.98
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778841	1	39	-2.0	-91.17	332.60	1.58	-89.59
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N[N-]1	REAL300010778841	1	39	-2.0	-91.17	332.78	1.59	-89.58
COC1=CSC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300010778842	0	39	-1.0	-48.86	327.45	1.64	-47.22
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])=C1	REAL300010778843	0	36	-2.0	-96.45	333.77	3.20	-93.25
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778843	1	37	-1.0	-55.65	331.81	3.25	-52.40
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778844	0	38	-1.0	-48.15	323.92	4.76	-43.39
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778844	1	37	-2.0	-105.24	333.34	5.14	-100.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010778845	0	38	-1.0	-49.68	325.62	4.56	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010778846	0	38	-1.0	-50.28	320.14	3.32	-46.96
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778847	0	40	-1.0	-48.49	317.93	3.45	-45.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010778848	0	37	-1.0	-51.72	305.93	5.31	-46.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010778849	0	43	-1.0	-48.50	354.43	4.15	-44.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010778850	0	31	-1.0	-44.09	299.24	3.72	-40.37
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010778850	1	30	-2.0	-94.20	304.29	4.03	-90.17
CN1N=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1Cl	REAL300010778851	0	34	-1.0	-47.09	297.36	1.72	-45.37
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778852	0	47	-1.0	-49.44	367.91	5.98	-43.46
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010778853	0	51	-1.0	-49.51	392.59	5.56	-43.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010778854	0	37	-1.0	-47.69	329.06	5.30	-42.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010778855	0	39	-1.0	-50.40	328.36	4.36	-46.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010778856	0	45	-1.0	-50.18	364.67	6.56	-43.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010778857	0	40	-1.0	-53.16	313.48	5.79	-47.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010778858	0	39	-1.0	-52.06	329.49	2.25	-49.81
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010778859	0	35	-1.0	-50.80	318.55	2.60	-48.20
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778860	0	36	-1.0	-45.60	303.64	3.04	-42.56
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778861	0	45	-1.0	-49.71	359.51	5.37	-44.34
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300010778862	0	44	-1.0	-50.04	355.37	4.43	-45.61
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NSN=C2C=C1	REAL300010778863	0	38	-1.0	-51.93	313.26	3.13	-48.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010778864	0	40	-1.0	-47.26	337.78	6.41	-40.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010778865	0	44	-1.0	-47.06	366.32	7.59	-39.47
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(Cl)S1	REAL300010778866	0	37	-1.0	-49.11	332.84	4.80	-44.31
CCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300010778867	0	40	-1.0	-45.78	333.21	5.52	-40.26
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778868	0	47	-1.0	-46.78	362.80	4.91	-41.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300010778869	0	31	-1.0	-46.15	283.76	3.21	-42.94
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778870	0	48	-1.0	-50.01	382.17	3.94	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010778871	0	40	-1.0	-49.09	335.19	6.65	-42.44
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778872	0	42	-1.0	-47.58	324.96	1.70	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010778873	0	41	-1.0	-48.26	319.57	6.03	-42.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010778874	0	49	-1.0	-48.31	377.94	4.11	-44.20
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778875	0	37	-1.0	-47.12	319.81	1.39	-45.73
COC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778876	0	40	-1.0	-47.48	323.27	1.13	-46.35
CC(C)CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300010778877	0	43	-1.0	-49.04	341.70	3.65	-45.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778878	0	43	-1.0	-49.07	342.28	3.34	-45.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010778879	0	33	-1.0	-45.94	301.08	1.69	-44.25
COCC1=CC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=NO1	REAL300010778880	0	40	-1.0	-54.50	330.29	1.71	-52.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)C=CS1	REAL300010778881	0	32	-1.0	-50.09	284.01	2.92	-47.17
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778882	0	43	-1.0	-54.47	357.32	2.73	-51.74
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300010778882	1	42	-2.0	-90.96	354.32	1.64	-89.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010778883	0	38	-1.0	-47.57	340.23	6.01	-41.56
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778884	0	40	-1.0	-47.06	316.36	2.87	-44.19
COC(=O)C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300010778885	0	42	-1.0	-48.49	341.44	3.10	-45.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010778886	0	37	-1.0	-53.41	313.65	5.49	-47.92
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010778887	0	41	-1.0	-46.48	322.21	3.85	-42.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010778888	0	41	-1.0	-50.23	326.70	4.84	-45.39
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C(C)C	REAL300010778889	0	43	-1.0	-48.50	338.70	3.37	-45.13
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010778890	0	41	-1.0	-48.11	336.08	5.91	-42.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010778891	0	36	-1.0	-48.18	301.76	2.69	-45.49
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300010778892	0	48	-1.0	-48.13	385.12	7.28	-40.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010778893	0	41	-1.0	-49.05	336.97	5.90	-43.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010778894	0	38	-1.0	-50.47	327.70	4.17	-46.30
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778895	0	43	-1.0	-51.46	342.82	5.52	-45.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010778896	0	37	-1.0	-49.45	314.95	4.69	-44.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010778897	0	38	-1.0	-56.14	323.90	3.19	-52.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010778898	0	41	-1.0	-49.89	330.47	6.04	-43.85
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300010778899	0	37	-1.0	-48.56	322.74	5.34	-43.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010778900	0	38	-1.0	-46.38	328.64	3.66	-42.72
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(F)F)=C1	REAL300010778901	0	41	-1.0	-48.67	325.81	4.27	-44.40
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010778902	0	47	-1.0	-51.16	378.12	5.28	-45.88
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C1	REAL300010778903	0	47	-1.0	-50.22	374.91	6.18	-44.04
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778904	0	40	-1.0	-46.91	341.94	1.84	-45.07
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778905	0	40	-1.0	-47.81	342.51	5.78	-42.03
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778905	1	39	-2.0	-103.13	346.50	5.99	-97.14
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778906	0	39	-1.0	-51.72	316.25	3.43	-48.29
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300010778907	0	40	-1.0	-54.88	323.57	5.30	-49.58
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-]	REAL300010778907	1	39	-2.0	-119.32	331.74	5.50	-113.82
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010778908	0	42	-1.0	-54.23	334.87	4.90	-49.33
CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010778909	0	29	-2.0	-94.68	283.14	2.36	-92.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=NS1	REAL300010778909	1	30	-1.0	-45.03	279.22	2.20	-42.83
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C(Cl)S1	REAL300010778910	0	34	-1.0	-44.89	301.19	4.11	-40.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010778911	0	41	-1.0	-50.97	349.95	4.66	-46.31
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778912	0	47	-1.0	-49.84	366.45	5.72	-44.12
CC1=CC=C(O)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778913	0	38	-1.0	-49.10	308.46	1.99	-47.11
CC1=CC=C([O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300010778913	1	37	-2.0	-99.87	304.78	2.93	-96.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=CN=C2Cl)CCO1	REAL300010778914	0	29	-1.0	-50.29	268.02	1.88	-48.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Br)=C2)CCO1	REAL300010778915	0	30	-1.0	-50.95	287.63	4.06	-46.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2Br)CCO1	REAL300010778916	0	30	-1.0	-52.67	272.92	3.72	-48.95
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300010778917	0	42	-1.0	-49.54	321.34	5.88	-43.66
COC(=O)CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010778918	0	39	-1.0	-54.94	331.48	3.94	-51.00
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778919	0	36	-1.0	-58.55	307.07	5.03	-53.52
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778920	0	39	-1.0	-50.35	342.26	5.06	-45.29
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CCO1	REAL300010778921	0	30	-1.0	-49.00	286.27	4.12	-44.88
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010778922	0	36	-1.0	-59.66	321.85	4.18	-55.48
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778923	0	42	-1.0	-50.48	341.88	5.78	-44.70
CC(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778924	0	39	-1.0	-50.60	325.90	5.39	-45.21
CCC(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778925	0	42	-1.0	-50.44	344.31	6.05	-44.39
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778926	0	41	-1.0	-54.41	361.96	1.44	-52.97
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CCO1	REAL300010778927	0	34	-1.0	-51.50	302.07	0.24	-51.26
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778928	0	40	-1.0	-54.51	348.53	2.47	-52.04
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CCO1	REAL300010778929	0	32	-1.0	-46.52	301.03	4.42	-42.10
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CCO1	REAL300010778930	0	30	-1.0	-50.82	284.70	4.57	-46.25
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)S2)CCO1	REAL300010778931	0	27	-1.0	-48.99	275.29	3.04	-45.95
CCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778932	0	39	-1.0	-49.81	330.74	5.66	-44.15
COC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778933	0	34	-1.0	-51.35	289.61	3.29	-48.06
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)CCO1	REAL300010778934	0	30	-1.0	-46.78	294.06	4.35	-42.43
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010778935	0	34	-1.0	-52.57	316.25	3.41	-49.16
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778936	0	41	-1.0	-56.30	345.66	2.18	-54.12
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCO1	REAL300010778937	0	30	-1.0	-46.57	280.30	3.49	-43.08
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CCO1	REAL300010778938	0	30	-1.0	-46.92	299.81	4.47	-42.45
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2Cl)CCO1	REAL300010778939	0	30	-1.0	-53.19	270.56	3.63	-49.56
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010778940	0	42	-1.0	-54.11	375.85	4.73	-49.38
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010778941	0	42	-1.0	-62.79	362.01	5.67	-57.12
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC=C2F)CCO1	REAL300010778942	0	30	-1.0	-53.58	274.73	3.70	-49.88
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)N=C2)CCO1	REAL300010778943	0	29	-1.0	-50.47	278.20	2.08	-48.39
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2F)CCO1	REAL300010778944	0	30	-1.0	-51.48	284.44	3.88	-47.60
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CCO1	REAL300010778945	0	33	-1.0	-48.75	305.74	5.19	-43.56
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300010778946	0	33	-1.0	-48.16	305.83	4.62	-43.54
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1NC(C)=O	REAL300010778947	0	41	-1.0	-61.61	351.25	1.75	-59.86
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300010778948	0	34	-1.0	-49.32	311.66	3.25	-46.07
CC1=C(C)C(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1C	REAL300010778949	0	45	-1.0	-50.39	333.72	6.29	-44.10
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CCO1	REAL300010778950	0	39	-1.0	-54.40	329.15	3.38	-51.02
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010778951	0	35	-1.0	-48.29	310.55	4.63	-43.66
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)S2)CCO1	REAL300010778952	0	27	-1.0	-49.01	279.93	3.14	-45.87
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Cl	REAL300010778953	0	36	-1.0	-47.42	318.36	5.64	-41.78
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778954	0	34	-1.0	-51.89	310.90	3.92	-47.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778955	0	48	-1.0	-49.39	365.25	7.21	-42.18
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCO1	REAL300010778956	0	46	-1.0	-50.29	367.53	7.27	-43.02
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300010778957	0	33	-1.0	-48.79	304.38	4.47	-44.32
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CCO1	REAL300010778958	0	40	-1.0	-50.15	329.05	5.93	-44.22
COC1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010778959	0	38	-1.0	-54.84	319.08	2.59	-52.25
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300010778960	0	38	-1.0	-52.65	325.06	2.64	-50.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CCO1	REAL300010778961	0	40	-1.0	-51.84	362.88	3.06	-48.78
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCCC3=C2)CCO1	REAL300010778962	0	37	-1.0	-50.37	311.89	5.35	-45.02
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010778963	0	37	-1.0	-55.28	340.61	1.60	-53.68
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CCO1	REAL300010778964	0	38	-1.0	-51.24	320.12	5.87	-45.37
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2F)CCO1	REAL300010778965	0	30	-1.0	-49.02	274.10	3.43	-45.59
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010778966	0	40	-1.0	-61.05	326.48	2.65	-58.40
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCO1	REAL300010778967	0	27	-1.0	-45.79	279.96	3.25	-42.54
CC(C)CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778968	0	45	-1.0	-49.77	369.80	6.95	-42.82
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CCO1	REAL300010778969	0	36	-1.0	-53.37	301.61	5.48	-47.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300010778970	0	40	-1.0	-51.93	339.85	6.88	-45.05
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CCO1	REAL300010778971	0	33	-1.0	-46.62	311.51	4.72	-41.90
CC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778972	0	33	-1.0	-50.99	276.39	3.83	-47.16
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CCO1	REAL300010778973	0	30	-1.0	-47.55	304.09	5.21	-42.34
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010778974	0	45	-1.0	-50.50	356.10	6.25	-44.25
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010778975	0	33	-1.0	-51.18	301.81	4.55	-46.63
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CCO1	REAL300010778976	0	30	-1.0	-47.13	284.66	3.65	-43.48
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010778977	0	33	-1.0	-54.42	289.13	4.04	-50.38
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CCO1	REAL300010778978	0	30	-1.0	-45.82	294.71	4.03	-41.79
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CCO1	REAL300010778979	0	33	-1.0	-49.05	306.46	4.37	-44.68
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CCO1	REAL300010778980	0	30	-1.0	-47.66	294.70	4.03	-43.63
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCO1	REAL300010778981	0	30	-1.0	-47.81	280.39	3.48	-44.33
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NON=C32)CCO1	REAL300010778982	0	31	-1.0	-61.01	281.35	2.23	-58.78
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010778983	0	33	-1.0	-48.36	293.05	4.14	-44.22
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CCO1	REAL300010778984	0	33	-1.0	-50.99	310.65	4.50	-46.49
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CCO1	REAL300010778985	0	35	-1.0	-57.87	301.20	4.46	-53.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CCO1	REAL300010778986	0	33	-1.0	-48.82	295.40	4.74	-44.08
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CCO1	REAL300010778987	0	41	-1.0	-50.54	371.35	6.89	-43.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2F)CCO1	REAL300010778988	0	30	-1.0	-49.80	284.50	3.91	-45.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C=C2Br)CCO1	REAL300010778989	0	30	-1.0	-46.78	281.46	3.88	-42.90
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778990	0	36	-1.0	-48.39	317.83	3.96	-44.43
CC1=CC=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010778991	0	33	-1.0	-49.80	289.14	4.03	-45.77
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010778992	0	34	-1.0	-53.78	302.06	2.81	-50.97
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010778993	0	33	-1.0	-52.11	293.06	4.15	-47.96
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCO1	REAL300010778994	0	30	-1.0	-49.60	280.55	3.80	-45.80
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)CCO1	REAL300010778995	0	30	-1.0	-49.85	293.34	4.10	-45.75
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)C=C1	REAL300010778996	0	45	-1.0	-50.90	386.24	5.65	-45.25
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010778997	0	37	-1.0	-52.21	336.50	2.97	-49.24
CN(C1CCCCC1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010778998	0	41	-1.0	-49.15	322.73	3.90	-45.25
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010778999	0	46	-1.0	-53.44	369.88	6.39	-47.05
N#CC1=CC=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779000	0	34	-1.0	-57.01	310.14	4.57	-52.44
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1F	REAL300010779494	0	37	-1.0	-52.32	304.05	3.07	-49.25
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCO1	REAL300010779495	0	37	-1.0	-53.91	330.03	4.00	-49.91
COC(=O)C1CCCCC1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779496	0	42	-1.0	-54.49	328.83	4.82	-49.67
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779497	0	45	-1.0	-48.89	356.00	4.37	-44.52
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779498	0	38	-1.0	-51.87	335.16	5.68	-46.19
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779499	0	37	-1.0	-55.45	322.03	2.34	-53.11
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779500	0	38	-1.0	-54.15	315.13	4.93	-49.22
O=C([O-])C1CN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCO1	REAL300010779501	0	35	-1.0	-50.58	321.23	3.96	-46.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(I)C=C2)CCO1	REAL300010779502	0	30	-1.0	-48.56	293.42	4.56	-44.00
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300010779503	0	32	-1.0	-58.39	280.51	5.04	-53.35
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)O2)CCO1	REAL300010779504	0	27	-1.0	-51.13	270.69	2.16	-48.97
N#CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCCCC1	REAL300010779505	0	40	-1.0	-59.56	321.36	4.34	-55.22
CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCCCC1	REAL300010779506	0	42	-1.0	-49.79	316.19	4.95	-44.84
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300010779507	0	32	-1.0	-57.40	294.56	4.11	-53.29
COC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779508	0	34	-1.0	-49.53	317.14	3.36	-46.17
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1C	REAL300010779509	0	40	-1.0	-52.68	348.58	4.49	-48.19
O=C([O-])C1CN(S(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CCO1	REAL300010779510	0	43	-1.0	-60.51	377.21	4.56	-55.95
CCC1=NOC2=NC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C12	REAL300010779511	0	37	-1.0	-49.19	327.57	1.15	-48.04
CCC1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779512	0	32	-1.0	-48.71	296.34	2.02	-46.69
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CCO1	REAL300010779513	0	42	-1.0	-52.95	349.93	4.92	-48.03
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC=C2Cl)CCO1	REAL300010779514	0	30	-1.0	-51.68	279.86	4.15	-47.53
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Cl)=N1	REAL300010779515	0	32	-1.0	-50.07	289.51	2.48	-47.59
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779516	0	35	-1.0	-49.90	310.29	3.69	-46.21
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCO1	REAL300010779517	0	37	-1.0	-51.08	326.31	5.02	-46.06
CSC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779518	0	34	-1.0	-52.22	321.55	4.91	-47.31
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779519	0	32	-1.0	-53.30	305.63	3.83	-49.47
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779520	0	40	-1.0	-60.75	348.58	0.01	-60.74
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN=C1Cl	REAL300010779521	0	33	-1.0	-50.29	307.19	1.40	-48.89
CC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779522	0	35	-1.0	-51.59	306.14	3.86	-47.73
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779523	0	39	-1.0	-58.03	342.23	4.39	-53.64
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCO1	REAL300010779524	0	45	-1.0	-49.82	380.08	3.88	-45.94
O=C([O-])C1CN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CCO1	REAL300010779525	0	29	-1.0	-48.25	286.71	3.22	-45.03
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779526	0	48	0.0	-72.26	379.68	4.55	-67.71
CCC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779527	0	39	-1.0	-51.78	333.03	5.59	-46.19
CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779528	0	36	-1.0	-54.72	316.10	4.90	-49.82
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779529	0	33	-1.0	-46.60	291.53	4.38	-42.22
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CCO1	REAL300010779530	0	34	-1.0	-53.67	297.35	3.28	-50.39
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=C2F)CCO1	REAL300010779531	0	30	-1.0	-51.36	289.01	3.99	-47.37
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779532	0	38	-1.0	-57.24	319.60	3.94	-53.30
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCO1	REAL300010779533	0	39	-1.0	-52.02	327.52	4.90	-47.12
CC1=CC=CC(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779534	0	33	-1.0	-49.65	281.41	4.21	-45.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779535	0	44	-1.0	-53.09	383.35	4.60	-48.49
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3CCCN23)CCO1	REAL300010779536	0	34	-1.0	-55.39	294.29	2.88	-52.51
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779537	0	31	-1.0	-49.92	291.18	4.02	-45.90
CC1=NC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=CS1	REAL300010779538	0	32	-1.0	-55.52	296.71	1.84	-53.68
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCO1	REAL300010779539	0	33	-1.0	-51.05	310.29	2.52	-48.53
COC(=O)CCCCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779540	0	41	-1.0	-57.13	349.33	4.31	-52.82
CN1N=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CN=C21	REAL300010779541	0	35	-1.0	-50.69	310.69	2.58	-48.11
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779542	0	38	-1.0	-52.99	332.81	1.69	-51.30
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CCO1	REAL300010779544	0	33	-1.0	-46.47	322.10	4.95	-41.52
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779545	0	41	-1.0	-58.09	339.46	2.22	-55.87
COC1=C(F)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779546	0	36	-1.0	-47.58	329.87	4.27	-43.31
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779547	0	40	-1.0	-53.77	356.86	2.75	-51.02
COC1=CC=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779548	0	40	-1.0	-53.30	340.38	4.27	-49.03
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CCO1	REAL300010779549	0	33	-1.0	-50.95	304.26	2.35	-48.60
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CCO1	REAL300010779550	0	41	-1.0	-53.45	347.53	4.77	-48.68
CC1=CC=NC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C12	REAL300010779551	0	38	-1.0	-58.21	319.13	5.01	-53.20
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)CCO1	REAL300010779552	0	33	-1.0	-57.17	300.50	4.37	-52.80
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CCO1	REAL300010779553	0	33	-1.0	-51.44	306.46	4.37	-47.07
CC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779554	0	33	-1.0	-50.32	309.01	4.71	-45.61
CSC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779555	0	34	-1.0	-52.96	295.33	4.21	-48.75
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779556	0	41	-1.0	-56.63	337.67	3.25	-53.38
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCO1	REAL300010779557	0	42	-1.0	-52.38	355.85	3.14	-49.24
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCO1	REAL300010779558	0	38	-1.0	-51.42	334.99	4.72	-46.70
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779559	0	40	-1.0	-53.77	356.86	2.75	-51.02
CN(C)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779560	0	38	-1.0	-51.38	317.44	3.83	-47.55
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2)CCO1	REAL300010779561	0	33	-1.0	-52.10	311.97	4.76	-47.34
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(OC)=C1	REAL300010779562	0	40	-1.0	-51.83	344.25	3.95	-47.88
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=CS1	REAL300010779563	0	36	-1.0	-51.30	322.70	4.06	-47.24
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300010779564	0	34	-1.0	-49.71	302.05	2.81	-46.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779565	0	41	-1.0	-53.62	344.42	3.84	-49.78
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779566	0	44	-1.0	-52.72	374.92	4.65	-48.07
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779567	0	39	-1.0	-51.74	315.27	5.43	-46.31
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCO1	REAL300010779568	0	44	-1.0	-51.18	376.32	6.86	-44.32
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779569	0	38	-1.0	-60.20	335.49	5.69	-54.51
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779570	0	42	0.0	-77.36	344.71	5.35	-72.01
CN(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779571	0	38	-1.0	-52.35	317.15	3.88	-48.47
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300010779572	0	45	-1.0	-50.40	390.05	6.12	-44.28
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CS2)CCO1	REAL300010779573	0	33	-1.0	-50.18	301.86	4.03	-46.15
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779574	0	42	-1.0	-56.35	346.80	5.35	-51.00
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCO1	REAL300010779575	0	30	-1.0	-45.27	292.52	4.18	-41.09
CC1=C(Cl)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779576	0	30	-1.0	-49.02	295.30	3.64	-45.38
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CCO1	REAL300010779577	0	36	-1.0	-51.38	311.31	3.98	-47.40
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779578	0	34	-1.0	-52.87	297.18	2.66	-50.21
CC1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010779579	0	38	-1.0	-51.34	316.26	6.48	-44.86
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCO1	REAL300010779580	0	36	-1.0	-52.22	326.66	5.24	-46.98
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010779581	0	40	-1.0	-45.78	341.33	5.79	-39.99
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779582	0	33	-1.0	-48.69	296.99	4.43	-44.26
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCO1	REAL300010779583	0	35	-1.0	-54.83	307.54	3.81	-51.02
CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779584	0	36	-1.0	-52.78	316.13	4.91	-47.87
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779585	0	38	-1.0	-46.53	313.88	4.92	-41.61
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)CCO1	REAL300010779586	0	30	-1.0	-48.97	288.00	4.17	-44.80
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010779587	0	40	-1.0	-45.78	341.33	5.79	-39.99
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)CCO1	REAL300010779588	0	29	-1.0	-47.18	284.06	2.13	-45.05
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CCO1	REAL300010779589	0	30	-1.0	-49.32	302.46	4.52	-44.80
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCO1	REAL300010779590	0	41	-1.0	-49.77	362.84	3.27	-46.50
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCO1	REAL300010779591	0	30	-1.0	-48.69	287.42	3.85	-44.84
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779592	0	40	-1.0	-51.89	325.16	4.99	-46.90
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779593	0	33	-1.0	-50.54	293.51	0.13	-50.41
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C#N	REAL300010779594	0	34	-1.0	-49.43	306.30	4.33	-45.10
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779595	0	36	-1.0	-55.08	325.64	4.12	-50.96
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779596	0	34	-1.0	-51.98	306.34	3.81	-48.17
O=C([O-])C1CN(S(=O)(=O)C2=CNC(C(F)(F)F)=C2)CCO1	REAL300010779597	0	31	-1.0	-53.40	293.83	2.22	-51.18
O=C([O-])C1CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CCO1	REAL300010779598	0	43	-1.0	-51.98	355.13	6.74	-45.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=NO1	REAL300010779599	0	41	-1.0	-56.42	347.49	4.20	-52.22
O=C([O-])C1CN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)CCO1	REAL300010779600	0	47	-1.0	-54.09	356.84	9.13	-44.96
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C12	REAL300010779601	0	44	-1.0	-51.85	355.53	5.65	-46.20
COC1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779602	0	37	-1.0	-52.95	299.68	3.07	-49.88
COC(=O)C1=CN=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779603	0	35	-1.0	-50.37	315.50	2.31	-48.06
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010779604	0	31	-1.0	-47.22	306.83	4.34	-42.88
O=C([O-])C1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCO1	REAL300010779605	0	32	-1.0	-48.08	313.36	4.76	-43.32
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779606	0	37	-1.0	-51.84	315.50	3.61	-48.23
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779607	0	36	-1.0	-47.49	338.15	4.24	-43.25
CN(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779608	0	37	-1.0	-53.24	315.10	3.26	-49.98
COC1=CC(Cl)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300010779609	0	38	-1.0	-49.27	329.09	2.84	-46.43
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCO1	REAL300010779610	0	34	-1.0	-52.16	311.81	3.08	-49.08
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CCO1	REAL300010779611	0	33	-1.0	-50.23	310.66	4.50	-45.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779612	0	41	-1.0	-52.24	358.20	0.41	-51.83
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2S1	REAL300010779613	0	42	-1.0	-53.29	380.95	6.47	-46.82
N#CCC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779614	0	34	-1.0	-59.19	308.58	4.60	-54.59
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)CCO1	REAL300010779615	0	36	-1.0	-56.67	311.30	2.86	-53.81
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779616	0	35	-1.0	-60.83	323.11	-0.95	-61.78
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779617	0	36	-1.0	-52.18	322.40	4.03	-48.15
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779618	0	38	-1.0	-56.80	333.41	4.91	-51.89
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Br)=C1	REAL300010779619	0	34	-1.0	-49.20	304.53	3.11	-46.09
CC1=CC2=C(C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1)OCO2	REAL300010779620	0	36	-1.0	-47.69	295.78	2.41	-45.28
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779621	0	36	-1.0	-51.12	312.03	4.63	-46.49
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)CCO1	REAL300010779622	0	30	-1.0	-46.96	289.49	4.25	-42.71
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779623	0	36	-1.0	-47.44	295.93	4.91	-42.53
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)CCO1	REAL300010779624	0	30	-1.0	-50.06	291.76	4.32	-45.74
COC1=CC2=C(C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1)OCC(=O)N2	REAL300010779625	0	40	-1.0	-54.75	340.22	0.53	-54.22
O=C([O-])C1CN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCO1	REAL300010779626	0	32	-1.0	-47.67	312.11	4.54	-43.13
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779627	0	28	-1.0	-50.34	278.81	2.98	-47.36
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCO1	REAL300010779628	0	32	-1.0	-45.43	308.39	4.42	-41.01
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCO1	REAL300010779629	0	30	-1.0	-47.50	293.75	4.78	-42.72
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NSN=C32)CCO1	REAL300010779630	0	31	-1.0	-51.59	288.67	1.86	-49.73
COC1=CN=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779631	0	33	-1.0	-50.71	290.80	0.90	-49.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Br)=C2F)CCO1	REAL300010779632	0	30	-1.0	-49.63	288.91	4.02	-45.61
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300010779633	0	40	-1.0	-53.32	348.40	4.16	-49.16
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2Br)CCO1	REAL300010779634	0	30	-1.0	-46.77	291.79	4.32	-42.45
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CCO1	REAL300010779635	0	33	-1.0	-53.60	306.02	4.69	-48.91
CC(=O)NC1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779636	0	33	-1.0	-59.41	310.49	0.95	-58.46
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779636	1	32	-2.0	-95.02	307.19	-0.18	-95.20
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(Br)=C2)CCO1	REAL300010779637	0	33	-1.0	-53.63	310.58	4.80	-48.83
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779638	0	34	-1.0	-52.31	317.59	0.73	-51.58
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779639	0	39	-1.0	-58.87	329.24	5.90	-52.97
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779640	0	38	-1.0	-52.06	323.39	1.52	-50.54
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779641	0	34	-1.0	-52.12	322.16	0.84	-51.28
CCOC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779642	0	37	-1.0	-53.84	317.69	3.66	-50.18
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2O1	REAL300010779643	0	41	-1.0	-54.96	329.03	4.31	-50.65
N#CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010779644	0	34	-1.0	-53.16	322.99	4.62	-48.54
COCCN(CCC#N)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779645	0	39	-1.0	-55.92	334.48	2.77	-53.15
CC1=CC=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779646	0	39	-1.0	-52.17	332.28	5.64	-46.53
COC1=CC=C(Br)C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779647	0	37	-1.0	-53.07	336.36	4.01	-49.06
N#CC1CN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CCO1	REAL300010779648	0	34	-1.0	-52.14	295.23	0.68	-51.46
CCN(CC(C)C#N)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779649	0	38	-1.0	-52.23	316.39	3.62	-48.61
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)CCO1	REAL300010779650	0	33	-1.0	-53.20	290.65	2.08	-51.12
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779651	0	31	-1.0	-50.70	294.67	3.94	-46.76
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779652	0	31	-1.0	-47.94	295.70	4.00	-43.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779653	0	36	-1.0	-46.67	309.31	4.78	-41.89
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)CCO1	REAL300010779654	0	36	-1.0	-56.02	320.83	4.72	-51.30
COCCOCCOCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779655	0	44	-1.0	-55.36	374.01	0.78	-54.58
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779656	0	40	-1.0	-63.16	350.30	0.82	-62.34
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCO1	REAL300010779657	0	30	-1.0	-53.39	286.11	4.21	-49.18
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2CC1	REAL300010779658	0	47	-1.0	-59.92	379.51	5.39	-54.53
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010779659	0	39	-1.0	-55.36	351.27	4.89	-50.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1OC	REAL300010779660	0	40	-1.0	-53.93	354.31	5.10	-48.83
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779661	0	39	-1.0	-51.80	334.86	5.84	-45.96
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779662	0	39	-1.0	-51.55	330.68	5.55	-46.00
CN(C(=O)N1CCOC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300010779663	0	37	-1.0	-61.73	295.85	1.60	-60.13
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779664	0	40	-1.0	-56.00	346.61	2.43	-53.57
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2F)CCO1	REAL300010779665	0	30	-1.0	-48.50	284.42	3.89	-44.61
O=C([O-])C1CN(S(=O)(=O)CCCOCC2=CC=CC=C2)CCO1	REAL300010779666	0	43	-1.0	-54.53	366.31	5.02	-49.51
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010779667	0	39	-1.0	-47.66	356.81	5.34	-42.32
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCO1	REAL300010779668	0	32	-1.0	-53.90	308.72	5.11	-48.79
O=C([O-])C1CN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CCO1	REAL300010779669	0	39	-1.0	-60.98	327.54	0.62	-60.36
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779670	0	38	-1.0	-53.01	327.90	4.70	-48.31
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1OC	REAL300010779671	0	41	-1.0	-58.79	355.97	3.26	-55.53
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(F)C=C1C	REAL300010779672	0	42	-1.0	-49.24	360.32	5.49	-43.75
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779673	0	44	-1.0	-63.12	377.88	1.64	-61.48
COCC1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779674	0	41	-1.0	-53.65	344.69	3.02	-50.63
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779675	0	43	-1.0	-57.81	366.12	4.88	-52.93
CCOC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C	REAL300010779676	0	42	-1.0	-48.96	359.03	5.55	-43.41
O=C([O-])C1CN(S(=O)(=O)C2=CSC3=CC=CC=C32)CCO1	REAL300010779677	0	33	-1.0	-50.95	296.43	4.58	-46.37
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779678	0	42	-1.0	-57.74	365.15	5.79	-51.95
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779679	0	36	-1.0	-46.29	323.92	5.22	-41.07
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CCO1	REAL300010779680	0	33	-1.0	-49.36	305.78	5.18	-44.18
CC(COC1CCCC1)CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779681	0	46	-1.0	-51.84	366.34	4.82	-47.02
CC1=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=N1	REAL300010779682	0	35	-1.0	-52.08	315.16	2.66	-49.42
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CCO1	REAL300010779683	0	36	-1.0	-52.27	328.37	5.45	-46.82
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779684	0	39	-1.0	-53.52	344.31	4.94	-48.58
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCO1	REAL300010779685	0	40	-1.0	-54.09	340.53	6.85	-47.24
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779686	0	44	-1.0	-54.42	385.50	1.22	-53.20
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2Br)CCO1	REAL300010779687	0	33	-1.0	-50.63	306.85	4.72	-45.91
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1C	REAL300010779688	0	42	-1.0	-51.55	367.55	4.67	-46.88
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300010779689	0	36	-1.0	-53.32	336.87	1.37	-51.95
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CCO1	REAL300010779690	0	34	-1.0	-52.28	314.05	4.30	-47.98
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CCO1	REAL300010779691	0	33	-1.0	-50.62	298.54	4.31	-46.31
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779692	0	32	-1.0	-48.73	282.16	2.33	-46.40
CC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(Br)N1C	REAL300010779693	0	33	-1.0	-56.53	306.48	2.86	-53.67
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CCO1	REAL300010779694	0	31	-1.0	-47.71	288.93	2.30	-45.41
COC(=O)C(C)(C)CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779695	0	38	-1.0	-51.30	314.44	3.38	-47.92
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779696	0	43	-1.0	-62.80	360.30	4.30	-58.50
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCO1	REAL300010779697	0	33	-2.0	-90.60	306.29	3.06	-87.54
O=C([O-])C1CN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)CCO1	REAL300010779697	1	34	-1.0	-46.89	304.44	2.55	-44.34
CCOC(=O)CC1(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779698	0	39	-1.0	-58.18	328.52	5.06	-53.12
N#CC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300010779699	0	31	-1.0	-46.65	308.12	4.26	-42.39
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779700	0	41	-1.0	-54.54	359.70	2.83	-51.71
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010779701	0	45	-1.0	-49.19	379.28	6.26	-42.93
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779702	0	42	-1.0	-56.68	370.02	2.66	-54.02
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)CCO1	REAL300010779703	0	35	-1.0	-50.52	312.76	0.65	-49.87
COC(=O)C1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCCC1	REAL300010779704	0	42	-1.0	-54.27	340.36	4.58	-49.69
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CCO1	REAL300010779705	0	29	-1.0	-47.08	297.63	2.63	-44.45
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779706	0	37	-1.0	-50.53	338.11	3.66	-46.87
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010779707	0	36	-1.0	-48.02	320.76	4.95	-43.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCO1	REAL300010779708	0	41	-1.0	-49.78	371.08	6.83	-42.95
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779709	0	39	-1.0	-57.68	343.29	4.88	-52.80
O=C([O-])C1CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CCO1	REAL300010779710	0	32	-1.0	-55.76	294.53	3.10	-52.66
O=C([O-])C1CN(S(=O)(=O)CC23CCC(CC2)C3)CCO1	REAL300010779711	0	40	-1.0	-50.62	315.21	4.84	-45.78
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2Br)CCO1	REAL300010779712	0	36	-1.0	-50.03	327.79	5.38	-44.65
COC(=O)C1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCC1	REAL300010779713	0	39	-1.0	-54.13	328.59	3.82	-50.31
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCO1	REAL300010779714	0	30	-1.0	-49.37	298.91	3.64	-45.73
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779715	0	34	-1.0	-52.31	314.28	4.49	-47.82
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779716	0	43	-1.0	-56.98	376.16	3.79	-53.19
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779717	0	46	-1.0	-56.89	398.02	4.72	-52.17
COC(=O)C1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCCCC1	REAL300010779718	0	45	-1.0	-56.50	347.76	5.54	-50.96
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN=C1C	REAL300010779719	0	38	-1.0	-49.46	332.57	2.79	-46.67
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CCO1	REAL300010779720	0	34	-1.0	-48.84	314.11	3.21	-45.63
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779721	0	39	-1.0	-48.38	359.68	5.52	-42.86
N#CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779722	0	31	-1.0	-47.86	293.04	3.87	-43.99
O=C([O-])C1CN(S(=O)(=O)CCC2CCOCC2)CCO1	REAL300010779723	0	40	-1.0	-52.42	322.70	2.75	-49.67
O=C([O-])C1CN(S(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CCO1	REAL300010779724	0	46	-1.0	-59.51	398.62	5.33	-54.18
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779725	0	33	-1.0	-49.23	295.16	4.08	-45.15
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CCO1	REAL300010779726	0	32	-1.0	-47.21	307.71	2.89	-44.32
O=C([O-])C1CN(S(=O)(=O)CC23CCC(CC2)CC3)CCO1	REAL300010779727	0	43	-1.0	-50.39	323.81	5.46	-44.93
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCO1	REAL300010779728	0	39	-1.0	-49.73	331.16	5.05	-44.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CCO1	REAL300010779729	0	31	-1.0	-57.52	298.33	2.76	-54.76
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)CCO1	REAL300010779730	0	36	-1.0	-53.03	322.32	5.03	-48.00
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010779731	0	33	-1.0	-50.31	305.66	2.10	-48.21
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCO1	REAL300010779732	0	32	-1.0	-49.33	303.32	5.61	-43.72
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(F)C=C1C	REAL300010779733	0	39	-1.0	-51.03	338.45	4.54	-46.49
CC1=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010779734	0	38	-1.0	-49.14	342.81	4.84	-44.30
O=C([O-])C1CN(S(=O)(=O)CC2CCCCC2(F)F)CCO1	REAL300010779735	0	39	-1.0	-50.76	319.43	4.60	-46.16
O=C([O-])C1CN(S(=O)(=O)CCOCC2=CC=CC=C2)CCO1	REAL300010779736	0	40	-1.0	-52.26	344.81	4.24	-48.02
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300010779737	0	57	-1.0	-49.77	422.28	9.25	-40.52
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CCO1	REAL300010779738	0	35	-1.0	-52.89	315.75	4.89	-48.00
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779739	0	42	-1.0	-53.36	366.81	5.74	-47.62
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779740	0	35	-1.0	-58.05	303.41	3.16	-54.89
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779741	0	37	-1.0	-48.90	334.86	3.73	-45.17
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CCO1	REAL300010779742	0	37	-1.0	-50.73	314.90	5.56	-45.17
COC1=CC=C2C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)CCC2=C1	REAL300010779743	0	42	-1.0	-51.78	350.26	5.15	-46.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)CCO1	REAL300010779744	0	38	-1.0	-51.48	326.20	4.44	-47.04
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCO1	REAL300010779745	0	33	-1.0	-48.65	302.51	3.91	-44.74
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCO1	REAL300010779746	0	33	-1.0	-50.89	318.06	5.33	-45.56
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Br)C(F)=C2)CCO1	REAL300010779747	0	33	-1.0	-52.01	316.38	4.85	-47.16
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779748	0	39	-1.0	-64.59	349.98	1.70	-62.89
O=C([O-])C1CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CCO1	REAL300010779749	0	33	-1.0	-54.78	292.51	3.75	-51.03
O=C([O-])C1CN(S(=O)(=O)CCC2CCCCC2)CCO1	REAL300010779750	0	42	-1.0	-51.16	331.65	5.14	-46.02
CC1=CC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C=C1	REAL300010779751	0	39	-1.0	-51.93	332.83	6.39	-45.54
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CS2)CCO1	REAL300010779752	0	27	-1.0	-48.35	270.36	3.04	-45.31
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779753	0	39	-1.0	-51.56	338.11	4.82	-46.74
O=C(COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1)NC1CC1	REAL300010779754	0	45	-1.0	-60.47	387.95	4.00	-56.47
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779755	0	43	-1.0	-54.50	362.09	3.83	-50.67
O=C([O-])C1CN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)CCO1	REAL300010779756	0	33	-1.0	-54.43	308.30	4.67	-49.76
O=C([O-])C1CN(S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CCO1	REAL300010779757	0	36	-1.0	-56.55	312.50	5.59	-50.96
CCC1=CC(CC)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(CC)=C1	REAL300010779758	0	48	-1.0	-50.50	365.66	7.74	-42.76
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCOC3=C2)CCO1	REAL300010779759	0	35	-1.0	-50.29	302.11	3.28	-47.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCO1	REAL300010779760	0	37	-1.0	-51.74	322.34	3.19	-48.55
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CCO1	REAL300010779761	0	32	-1.0	-54.09	314.47	3.36	-50.73
COC1=CC(OC)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779762	0	38	-1.0	-48.52	335.07	3.17	-45.35
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCO1	REAL300010779763	0	38	-1.0	-54.06	337.48	2.00	-52.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779764	0	35	-1.0	-56.15	320.59	-1.61	-57.76
CC(C)(CCS(=O)(=O)N1CCOC(C(=O)[O-])C1)S(C)(=O)=O	REAL300010779765	0	41	-1.0	-59.25	338.77	0.57	-58.68
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300010779766	0	34	-1.0	-49.06	311.86	3.30	-45.76
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CCO1	REAL300010779767	0	33	-1.0	-51.08	299.38	0.87	-50.21
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779768	0	43	-1.0	-55.89	358.71	4.46	-51.43
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCC3)CCO1	REAL300010779769	0	35	-1.0	-54.54	299.92	3.35	-51.19
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010779770	0	39	-1.0	-48.41	332.81	6.36	-42.05
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCO1	REAL300010779771	0	34	-1.0	-45.30	305.84	3.62	-41.68
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCO1	REAL300010779772	0	34	-1.0	-45.39	316.20	4.07	-41.32
COC(=O)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779773	0	39	-1.0	-57.18	348.71	4.92	-52.26
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779774	0	43	-1.0	-52.50	359.73	4.68	-47.82
COC(CC(C)C)CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779775	0	42	-1.0	-51.12	336.20	3.19	-47.93
COC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779776	0	34	-1.0	-52.62	296.02	3.36	-49.26
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)CCO1	REAL300010779777	0	33	-1.0	-50.09	324.29	5.26	-44.83
O=C([O-])C1CN(S(=O)(=O)CCCC2CCOC2)CCO1	REAL300010779778	0	40	-1.0	-52.93	326.32	2.74	-50.19
O=C([O-])C1CN(S(=O)(=O)CC2=CC(Cl)=CC=C2Br)CCO1	REAL300010779779	0	33	-1.0	-50.80	323.50	5.23	-45.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CCO1	REAL300010779780	0	33	-1.0	-46.49	305.90	2.53	-43.96
CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010779781	0	38	-1.0	-57.77	328.88	5.28	-52.49
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779782	0	46	-1.0	-52.87	365.80	5.61	-47.26
N#CCC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779783	0	37	-1.0	-57.31	332.38	5.32	-51.99
COC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779784	0	34	-1.0	-53.75	295.84	2.74	-51.01
COC1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779785	0	33	-1.0	-48.94	309.58	0.67	-48.27
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300010779786	0	39	-1.0	-51.93	344.26	4.95	-46.98
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779787	0	39	-1.0	-52.04	360.14	5.08	-46.96
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CCO1	REAL300010779788	0	33	-1.0	-50.93	306.87	4.68	-46.25
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300010779789	0	33	-1.0	-48.29	301.79	4.54	-43.75
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCO1	REAL300010779790	0	36	-1.0	-53.04	314.42	4.41	-48.63
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=N1	REAL300010779791	0	39	-1.0	-52.64	351.91	4.94	-47.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010779792	0	36	-1.0	-58.11	337.34	4.48	-53.63
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779793	0	39	-1.0	-52.86	342.71	4.64	-48.22
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779794	0	37	-1.0	-50.40	317.02	3.68	-46.72
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779795	0	36	-1.0	-51.91	322.50	5.33	-46.58
O=C([O-])C1CN(S(=O)(=O)CCCC2CCOCC2)CCO1	REAL300010779796	0	43	-1.0	-52.89	344.20	3.52	-49.37
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)CCO1	REAL300010779797	0	45	-1.0	-49.17	380.96	1.24	-47.93
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CCO1	REAL300010779798	0	38	-1.0	-52.84	311.00	4.61	-48.23
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCO1	REAL300010779799	0	37	-1.0	-59.05	331.42	1.31	-57.74
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2)CCO1	REAL300010779800	0	30	-1.0	-50.06	288.92	4.01	-46.05
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC(Br)=C1	REAL300010779801	0	30	-1.0	-48.65	297.97	3.90	-44.75
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CCO1	REAL300010779802	0	39	-1.0	-55.44	323.09	3.81	-51.63
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779803	0	40	-1.0	-52.51	334.77	2.05	-50.46
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C(F)C=C2)CCO1	REAL300010779804	0	36	-1.0	-52.54	317.28	5.03	-47.51
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2F)CCO1	REAL300010779805	0	36	-1.0	-50.96	317.21	4.97	-45.99
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2Cl)CCO1	REAL300010779806	0	36	-1.0	-50.24	324.26	5.31	-44.93
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779807	0	34	-1.0	-49.68	316.58	3.97	-45.71
COC1=CC2=C(C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1)C(=O)NCCC2	REAL300010779808	0	45	-1.0	-54.54	365.56	2.36	-52.18
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)S2)C1	REAL300010779809	0	41	-1.0	-56.17	356.66	3.91	-52.26
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010779810	0	37	-1.0	-51.46	340.43	5.83	-45.63
COC1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779811	0	39	-1.0	-50.99	316.66	1.64	-49.35
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CCOC1	REAL300010779812	0	41	-1.0	-54.14	329.86	1.49	-52.65
O=C([O-])C1CN(S(=O)(=O)CC2=CC(F)=CC=C2Br)CCO1	REAL300010779813	0	33	-1.0	-50.96	313.17	4.79	-46.17
O=C([O-])C1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CCO1	REAL300010779814	0	33	-1.0	-51.47	309.94	4.67	-46.80
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CCO1	REAL300010779815	0	30	-1.0	-46.88	304.33	4.56	-42.32
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779816	0	37	-1.0	-62.29	322.23	0.86	-61.43
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779817	0	55	-1.0	-49.87	446.01	8.39	-41.48
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779818	0	45	-1.0	-53.40	375.53	5.80	-47.60
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)CCO1	REAL300010779819	0	30	-1.0	-49.85	293.34	4.10	-45.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779820	0	36	-1.0	-55.08	325.64	4.12	-50.96
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010779821	0	44	-1.0	-50.72	374.53	6.50	-44.22
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCO1	REAL300010779822	0	44	-1.0	-54.84	383.81	6.79	-48.05
O=C([O-])C1CN(S(=O)(=O)C2=NC=CC=C2Br)CCO1	REAL300010779823	0	29	-1.0	-53.26	278.88	2.26	-51.00
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2)=N1	REAL300010779824	0	42	-1.0	-50.24	348.19	2.87	-47.37
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010779825	0	40	-1.0	-53.17	348.19	4.55	-48.62
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)CCO1	REAL300010779826	0	42	-1.0	-53.97	349.58	4.91	-49.06
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N(C)N=C1	REAL300010779827	0	36	-1.0	-54.88	309.12	2.27	-52.61
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300010779828	0	38	-1.0	-50.15	347.32	2.29	-47.86
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C12	REAL300010779829	0	42	-1.0	-52.93	352.21	6.32	-46.61
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779830	0	41	-1.0	-51.90	352.02	2.63	-49.27
CCOC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CC1	REAL300010779831	0	40	-1.0	-51.65	330.14	3.97	-47.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010779832	0	36	-1.0	-58.07	327.01	4.04	-54.03
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C(Cl)C=C21	REAL300010779833	0	41	-1.0	-56.86	352.05	4.78	-52.08
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779834	0	43	-1.0	-54.13	356.37	5.10	-49.03
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CCCC1	REAL300010779835	0	43	-1.0	-49.75	340.77	3.72	-46.03
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CCCCC1	REAL300010779836	0	46	-1.0	-52.16	359.04	4.63	-47.53
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)CCO1	REAL300010779837	0	33	-1.0	-49.10	306.05	2.94	-46.16
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300010779838	0	49	-1.0	-50.49	397.79	6.49	-44.00
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CCO1	REAL300010779839	0	33	-1.0	-60.37	313.71	3.18	-57.19
COC1=CC(F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779840	0	34	-1.0	-48.54	296.00	3.37	-45.17
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010779841	0	38	-1.0	-54.91	318.10	5.28	-49.63
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779842	0	37	-1.0	-48.43	309.69	3.22	-45.21
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCO1	REAL300010779843	0	43	-1.0	-48.71	364.97	5.64	-43.07
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300010779844	0	36	-1.0	-47.90	323.78	2.82	-45.08
CCC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1CC1CC1	REAL300010779845	0	43	-1.0	-57.24	360.70	5.24	-52.00
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C1	REAL300010779846	0	41	-1.0	-54.38	351.31	4.01	-50.37
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779847	0	33	-1.0	-45.96	306.70	2.07	-43.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCO1	REAL300010779848	0	41	-1.0	-49.51	366.94	7.54	-41.97
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779849	0	33	-1.0	-48.87	297.02	4.43	-44.44
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCO1	REAL300010779850	0	40	-1.0	-55.25	326.82	6.89	-48.36
CC1=CC=C(Br)C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779851	0	36	-1.0	-52.92	328.35	5.38	-47.54
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779852	0	37	-1.0	-55.01	334.26	4.12	-50.89
O=C([O-])C1CN(S(=O)(=O)CCC2=C(F)C=CC=C2F)CCO1	REAL300010779853	0	36	-1.0	-53.81	321.41	5.02	-48.79
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1F	REAL300010779854	0	33	-1.0	-57.47	294.32	4.06	-53.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)N=C2F)CCO1	REAL300010779855	0	29	-1.0	-54.89	284.30	1.98	-52.91
CC(C)OC1=CN=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779856	0	39	-1.0	-47.82	330.75	2.49	-45.33
O=C([O-])C1CN(S(=O)(=O)C2=CC=CN=C2OCC(F)F)CCO1	REAL300010779857	0	36	-1.0	-53.73	321.42	1.87	-51.86
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)CCO1	REAL300010779858	0	37	-1.0	-50.51	341.60	2.75	-47.76
COC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)OC=C1	REAL300010779859	0	33	-1.0	-54.54	299.70	2.82	-51.72
CCC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)C=C1OC	REAL300010779860	0	43	-1.0	-51.08	341.19	4.55	-46.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCO1	REAL300010779861	0	36	-1.0	-48.63	336.88	5.33	-43.30
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779862	0	38	-1.0	-51.68	336.81	4.42	-47.26
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300010779863	0	32	-1.0	-59.56	290.01	2.25	-57.31
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779864	0	33	-1.0	-48.52	306.14	4.84	-43.68
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010779865	0	39	-1.0	-55.12	315.54	6.48	-48.64
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)CCO1	REAL300010779866	0	37	-1.0	-47.16	324.47	3.26	-43.90
N#CCC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779867	0	34	-1.0	-56.81	294.91	4.64	-52.17
CC1=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2NC1=O	REAL300010779868	0	39	-1.0	-52.47	337.83	3.20	-49.27
CN1N=NC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779869	0	35	-1.0	-57.73	310.17	1.89	-55.84
CC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010779870	0	39	-1.0	-55.00	348.96	4.82	-50.18
O=C([O-])C1CN(S(=O)(=O)C2=CNN=C2C(F)(F)F)CCO1	REAL300010779871	0	30	-1.0	-51.05	282.64	0.77	-50.28
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010779872	0	35	-1.0	-46.22	314.67	4.67	-41.55
O=C([O-])C1CN(S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)CCO1	REAL300010779873	0	36	-1.0	-50.57	319.65	4.63	-45.94
O=C([O-])C1CN(S(=O)(=O)CCC[NH+]2CCCC2)CCO1	REAL300010779874	0	42	0.0	-77.04	333.29	4.32	-72.72
C[NH+]1CCN(CCCS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779875	0	47	0.0	-77.20	367.41	2.68	-74.52
CN1CCN(CCCS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779875	1	46	-1.0	-51.41	364.11	0.15	-51.26
CN1N=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1Br	REAL300010779876	0	30	-1.0	-49.17	280.78	1.25	-47.92
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779877	0	34	-1.0	-54.84	293.23	4.35	-50.49
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300010779878	0	39	-1.0	-48.74	335.51	2.00	-46.74
CCCCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=N1	REAL300010779879	0	42	-1.0	-50.88	344.92	3.90	-46.98
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(OC)C=C1F	REAL300010779880	0	40	-1.0	-52.99	348.76	3.98	-49.01
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779881	0	40	-1.0	-58.70	336.57	4.35	-54.35
COC1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779882	0	34	-1.0	-53.54	297.66	3.49	-50.05
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300010779883	0	46	-1.0	-50.89	376.29	5.69	-45.20
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779884	0	42	-1.0	-47.34	344.55	5.69	-41.65
N#CC1=CC(F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779885	0	31	-1.0	-49.86	293.55	3.88	-45.98
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(F)C=C2Cl)CCO1	REAL300010779886	0	33	-1.0	-50.37	309.38	4.71	-45.66
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCO1	REAL300010779887	0	49	-1.0	-52.50	391.22	8.00	-44.50
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC=CC=C32)CCO1	REAL300010779888	0	34	-1.0	-56.99	296.19	3.28	-53.71
O=C([O-])C1CN(S(=O)(=O)C2=C(Br)NC=N2)CCO1	REAL300010779889	0	27	-1.0	-51.50	265.23	1.42	-50.08
O=C([O-])C1CN(S(=O)(=O)CCC2=NOC3=CC=CC=C32)CCO1	REAL300010779890	0	38	-1.0	-58.21	334.23	4.31	-53.90
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCO1	REAL300010779891	0	29	-1.0	-46.75	284.66	2.36	-44.39
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)N=C2F)CCO1	REAL300010779892	0	29	-1.0	-54.98	279.69	1.90	-53.08
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)N=C2F)CCO1	REAL300010779893	0	29	-1.0	-55.62	269.21	1.40	-54.22
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779894	0	33	-1.0	-47.89	308.76	1.27	-46.62
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)CCO1	REAL300010779895	0	35	-1.0	-49.96	321.72	4.28	-45.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)CCO1	REAL300010779896	0	32	-1.0	-49.91	306.05	3.31	-46.60
O=C([O-])C1CN(S(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)CCO1	REAL300010779897	0	40	-1.0	-54.34	350.60	4.08	-50.26
O=C([O-])C1CN(S(=O)(=O)N=S2(=O)CCCC2)CCO1	REAL300010779898	0	34	-1.0	-68.38	296.79	0.62	-67.76
CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1(Cl)Cl	REAL300010779899	0	33	-1.0	-54.28	303.75	4.21	-50.07
O=C([O-])C1CN(S(=O)(=O)CC2=C(Br)SC=N2)CCO1	REAL300010779900	0	29	-1.0	-52.89	293.87	1.83	-51.06
CCS(=O)(CC)=NS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779901	0	36	-1.0	-69.07	310.03	1.03	-68.04
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010779902	0	32	-1.0	-53.61	298.17	4.58	-49.03
O=C([O-])C1CN(S(=O)(=O)C2CC(=O)N(C3CC3)C2)CCO1	REAL300010779903	0	38	-1.0	-56.87	318.44	2.80	-54.07
CCN1CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1=O	REAL300010779904	0	37	-1.0	-56.84	313.67	2.19	-54.65
CCOC(=O)C1(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CCC1	REAL300010779905	0	39	-1.0	-58.39	320.38	3.92	-54.47
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300010779906	0	41	-1.0	-58.30	351.08	0.05	-58.25
O=C([O-])C1CN(S(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)CCO1	REAL300010779907	0	31	-1.0	-47.48	311.47	2.55	-44.93
COC(=O)C1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779908	0	39	-1.0	-53.61	344.95	4.82	-48.79
O=C([O-])C1CN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCO1	REAL300010779909	0	33	-1.0	-51.01	317.48	4.42	-46.59
CN1N=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010779910	0	33	-1.0	-49.44	299.88	1.82	-47.62
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779911	0	40	-1.0	-49.22	321.46	3.36	-45.86
O=C([O-])C1CN(S(=O)(=O)C2=CSC=C2Br)CCO1	REAL300010779912	0	27	-1.0	-48.51	266.67	2.65	-45.86
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010779913	0	42	-1.0	-50.33	335.09	3.70	-46.63
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CCO1	REAL300010779914	0	40	-1.0	-52.62	333.73	3.80	-48.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779915	0	33	-1.0	-50.84	292.91	2.18	-48.66
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Br)=N1	REAL300010779916	0	30	-1.0	-49.90	282.89	1.31	-48.59
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)CCO1	REAL300010779917	0	32	-1.0	-48.71	301.85	2.46	-46.25
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779918	0	37	-1.0	-53.59	324.71	3.58	-50.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)CCO1	REAL300010779919	0	44	-1.0	-53.12	371.47	4.67	-48.45
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300010779920	0	30	-2.0	-91.85	273.81	2.11	-89.74
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2O)CCO1	REAL300010779920	1	31	-1.0	-47.44	272.11	1.61	-45.83
C=CCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779921	0	40	-1.0	-49.98	343.55	6.22	-43.76
COC(=O)C1=CNN=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779922	0	33	-1.0	-59.61	298.61	1.01	-58.60
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779923	0	33	-1.0	-48.41	306.15	4.84	-43.57
CCC1=NN(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779924	0	36	-1.0	-52.78	302.99	2.16	-50.62
CC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779925	0	35	-1.0	-59.84	313.62	4.01	-55.83
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779926	0	39	-1.0	-68.32	329.19	1.47	-66.85
CCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300010779927	0	52	-1.0	-50.49	419.29	7.27	-43.22
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C#N)=C1	REAL300010779928	0	34	-1.0	-49.25	295.90	4.05	-45.20
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779929	0	34	-1.0	-51.35	291.18	4.35	-47.00
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)CCO1	REAL300010779930	0	33	-1.0	-52.65	305.53	4.39	-48.26
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)CCO1	REAL300010779931	0	41	-1.0	-53.56	346.04	3.76	-49.80
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCO1	REAL300010779932	0	34	-1.0	-50.28	314.27	5.17	-45.11
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010779933	0	52	-1.0	-50.75	410.35	7.16	-43.59
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1CC	REAL300010779934	0	46	-1.0	-49.22	380.88	5.95	-43.27
N#CCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300010779935	0	37	-1.0	-55.04	330.09	5.40	-49.64
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779936	0	36	-1.0	-47.43	306.28	5.35	-42.08
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779937	0	44	-1.0	-63.74	363.19	3.21	-60.53
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)CCO1	REAL300010779938	0	33	-1.0	-54.96	320.91	5.20	-49.76
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(F)=C2Br)CCO1	REAL300010779939	0	33	-1.0	-55.92	311.79	4.79	-51.13
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)CCO1	REAL300010779940	0	40	-1.0	-58.60	347.73	5.39	-53.21
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779941	0	36	-1.0	-51.84	326.33	5.39	-46.45
CC1=CN=C(Cl)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779942	0	32	-1.0	-49.64	289.36	2.51	-47.13
COC1=CC=C(Br)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1F	REAL300010779943	0	34	-1.0	-51.38	311.66	3.55	-47.83
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779944	0	40	-1.0	-51.65	340.79	5.76	-45.89
CC(C)(CCS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CC1	REAL300010779945	0	42	-1.0	-50.15	330.66	4.86	-45.29
CCOC(=O)C1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N(C)N=C1	REAL300010779946	0	39	-1.0	-55.13	330.99	3.20	-51.93
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CCO1	REAL300010779947	0	34	-1.0	-50.97	311.78	5.08	-45.89
CC(F)(F)CCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779948	0	35	-1.0	-55.00	304.99	3.63	-51.37
O=C([O-])C1CN(S(=O)(=O)CCCC2=CC=CC=C2)CCO1	REAL300010779949	0	39	-1.0	-53.26	332.28	5.74	-47.52
O=C([O-])C1CN(S(=O)(=O)C2=C3OCCCN3N=C2)CCO1	REAL300010779950	0	35	-1.0	-51.93	302.68	0.38	-51.55
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010779951	0	34	-1.0	-47.56	296.10	-1.29	-48.85
CCCC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779952	0	39	-1.0	-50.80	315.06	5.88	-44.92
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010779953	0	42	-1.0	-56.75	372.00	5.09	-51.66
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779954	0	43	-1.0	-52.88	363.56	4.12	-48.76
O=C([O-])C1CN(S(=O)(=O)CC2=NOC3=C2CCCC3)CCO1	REAL300010779955	0	39	-1.0	-56.40	328.52	4.16	-52.24
O=C([O-])C1CN(S(=O)(=O)C2=CSC=C2C(F)F)CCO1	REAL300010779956	0	30	-1.0	-51.83	283.82	3.50	-48.33
COC(=O)C1=CC=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779957	0	35	-1.0	-54.08	317.32	2.21	-51.87
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC(F)=C2)CCO1	REAL300010779958	0	36	-1.0	-53.13	318.05	5.01	-48.12
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779959	0	46	-1.0	-49.53	379.86	6.24	-43.29
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CCO1	REAL300010779960	0	35	-1.0	-54.60	297.23	4.02	-50.58
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300010779961	0	50	-1.0	-56.64	391.78	5.85	-50.79
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779962	0	37	-1.0	-50.09	326.75	3.70	-46.39
N#CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=CS1	REAL300010779963	0	28	-1.0	-58.11	269.06	2.50	-55.61
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779964	0	44	-1.0	-51.98	361.94	3.52	-48.46
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)CCO1	REAL300010779965	0	45	-1.0	-69.52	377.01	6.08	-63.44
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779966	0	44	-1.0	-58.74	367.14	5.36	-53.38
COC1=NC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779967	0	33	-1.0	-52.69	287.44	0.68	-52.01
CCC1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779968	0	41	-1.0	-49.47	323.27	3.89	-45.58
O=C([O-])C1CCN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300010779969	0	37	-2.0	-108.11	310.43	3.06	-105.05
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CCO1	REAL300010779970	0	37	-1.0	-49.39	316.23	3.13	-46.26
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2CCC2)CCO1	REAL300010779971	0	37	-1.0	-48.78	312.01	3.22	-45.56
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)CCO1	REAL300010779972	0	40	-1.0	-48.61	328.93	3.83	-44.78
COC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010779973	0	42	-1.0	-51.78	351.73	6.32	-45.46
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779974	0	43	-1.0	-57.47	366.09	4.87	-52.60
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779975	0	40	-1.0	-56.79	336.79	4.29	-52.50
CC1(C)COC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=NN2C1	REAL300010779976	0	41	-1.0	-51.44	340.72	1.46	-49.98
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCO1	REAL300010779977	0	36	-1.0	-51.32	332.38	4.36	-46.96
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)CCO1	REAL300010779978	0	36	-1.0	-50.93	317.05	0.67	-50.26
O=C([O-])C1CN(S(=O)(=O)C2=C(Br)C=CO2)CCO1	REAL300010779979	0	27	-1.0	-49.58	268.09	2.13	-47.45
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3CCCCN32)CCO1	REAL300010779980	0	37	-1.0	-53.36	307.46	3.36	-50.00
COC1=C(F)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779981	0	34	-1.0	-48.66	311.54	3.01	-45.65
COC1=CC(F)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300010779982	0	34	-1.0	-49.36	303.39	2.74	-46.62
CCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300010779983	0	55	-1.0	-50.50	440.79	8.05	-42.45
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300010779984	0	46	-1.0	-51.52	365.09	5.47	-46.05
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779985	0	40	-1.0	-51.87	332.31	4.82	-47.05
CC1=CSC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779986	0	33	-1.0	-49.43	286.41	4.07	-45.36
CC1CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2O1	REAL300010779987	0	38	-1.0	-54.95	321.03	4.12	-50.83
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300010779988	0	38	-1.0	-50.06	334.21	3.12	-46.94
N#CC1(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300010779989	0	38	-1.0	-52.88	333.91	5.67	-47.21
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779990	0	34	-1.0	-50.53	302.76	4.08	-46.45
CC1=C(Br)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)S1	REAL300010779991	0	33	-1.0	-47.53	308.75	4.84	-42.69
CC1=CC(Cl)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(Br)=C1	REAL300010779992	0	33	-1.0	-50.02	308.82	5.35	-44.67
CCC1=CN=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300010779993	0	35	-1.0	-51.22	303.48	3.07	-48.15
COC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=N1	REAL300010779994	0	35	-1.0	-56.77	317.28	2.29	-54.48
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779995	0	47	-1.0	-58.68	376.34	5.55	-53.13
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCO1	REAL300010779996	0	36	-1.0	-51.58	317.28	3.96	-47.62
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300010779997	0	44	-1.0	-58.08	365.88	5.06	-53.02
O=C([O-])C1CN(S(=O)(=O)C2=CSC=C2Cl)CCO1	REAL300010779998	0	27	-1.0	-48.56	264.68	2.61	-45.95
CN1N=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300010779999	0	30	-1.0	-46.33	287.25	1.61	-44.72
O=C([O-])C1CN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)CCO1	REAL300010780000	0	32	-1.0	-48.59	300.37	2.62	-45.97
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1F	REAL300010780760	0	35	-1.0	-46.36	288.86	3.58	-42.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010780761	0	35	-1.0	-49.11	311.90	4.39	-44.72
COC(=O)C1CCCCC1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780762	0	40	-1.0	-44.74	312.39	5.38	-39.36
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780763	0	43	-1.0	-50.83	346.81	5.35	-45.48
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780764	0	36	-1.0	-41.44	315.56	6.07	-35.37
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780765	0	35	-1.0	-51.98	303.92	2.66	-49.32
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780766	0	36	-1.0	-47.43	297.02	5.36	-42.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010780767	0	33	-1.0	-44.56	302.56	4.40	-40.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010780768	0	28	-1.0	-41.19	275.32	4.95	-36.24
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)O1	REAL300010780769	0	25	-1.0	-47.61	252.49	2.56	-45.05
COC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780770	0	32	-1.0	-43.19	299.73	3.72	-39.47
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1C	REAL300010780771	0	38	-1.0	-55.70	331.63	4.93	-50.77
CC(C(=O)[O-])N(C)S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010780772	0	41	-1.0	-63.35	360.15	4.95	-58.40
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300010780773	0	35	-1.0	-48.57	309.34	1.54	-47.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010780774	0	40	-1.0	-46.12	331.75	5.32	-40.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010780775	0	35	-1.0	-45.80	307.01	5.45	-40.35
CSC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780776	0	32	-1.0	-48.55	303.83	5.37	-43.18
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780777	0	30	-1.0	-40.96	286.83	4.22	-36.74
CC(C(=O)[O-])N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010780778	0	38	-1.0	-64.01	330.82	0.42	-63.59
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN=C1Cl	REAL300010780779	0	31	-1.0	-41.10	290.29	1.83	-39.27
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300010780780	0	37	-1.0	-52.40	324.30	4.77	-47.63
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010780781	0	43	-1.0	-52.36	362.37	4.34	-48.02
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780782	0	46	0.0	-80.90	364.91	5.09	-75.81
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780783	0	31	-1.0	-40.09	273.56	4.83	-35.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010780784	0	32	-1.0	-51.70	279.78	3.77	-47.93
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780785	0	34	-1.0	-43.20	314.70	4.86	-38.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010780786	0	28	-1.0	-38.71	286.66	5.09	-33.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010780787	0	28	-1.0	-44.94	269.71	4.36	-40.58
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780788	0	36	-1.0	-51.65	302.22	4.30	-47.35
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300010780789	0	55	-1.0	-50.09	435.44	8.45	-41.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010780790	0	37	-1.0	-51.80	309.36	5.24	-46.56
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780791	0	42	-1.0	-45.43	362.27	4.96	-40.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010780792	0	29	-1.0	-41.68	273.37	4.44	-37.24
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010780793	0	31	-1.0	-47.18	291.64	2.96	-44.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010780794	0	43	-1.0	-57.43	346.85	5.03	-52.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010780795	0	34	-1.0	-44.05	314.74	6.73	-37.32
COC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780796	0	31	-1.0	-37.47	313.34	4.21	-33.26
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780797	0	36	-1.0	-48.69	314.74	2.00	-46.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010780799	0	31	-1.0	-40.13	304.39	5.31	-34.82
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780800	0	39	-1.0	-48.44	320.82	2.66	-45.78
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780801	0	33	-1.0	-36.95	296.88	5.30	-31.65
COC1=C(F)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780802	0	34	-1.0	-43.22	312.41	4.62	-38.60
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780803	0	38	-1.0	-49.65	339.32	3.25	-46.40
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010780804	0	39	-1.0	-56.83	347.02	5.64	-51.19
COC1=CC=C(CCS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780805	0	38	-1.0	-43.54	322.41	4.70	-38.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010780806	0	46	-1.0	-44.91	380.19	6.40	-38.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010780807	0	43	-1.0	-43.49	360.33	5.14	-38.35
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010780808	0	39	-1.0	-44.70	330.63	5.22	-39.48
CC1=CC=NC2=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CC=C12	REAL300010780809	0	36	-1.0	-54.12	300.02	5.48	-48.64
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010780810	0	36	-1.0	-43.02	320.10	3.66	-39.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010780811	0	31	-1.0	-44.22	287.28	4.79	-39.43
CC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780812	0	31	-1.0	-41.79	291.63	5.08	-36.71
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300010780813	0	35	-1.0	-51.34	323.04	3.49	-47.85
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010780814	0	39	-1.0	-57.00	328.50	3.84	-53.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010780815	0	40	-1.0	-60.65	331.29	3.62	-57.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010780816	0	34	-1.0	-43.49	329.90	1.99	-41.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010780817	0	28	-1.0	-43.20	285.20	5.07	-38.13
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010780818	0	36	-1.0	-48.89	317.95	5.14	-43.75
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780819	0	38	-1.0	-49.65	339.32	3.25	-46.40
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010780820	0	31	-1.0	-54.80	294.76	5.12	-49.68
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300010780821	0	38	-1.0	-46.32	325.06	4.40	-41.92
COC(=O)C1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=CS1	REAL300010780822	0	34	-1.0	-50.16	297.41	4.79	-45.37
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780823	0	39	-1.0	-48.40	333.63	4.07	-44.33
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780824	0	42	-1.0	-44.04	358.09	5.06	-38.98
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010780825	0	42	-1.0	-43.09	354.75	7.17	-35.92
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780826	0	36	-1.0	-52.38	319.20	6.12	-46.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010780827	0	28	-1.0	-41.06	284.61	4.82	-36.24
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010780828	0	40	0.0	-65.67	327.81	5.77	-59.90
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C2O1	REAL300010780829	0	43	-1.0	-49.20	372.32	6.58	-42.62
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780830	0	40	-1.0	-43.09	330.89	5.82	-37.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010780831	0	28	-1.0	-44.47	272.66	4.58	-39.89
CC1=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010780832	0	36	-1.0	-47.57	301.49	6.88	-40.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010780833	0	34	-1.0	-44.17	309.92	5.58	-38.59
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780834	0	38	-1.0	-38.24	323.28	6.28	-31.96
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780835	0	31	-1.0	-39.41	281.87	5.03	-34.38
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010780836	0	36	-1.0	-44.28	299.24	5.48	-38.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010780837	0	28	-1.0	-42.88	271.54	4.71	-38.17
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010780838	0	30	-1.0	-39.73	291.55	6.10	-33.63
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780839	0	38	-1.0	-38.24	323.28	6.28	-31.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010780840	0	28	-1.0	-45.94	284.75	4.98	-40.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010780841	0	39	-1.0	-47.22	345.12	3.72	-43.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010780842	0	28	-1.0	-41.94	270.19	4.27	-37.67
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780843	0	38	-1.0	-55.18	306.55	5.43	-49.75
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010780844	0	34	-1.0	-42.76	308.24	4.48	-38.28
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780845	0	32	-1.0	-42.70	286.99	4.21	-38.49
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010780846	0	29	-1.0	-41.89	275.18	2.67	-39.22
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010780847	0	41	-1.0	-54.62	336.82	7.12	-47.50
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010780848	0	39	-1.0	-43.65	331.36	4.62	-39.03
CC(C(=O)[O-])N(C)C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010780849	0	45	-1.0	-50.88	339.14	9.69	-41.19
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010780850	0	42	-1.0	-46.81	336.05	5.74	-41.07
COC(=O)C1=CN=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780851	0	33	-1.0	-44.03	297.64	2.75	-41.28
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010780852	0	29	-1.0	-47.15	289.11	4.79	-42.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010780853	0	30	-1.0	-36.69	291.05	5.01	-31.68
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780854	0	35	-1.0	-43.09	300.38	4.21	-38.88
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780855	0	34	-1.0	-38.29	323.37	4.68	-33.61
COC1=CC(Cl)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780856	0	36	-1.0	-44.40	311.05	3.21	-41.19
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010780857	0	32	-1.0	-49.00	293.59	3.47	-45.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010780858	0	31	-1.0	-46.52	292.44	4.88	-41.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300010780859	0	39	-1.0	-52.78	339.44	0.91	-51.87
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C2S1	REAL300010780860	0	40	-1.0	-45.91	362.18	6.89	-39.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010780861	0	34	-1.0	-49.38	304.68	3.65	-45.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010780862	0	33	-1.0	-52.74	304.45	-0.50	-53.24
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010780863	0	34	-1.0	-49.22	303.09	4.39	-44.83
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780864	0	36	-1.0	-48.37	313.55	5.30	-43.07
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(Br)=C1	REAL300010780865	0	32	-1.0	-43.61	286.16	3.57	-40.04
CC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)C(=O)[O-])OCO2	REAL300010780866	0	34	-1.0	-42.11	278.25	2.87	-39.24
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010780867	0	34	-1.0	-49.45	314.24	4.91	-44.54
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780868	0	34	-1.0	-52.89	291.22	4.99	-47.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010780869	0	28	-1.0	-42.37	267.12	4.48	-37.89
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010780870	0	28	-1.0	-41.33	271.26	4.70	-36.63
COC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)C(=O)[O-])OCC(=O)N2	REAL300010780871	0	38	-1.0	-45.14	321.03	0.98	-44.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010780872	0	30	-1.0	-39.76	292.95	4.96	-34.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010780873	0	30	-1.0	-39.93	289.16	4.79	-35.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010780874	0	28	-1.0	-46.42	276.48	5.21	-41.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010780875	0	29	-1.0	-50.51	269.68	2.24	-48.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010780876	0	31	-1.0	-40.54	293.14	5.16	-35.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010780877	0	28	-1.0	-48.66	269.16	4.39	-44.27
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300010780878	0	38	-1.0	-50.54	330.20	4.54	-46.00
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010780879	0	28	-1.0	-40.22	273.43	4.78	-35.44
CC(=O)NC1=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780880	0	31	-1.0	-50.46	292.49	1.35	-49.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300010780880	1	30	-2.0	-99.93	289.20	0.22	-99.71
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010780881	0	31	-1.0	-54.93	293.60	5.20	-49.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010780882	0	32	-1.0	-49.67	300.69	1.16	-48.51
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780883	0	37	-1.0	-49.48	311.07	6.38	-43.10
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780884	0	36	-1.0	-60.40	297.63	2.01	-58.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010780885	0	32	-1.0	-49.63	305.26	1.26	-48.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010780886	0	39	-1.0	-56.23	321.78	5.15	-51.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010780887	0	32	-1.0	-48.98	305.29	5.08	-43.90
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780888	0	35	-1.0	-55.35	318.49	4.45	-50.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010780889	0	31	-1.0	-47.89	308.49	5.41	-42.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010780890	0	29	-1.0	-52.23	273.51	4.32	-47.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010780891	0	29	-1.0	-46.59	276.17	4.43	-42.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780892	0	34	-1.0	-40.35	293.83	5.35	-35.00
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780893	0	45	-1.0	-54.11	385.37	3.61	-50.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010780894	0	34	-1.0	-47.93	298.64	5.01	-42.92
COCCOCCOCCS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780895	0	42	-1.0	-55.92	357.03	1.19	-54.73
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780896	0	38	-1.0	-50.06	330.96	1.21	-48.85
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010780897	0	28	-1.0	-46.48	270.05	4.75	-41.73
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2CC1	REAL300010780898	0	45	-1.0	-55.27	360.17	5.67	-49.60
COC(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010780899	0	37	-1.0	-49.11	333.57	5.36	-43.75
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300010780900	0	38	-1.0	-45.83	338.48	5.53	-40.30
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780901	0	37	-1.0	-45.25	316.99	6.26	-38.99
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780902	0	37	-1.0	-44.81	312.50	5.93	-38.88
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780903	0	38	-1.0	-46.18	327.88	2.90	-43.28
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780904	0	42	-1.0	-52.39	359.91	4.70	-47.69
CC(C(=O)[O-])N(C)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010780905	0	41	-1.0	-57.61	349.33	5.42	-52.19
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010780906	0	37	-1.0	-42.53	337.49	5.71	-36.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010780907	0	30	-1.0	-45.83	293.11	5.67	-40.16
CC(C(=O)[O-])N(C)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010780908	0	37	-1.0	-47.66	310.11	0.98	-46.68
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780909	0	36	-1.0	-43.51	306.72	5.08	-38.43
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300010780910	0	39	-1.0	-49.76	340.10	3.68	-46.08
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(F)C=C1C	REAL300010780911	0	40	-1.0	-44.54	341.23	5.91	-38.63
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780912	0	42	-1.0	-50.57	360.97	2.06	-48.51
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780913	0	39	-1.0	-47.66	325.34	3.41	-44.25
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780914	0	41	-1.0	-45.76	346.90	5.32	-40.44
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1C	REAL300010780915	0	40	-1.0	-49.43	341.32	6.01	-43.42
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780916	0	40	-1.0	-48.04	346.50	6.25	-41.79
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780917	0	34	-1.0	-52.18	317.23	5.93	-46.25
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010780918	0	31	-1.0	-41.44	289.07	5.63	-35.81
CC(COC1CCCC1)CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780919	0	44	-1.0	-53.95	348.88	5.19	-48.76
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010780920	0	34	-1.0	-42.96	311.47	5.90	-37.06
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780921	0	37	-1.0	-46.06	325.12	5.35	-40.71
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010780922	0	38	-1.0	-46.05	323.64	7.28	-38.77
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780923	0	42	-1.0	-48.25	368.07	1.59	-46.66
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Br	REAL300010780924	0	31	-1.0	-45.29	289.51	5.09	-40.20
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1C	REAL300010780925	0	40	-1.0	-53.89	350.62	5.11	-48.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010780926	0	34	-1.0	-56.15	319.14	1.83	-54.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010780927	0	32	-1.0	-54.40	295.83	4.66	-49.74
CC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(Br)N1C	REAL300010780928	0	31	-1.0	-54.21	290.08	3.37	-50.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780929	0	41	-1.0	-51.54	342.88	4.66	-46.88
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010780930	0	31	-2.0	-108.19	287.09	3.51	-104.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010780930	1	32	-1.0	-37.96	288.37	3.01	-34.95
CC(C(=O)[O-])N(C)S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010780931	0	45	-1.0	-59.39	393.44	4.27	-55.12
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010780932	0	29	-1.0	-40.18	288.89	4.65	-35.53
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780933	0	39	-1.0	-50.85	342.33	3.25	-47.60
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010780934	0	43	-1.0	-50.65	361.55	6.72	-43.93
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780935	0	40	-1.0	-51.39	353.10	3.08	-48.31
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780936	0	39	-1.0	-47.36	369.59	4.63	-42.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010780937	0	33	-1.0	-51.13	295.05	1.10	-50.03
COC(=O)C1(CS(=O)(=O)N(C)C(C)C(=O)[O-])CCCC1	REAL300010780938	0	40	-1.0	-44.23	321.96	4.94	-39.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010780939	0	27	-1.0	-39.28	280.74	3.05	-36.23
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780940	0	35	-1.0	-42.23	320.74	4.03	-38.20
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780941	0	37	-1.0	-46.03	332.49	6.17	-39.86
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010780942	0	34	-1.0	-41.09	302.12	5.40	-35.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010780943	0	39	-1.0	-42.95	354.34	7.16	-35.79
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780944	0	37	-1.0	-56.89	325.31	5.24	-51.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010780945	0	30	-1.0	-50.83	275.29	3.54	-47.29
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010780946	0	34	-1.0	-53.76	309.99	5.81	-47.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010780947	0	28	-1.0	-41.17	280.25	4.08	-37.09
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010780948	0	32	-1.0	-48.32	297.44	4.82	-43.50
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1I	REAL300010780949	0	31	-1.0	-49.36	293.46	5.46	-43.90
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780950	0	41	-1.0	-45.51	358.79	4.16	-41.35
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780951	0	44	-1.0	-45.35	381.16	5.16	-40.19
COC(=O)C1(CS(=O)(=O)N(C)C(C)C(=O)[O-])CCCCC1	REAL300010780952	0	43	-1.0	-58.95	334.75	5.40	-53.55
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN=C1C	REAL300010780953	0	36	-1.0	-46.90	314.87	3.23	-43.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010780954	0	32	-1.0	-49.14	294.30	3.59	-45.55
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780955	0	37	-1.0	-45.14	342.82	5.96	-39.18
CC(C(=O)[O-])N(C)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010780956	0	44	-1.0	-61.84	381.65	5.73	-56.11
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010780957	0	30	-1.0	-45.38	286.08	3.21	-42.17
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010780958	0	37	-1.0	-47.28	314.27	5.47	-41.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010780959	0	29	-1.0	-50.13	280.43	3.14	-46.99
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010780960	0	34	-1.0	-43.25	303.44	5.45	-37.80
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010780961	0	31	-1.0	-56.19	289.57	2.61	-53.58
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010780962	0	30	-1.0	-39.85	287.14	6.00	-33.85
COC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(F)C=C1C	REAL300010780963	0	37	-1.0	-45.00	319.23	4.94	-40.06
CC1=CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010780964	0	36	-1.0	-43.84	324.02	5.24	-38.60
CC(C(=O)[O-])N(C)S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010780965	0	38	-1.0	-53.11	327.69	4.60	-48.51
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C(C)C)=C1	REAL300010780966	0	55	-1.0	-50.73	401.29	9.50	-41.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010780967	0	33	-1.0	-48.27	296.65	5.37	-42.90
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780968	0	40	-1.0	-42.89	348.08	6.22	-36.67
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780969	0	33	-1.0	-46.68	284.70	3.61	-43.07
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780970	0	35	-1.0	-43.32	317.15	4.10	-39.22
COC1=CC=C2C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])CCC2=C1	REAL300010780971	0	40	-1.0	-52.14	331.63	5.49	-46.65
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010780972	0	31	-1.0	-46.05	285.62	4.33	-41.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010780973	0	31	-1.0	-50.63	299.60	5.99	-44.64
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010780974	0	42	-1.0	-57.86	368.57	2.04	-55.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300010780974	1	41	-2.0	-111.11	361.64	2.22	-108.89
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010780975	0	31	-1.0	-54.62	299.18	5.21	-49.41
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010780976	0	37	-1.0	-66.46	333.00	2.10	-64.36
CC1=CC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C=C1	REAL300010780977	0	37	-1.0	-51.23	315.91	6.84	-44.39
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300010780978	0	37	-1.0	-41.26	321.48	5.28	-35.98
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010780979	0	43	-1.0	-52.92	371.04	4.42	-48.50
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300010780980	0	41	-1.0	-51.04	343.55	4.14	-46.90
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010780981	0	31	-1.0	-55.04	291.12	5.12	-49.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010780982	0	34	-1.0	-52.45	293.13	5.97	-46.48
CCC1=CC(CC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(CC)=C1	REAL300010780983	0	46	-1.0	-50.75	340.41	8.01	-42.74
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300010780984	0	47	-1.0	-48.99	389.62	4.61	-44.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010780985	0	35	-1.0	-51.14	303.68	3.65	-47.49
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010780986	0	30	-1.0	-49.39	296.68	3.77	-45.62
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300010780987	0	36	-1.0	-43.25	315.63	3.56	-39.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010780988	0	36	-1.0	-46.55	318.84	2.46	-44.09
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010780989	0	33	-1.0	-49.21	303.11	-1.24	-50.45
CC(C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010780990	0	39	-1.0	-62.66	321.65	0.94	-61.72
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Cl	REAL300010780991	0	32	-1.0	-47.59	294.15	3.76	-43.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010780992	0	31	-1.0	-43.25	280.14	1.25	-42.00
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780993	0	41	-1.0	-49.09	341.21	4.85	-44.24
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010780994	0	37	-1.0	-47.60	314.52	6.68	-40.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010780995	0	32	-1.0	-40.50	286.41	4.03	-36.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010780996	0	32	-1.0	-40.74	296.87	4.53	-36.21
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300010780997	0	37	-1.0	-53.90	331.03	5.39	-48.51
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300010780998	0	41	-1.0	-44.40	340.33	5.74	-38.66
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010780999	0	31	-1.0	-40.37	308.02	5.66	-34.71
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010781000	0	31	-1.0	-52.89	305.74	5.66	-47.23
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300010781920	0	38	-1.0	-42.87	314.56	3.64	-39.23
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010781921	0	38	-1.0	-46.04	335.99	4.16	-41.88
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781922	0	43	-1.0	-64.54	339.77	5.12	-59.42
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781923	0	46	-1.0	-48.23	366.38	4.63	-43.60
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781924	0	39	-1.0	-43.52	345.18	5.77	-37.75
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781925	0	38	-1.0	-48.05	324.48	2.41	-45.64
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781926	0	39	-1.0	-42.81	325.05	5.52	-37.29
CC(C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010781927	0	36	-1.0	-43.40	313.41	4.60	-38.80
CC(C)[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010781928	0	31	-1.0	-40.90	296.67	4.61	-36.29
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010781929	0	33	-1.0	-49.77	286.28	4.99	-44.78
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010781930	0	28	-1.0	-44.23	273.25	2.24	-41.99
CC(C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010781930	1	27	-2.0	-120.62	272.64	1.93	-118.69
CC(C)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010781931	0	41	-1.0	-41.51	318.22	4.31	-37.20
CC(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781932	0	33	-1.0	-42.18	297.09	4.18	-38.00
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781933	0	35	-1.0	-42.00	316.67	3.38	-38.62
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN1C	REAL300010781934	0	41	-1.0	-51.64	356.67	4.65	-46.99
CC(C)[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010781935	0	44	-1.0	-48.64	374.97	4.50	-44.14
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C12	REAL300010781936	0	38	-1.0	-45.33	332.85	1.33	-44.00
CC(C)[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010781937	0	43	-1.0	-44.63	350.07	4.93	-39.70
CC(C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010781938	0	31	-1.0	-45.79	284.57	4.29	-41.50
CC(C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010781938	1	30	-2.0	-140.41	282.15	4.67	-135.74
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(Cl)=N1	REAL300010781939	0	33	-1.0	-46.08	303.16	2.92	-43.16
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781940	0	36	-1.0	-39.72	299.70	3.98	-35.74
CC(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010781941	0	38	-1.0	-44.05	321.86	5.17	-38.88
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010781942	0	35	-1.0	-42.85	321.10	4.94	-37.91
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)S1	REAL300010781943	0	33	-1.0	-40.76	307.01	3.84	-36.92
CC(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010781944	0	41	-1.0	-45.81	350.72	0.03	-45.78
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010781945	0	34	-1.0	-40.66	306.74	1.43	-39.23
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010781946	0	40	-1.0	-45.62	341.82	4.42	-41.20
CC(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010781947	0	46	-1.0	-46.89	382.63	3.95	-42.94
CC(C)[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781948	0	30	-1.0	-38.28	287.05	3.22	-35.06
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781949	0	49	0.0	-66.21	385.30	4.71	-61.50
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1F	REAL300010781950	0	37	-1.0	-42.56	317.92	4.91	-37.65
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781951	0	34	-1.0	-39.81	302.81	4.97	-34.84
CC(C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010781952	0	35	-1.0	-52.78	310.45	3.68	-49.10
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010781953	0	31	-1.0	-43.47	283.11	3.78	-39.69
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781954	0	39	-1.0	-50.19	324.81	4.15	-46.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1C	REAL300010781955	0	58	-1.0	-45.23	452.36	7.93	-37.30
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010781956	0	40	-1.0	-48.58	334.23	5.06	-43.52
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781957	0	45	-1.0	-41.62	373.79	4.71	-36.91
CC(C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010781958	0	32	-1.0	-55.09	303.22	4.45	-50.64
CC(C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010781959	0	34	-1.0	-47.07	317.60	2.69	-44.38
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010781960	0	46	-1.0	-47.24	370.49	4.36	-42.88
CC(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010781961	0	37	-1.0	-44.14	340.84	6.50	-37.64
COC(=O)CCCCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781962	0	42	-1.0	-42.04	350.65	4.33	-37.71
CC(C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010781963	0	36	-1.0	-43.88	313.71	2.68	-41.20
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781964	0	39	-1.0	-44.80	335.29	1.75	-43.05
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010781966	0	34	-1.0	-39.71	329.38	5.14	-34.57
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781967	0	42	-1.0	-41.78	323.56	1.61	-40.17
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781968	0	36	-1.0	-37.63	319.92	5.19	-32.44
COC1=C(F)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781969	0	37	-1.0	-39.83	329.35	4.28	-35.55
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781970	0	41	-1.0	-47.00	365.46	3.06	-43.94
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010781971	0	42	-1.0	-45.04	368.32	5.37	-39.67
COC1=CC=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1	REAL300010781972	0	41	-1.0	-44.13	346.97	4.37	-39.76
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010781973	0	46	-1.0	-40.42	373.39	5.00	-35.42
CC(C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010781974	0	34	-1.0	-43.04	309.55	2.50	-40.54
CC(C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010781975	0	42	-1.0	-44.77	348.69	4.82	-39.95
CC1=CC=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=CC=C12	REAL300010781976	0	39	-1.0	-50.59	310.08	5.05	-45.54
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300010781977	0	39	-1.0	-41.07	329.83	3.24	-37.83
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010781978	0	34	-1.0	-44.95	300.04	4.39	-40.56
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010781979	0	34	-1.0	-42.92	300.57	4.15	-38.77
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=C1	REAL300010781980	0	34	-1.0	-40.44	308.44	4.74	-35.70
CSC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781981	0	35	-1.0	-45.44	303.93	4.57	-40.87
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010781982	0	38	-1.0	-44.51	340.16	3.10	-41.41
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010781983	0	42	-1.0	-50.02	342.27	3.91	-46.11
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010781984	0	43	-1.0	-48.20	355.44	3.87	-44.33
CC(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010781985	0	37	-1.0	-42.01	352.10	1.74	-40.27
CC(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010781986	0	39	-1.0	-47.80	338.32	4.79	-43.01
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010781987	0	41	-1.0	-47.00	365.46	3.06	-43.94
CC(C)[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010781988	0	39	-1.0	-46.29	319.98	3.89	-42.40
CC(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010781989	0	34	-1.0	-38.37	313.22	4.77	-33.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300010781990	0	41	-1.0	-44.46	333.65	4.24	-40.22
COC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)C(C)=CS1	REAL300010781991	0	37	-1.0	-44.89	318.18	4.64	-40.25
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010781992	0	35	-1.0	-41.51	301.61	2.83	-38.68
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781993	0	42	-1.0	-45.27	345.04	3.87	-41.40
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781994	0	45	-1.0	-44.94	385.22	4.78	-40.16
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010781995	0	45	-1.0	-41.12	365.36	7.00	-34.12
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C	REAL300010781996	0	39	-1.0	-43.06	339.76	5.66	-37.40
CC(C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010781997	0	31	-1.0	-39.11	301.76	4.37	-34.74
CC(C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010781997	1	30	-2.0	-123.18	311.90	4.42	-118.76
CC(C)[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010781998	0	43	0.0	-58.28	347.78	5.45	-52.83
CC(C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010781999	0	39	-1.0	-44.40	320.84	3.95	-40.45
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)=CC=C2O1	REAL300010782000	0	46	-1.0	-43.10	392.90	6.22	-36.88
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1F	REAL300010783234	0	41	-1.0	-43.94	337.87	4.42	-39.52
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010783235	0	41	-1.0	-46.60	359.00	4.94	-41.66
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783236	0	46	-1.0	-65.26	355.82	5.68	-59.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783237	0	49	-1.0	-47.97	393.31	5.81	-42.16
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783238	0	42	-1.0	-42.08	360.70	6.38	-35.70
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783239	0	41	-1.0	-48.42	350.99	3.27	-45.15
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783240	0	42	-1.0	-43.01	351.61	6.39	-36.62
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010783241	0	39	-1.0	-44.20	338.97	4.89	-39.31
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010783242	0	34	-1.0	-40.32	322.43	5.50	-34.82
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783243	0	36	-1.0	-48.53	306.17	5.76	-42.77
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783244	0	31	-1.0	-44.26	299.38	3.08	-41.18
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783244	1	30	-2.0	-128.66	291.84	3.38	-125.28
CC(C)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010783245	0	44	-1.0	-42.70	347.46	5.25	-37.45
CC(C)C[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010783246	0	46	-1.0	-41.35	342.26	5.82	-35.53
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783247	0	36	-1.0	-41.78	322.87	5.05	-36.73
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783248	0	38	-1.0	-42.68	343.61	4.27	-38.41
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010783249	0	44	-1.0	-47.59	378.03	5.40	-42.19
CC(C)C[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010783250	0	47	-1.0	-49.31	401.88	5.38	-43.93
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C12	REAL300010783251	0	41	-1.0	-45.84	355.89	2.09	-43.75
CCC1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783252	0	36	-1.0	-42.72	324.66	2.98	-39.74
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010783253	0	46	-1.0	-45.83	378.85	5.87	-39.96
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010783254	0	34	-1.0	-44.97	307.28	5.09	-39.88
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010783254	1	33	-2.0	-141.52	303.50	5.42	-136.10
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(Cl)=N1	REAL300010783255	0	36	-1.0	-52.17	322.06	3.54	-48.63
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783256	0	39	-1.0	-40.15	325.84	4.83	-35.32
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010783257	0	41	-1.0	-44.33	344.94	6.01	-38.32
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783258	0	38	-1.0	-44.84	350.21	5.84	-39.00
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783259	0	36	-1.0	-40.10	332.09	4.74	-35.36
CC(C)C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010783260	0	44	-1.0	-46.07	376.62	0.85	-45.22
COC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN=C1Cl	REAL300010783261	0	37	-1.0	-42.08	335.85	2.34	-39.74
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783262	0	39	-1.0	-44.69	336.25	4.79	-39.90
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010783263	0	43	-1.0	-46.22	368.68	5.28	-40.94
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010783264	0	49	-1.0	-44.71	408.75	4.80	-39.91
CC(C)C[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783265	0	33	-1.0	-39.11	315.82	4.14	-34.97
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783266	0	52	0.0	-66.41	411.42	5.56	-60.85
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783267	0	43	-1.0	-44.00	360.22	6.46	-37.54
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783268	0	40	-1.0	-42.78	344.05	5.73	-37.05
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783269	0	37	-1.0	-40.06	328.35	5.81	-34.25
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010783270	0	38	-1.0	-50.86	331.44	4.40	-46.46
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010783271	0	34	-1.0	-43.42	309.87	4.70	-38.72
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783272	0	42	-1.0	-50.81	347.85	4.94	-45.87
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010783273	0	43	-1.0	-48.50	355.57	5.79	-42.71
CC1=CC=CC(F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783274	0	37	-1.0	-44.83	307.51	5.13	-39.70
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783275	0	48	-1.0	-42.12	396.33	5.61	-36.51
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010783276	0	38	-1.0	-53.86	314.48	3.47	-50.39
CC(C)C[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010783277	0	35	-1.0	-55.29	325.45	5.20	-50.09
CC1=NC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CS1	REAL300010783278	0	36	-1.0	-47.22	323.92	2.71	-44.51
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010783279	0	37	-1.0	-47.72	338.96	3.41	-44.31
COC(=O)CCCCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783280	0	45	-1.0	-44.18	377.38	5.17	-39.01
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010783281	0	39	-1.0	-45.77	339.36	3.51	-42.26
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783282	0	42	-1.0	-45.72	362.17	2.58	-43.14
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010783284	0	37	-1.0	-39.67	350.79	5.89	-33.78
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783285	0	45	-1.0	-41.36	342.73	2.28	-39.08
COC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783286	0	40	-1.0	-41.22	358.48	5.22	-36.00
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783287	0	44	-1.0	-43.72	384.82	3.65	-40.07
COC1=CC=C(CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783288	0	44	-1.0	-43.47	367.20	5.11	-38.36
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010783289	0	37	-1.0	-45.05	334.07	3.21	-41.84
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010783290	0	45	-1.0	-43.67	371.39	5.61	-38.06
CC1=CC=NC2=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010783291	0	42	-1.0	-51.26	336.92	6.00	-45.26
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010783292	0	37	-1.0	-46.87	329.17	5.30	-41.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010783293	0	37	-1.0	-43.19	326.70	4.99	-38.20
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783294	0	37	-1.0	-42.26	337.70	5.64	-36.62
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783295	0	38	-1.0	-44.56	325.19	5.31	-39.25
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010783296	0	45	-1.0	-50.42	365.59	4.64	-45.78
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010783297	0	46	-1.0	-48.00	378.25	4.58	-43.42
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010783298	0	42	-1.0	-47.12	364.09	5.69	-41.43
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783299	0	44	-1.0	-43.72	384.82	3.65	-40.07
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010783300	0	42	-1.0	-46.65	346.50	4.74	-41.91
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010783301	0	37	-1.0	-40.55	339.93	5.59	-34.96
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(OC)=C1	REAL300010783302	0	44	-1.0	-44.93	359.78	5.09	-39.84
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=CS1	REAL300010783303	0	40	-1.0	-47.63	349.93	5.60	-42.03
COC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010783304	0	38	-1.0	-42.67	330.37	3.78	-38.89
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783305	0	45	-1.0	-43.53	352.96	5.15	-38.38
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783306	0	48	-1.0	-45.93	411.43	5.65	-40.28
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010783307	0	43	-1.0	-43.90	344.57	6.33	-37.57
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010783308	0	48	-1.0	-41.86	392.19	7.62	-34.24
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783309	0	42	-1.0	-43.71	362.72	6.43	-37.28
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010783310	0	46	0.0	-59.84	373.01	6.29	-53.55
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010783311	0	42	-1.0	-45.45	344.23	4.72	-40.73
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C2O1	REAL300010783312	0	49	-1.0	-44.18	416.49	7.03	-37.15
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010783313	0	37	-1.0	-42.92	329.06	4.93	-37.99
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783314	0	46	-1.0	-45.50	383.55	6.79	-38.71
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010783315	0	34	-1.0	-47.72	326.47	5.33	-42.39
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010783315	1	33	-2.0	-124.37	322.63	5.74	-118.63
CC1=C(Cl)SC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783316	0	34	-1.0	-41.43	323.98	4.58	-36.85
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010783317	0	40	-1.0	-45.36	337.32	4.82	-40.54
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783318	0	38	-1.0	-48.51	317.42	3.30	-45.21
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010783319	0	42	-1.0	-51.64	347.69	7.30	-44.34
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010783320	0	40	-1.0	-43.40	355.99	6.14	-37.26
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010783321	0	44	-1.0	-39.03	379.40	7.29	-31.74
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783322	0	37	-1.0	-37.59	329.29	5.58	-32.01
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010783323	0	39	-1.0	-50.22	336.19	4.74	-45.48
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783324	0	40	-1.0	-47.58	344.06	5.76	-41.82
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783325	0	42	-1.0	-42.46	355.80	6.56	-35.90
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010783326	0	34	-1.0	-43.06	322.81	5.61	-37.45
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010783327	0	44	-1.0	-39.03	379.40	7.29	-31.74
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010783328	0	33	-1.0	-38.98	312.39	3.06	-35.92
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010783329	0	34	-1.0	-40.13	330.78	5.48	-34.65
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010783330	0	45	-1.0	-47.63	391.58	4.20	-43.43
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010783331	0	33	-2.0	-131.70	308.53	5.03	-126.67
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783332	0	44	-1.0	-48.39	357.76	6.14	-42.25
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300010783333	0	37	-1.0	-43.56	321.83	1.09	-42.47
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1C#N	REAL300010783334	0	38	-1.0	-40.21	334.62	5.28	-34.93
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783335	0	40	-1.0	-45.49	353.96	5.08	-40.41
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783336	0	38	-1.0	-40.95	324.03	4.84	-36.11
CC(C)C[C@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010783337	0	35	-1.0	-43.31	322.15	3.18	-40.13
CC(C)C[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010783338	0	47	-1.0	-43.80	382.33	7.61	-36.19
CC(C)C[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010783339	0	45	-1.0	-44.89	375.45	5.04	-39.85
CC(C)C[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010783340	0	51	-1.0	-54.67	389.79	10.84	-43.83
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010783341	0	48	-1.0	-45.72	383.90	6.38	-39.34
COC1=CC=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783342	0	41	-1.0	-44.72	336.35	4.49	-40.23
COC(=O)C1=CN=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783343	0	39	-1.0	-44.70	344.96	3.23	-41.47
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010783344	0	35	-1.0	-39.56	335.15	5.29	-34.27
CC(C)C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783345	0	36	-1.0	-37.36	348.44	5.97	-31.39
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783345	1	35	-2.0	-113.97	345.99	5.69	-108.28
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783346	0	41	-1.0	-42.76	352.75	4.94	-37.82
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783347	0	40	-1.0	-37.01	360.53	4.76	-32.25
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010783348	0	41	-1.0	-46.61	341.12	4.14	-42.47
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010783349	0	42	-1.0	-43.18	361.30	4.03	-39.15
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010783350	0	38	-1.0	-45.07	340.12	4.05	-41.02
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010783351	0	37	-1.0	-38.73	338.97	5.44	-33.29
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783352	0	45	-1.0	-44.48	386.25	1.44	-43.04
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C2S1	REAL300010783353	0	46	-1.0	-45.56	409.62	7.39	-38.17
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010783354	0	38	-1.0	-45.45	336.90	5.57	-39.88
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010783355	0	40	-1.0	-46.09	329.91	3.75	-42.34
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010783356	0	39	-1.0	-56.38	351.80	0.01	-56.37
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783357	0	40	-1.0	-48.38	342.66	4.68	-43.70
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783358	0	42	-1.0	-65.58	368.35	6.07	-59.51
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(Br)=C1	REAL300010783359	0	38	-1.0	-43.57	340.10	4.39	-39.18
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])OCO2	REAL300010783360	0	40	-1.0	-43.18	333.32	3.75	-39.43
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783361	0	40	-1.0	-50.45	331.40	5.72	-44.73
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783362	0	34	-1.0	-49.87	321.18	5.31	-44.56
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783363	0	40	-1.0	-40.75	327.64	6.00	-34.75
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010783364	0	34	-1.0	-38.83	322.38	5.49	-33.34
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])OCC(=O)N2	REAL300010783365	0	44	-1.0	-43.20	355.74	1.68	-41.52
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010783366	0	35	-2.0	-121.16	342.45	5.26	-115.90
CC(C)C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010783366	1	36	-1.0	-38.21	333.07	5.26	-32.95
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010783367	0	32	-1.0	-38.85	305.30	3.93	-34.92
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010783368	0	36	-1.0	-38.53	329.34	5.11	-33.42
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010783368	1	35	-2.0	-117.19	338.72	5.14	-112.05
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010783369	0	34	-1.0	-39.27	321.56	5.65	-33.62
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010783369	1	33	-2.0	-122.03	315.53	6.02	-116.01
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010783370	0	35	-1.0	-47.18	304.61	2.77	-44.41
COC1=CN=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783371	0	37	-1.0	-44.91	319.23	1.88	-43.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010783372	0	34	-1.0	-46.54	309.27	4.69	-41.85
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010783373	0	44	-1.0	-46.34	376.72	5.12	-41.22
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010783374	0	34	-1.0	-38.97	324.21	5.53	-33.44
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010783375	0	37	-1.0	-42.95	333.97	5.57	-37.38
CC(=O)NC1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783376	0	37	-1.0	-50.33	337.77	1.87	-48.46
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783376	1	36	-2.0	-106.73	336.66	0.72	-106.01
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010783377	0	37	-1.0	-42.88	338.53	5.67	-37.21
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010783378	0	38	-1.0	-46.89	346.26	1.68	-45.21
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783379	0	43	-1.0	-48.23	353.74	6.66	-41.57
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783380	0	42	-1.0	-47.63	345.88	3.00	-44.63
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010783381	0	38	-1.0	-46.72	350.83	1.79	-44.93
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783382	0	41	-1.0	-45.23	346.00	4.60	-40.63
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010783383	0	45	-1.0	-50.12	371.81	5.55	-44.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010783384	0	38	-1.0	-38.25	351.31	5.56	-32.69
COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783385	0	43	-1.0	-38.25	355.62	2.85	-35.40
CC1=CC=C(CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783386	0	43	-1.0	-43.56	360.23	6.49	-37.07
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783387	0	41	-1.0	-46.12	363.52	4.88	-41.24
CC(C)C[C@H](NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010783388	0	38	-1.0	-42.32	324.09	1.65	-40.67
CCN(CC(C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783389	0	42	-1.0	-43.07	338.59	3.99	-39.08
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010783390	0	37	-1.0	-44.48	303.14	2.76	-41.72
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010783391	0	35	-1.0	-48.38	330.50	5.22	-43.16
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010783392	0	35	-1.0	-42.22	334.40	5.28	-36.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783393	0	40	-1.0	-39.47	346.56	6.22	-33.25
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010783394	0	40	-1.0	-46.97	350.70	5.81	-41.16
COCCOCCOCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783395	0	48	-1.0	-47.57	400.91	1.63	-45.94
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783396	0	44	-1.0	-47.24	365.82	1.96	-45.28
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010783397	0	33	-2.0	-132.71	309.79	5.43	-127.28
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010783397	1	34	-1.0	-45.52	316.93	5.19	-40.33
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2CC1	REAL300010783398	0	51	-1.0	-47.73	406.44	6.30	-41.43
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300010783399	0	43	-1.0	-44.77	379.58	5.85	-38.92
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010783400	0	44	-1.0	-46.17	387.67	5.98	-40.19
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783401	0	43	-1.0	-55.23	369.75	7.00	-48.23
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010783402	0	43	-1.0	-55.11	365.56	6.70	-48.41
CC(C)C[C@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010783403	0	41	-1.0	-61.51	332.05	3.32	-58.19
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783404	0	44	-1.0	-46.60	372.66	3.33	-43.27
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010783405	0	34	-1.0	-42.69	304.69	4.51	-38.18
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010783405	1	33	-2.0	-132.00	314.51	4.66	-127.34
CC(C)C[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010783406	0	47	-1.0	-41.35	391.02	5.82	-35.53
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010783407	0	43	-1.0	-41.66	377.05	6.01	-35.65
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010783407	1	42	-2.0	-125.23	387.20	6.07	-119.16
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010783408	0	36	-1.0	-42.89	336.79	6.04	-36.85
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010783408	1	35	-2.0	-129.77	335.00	6.41	-123.36
CC(C)C[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010783409	0	43	-1.0	-47.41	351.61	1.48	-45.93
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783410	0	41	-2.0	-128.53	360.44	5.54	-122.99
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010783411	0	45	-1.0	-50.25	389.18	4.15	-46.10
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1C	REAL300010783412	0	46	-1.0	-43.49	378.96	6.09	-37.40
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783413	0	48	-1.0	-51.65	406.54	2.55	-49.10
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783414	0	45	-1.0	-46.70	362.38	4.09	-42.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783415	0	47	-1.0	-44.49	383.80	5.92	-38.57
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1C	REAL300010783416	0	46	-1.0	-43.09	385.44	6.43	-36.66
CC(C)C[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010783417	0	37	-1.0	-45.26	331.42	5.73	-39.53
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783418	0	46	-1.0	-46.91	393.47	6.73	-40.18
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783419	0	40	-1.0	-43.06	372.13	6.95	-36.11
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783419	1	39	-2.0	-135.74	364.87	7.16	-128.58
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783420	0	37	-1.0	-40.93	331.60	6.29	-34.64
CC(C)C[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010783421	0	50	-1.0	-40.91	394.13	5.68	-35.23
CC1=C(CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010783422	0	39	-1.0	-42.90	341.67	3.55	-39.35
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010783423	0	40	-1.0	-41.59	354.42	6.32	-35.27
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783424	0	43	-1.0	-44.66	363.11	5.56	-39.10
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010783425	0	44	-1.0	-46.93	369.20	7.76	-39.17
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783426	0	48	-1.0	-47.73	411.89	2.11	-45.62
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010783427	0	37	-1.0	-45.08	334.12	5.62	-39.46
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010783428	0	46	-1.0	-46.00	397.02	5.59	-40.41
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010783429	0	40	-1.0	-44.35	365.16	2.33	-42.02
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010783430	0	38	-1.0	-44.94	342.04	5.25	-39.69
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010783431	0	37	-1.0	-44.33	326.83	5.25	-39.08
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783432	0	36	-1.0	-41.70	318.11	3.75	-37.95
CC1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010783433	0	37	-1.0	-52.49	331.03	4.24	-48.25
CC1=NC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010783433	1	36	-2.0	-145.88	329.17	4.02	-141.86
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783434	0	35	-1.0	-39.51	318.03	3.27	-36.24
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783435	0	42	-1.0	-47.14	341.35	4.25	-42.89
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783436	0	47	-1.0	-53.18	388.96	5.21	-47.97
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010783437	0	37	-2.0	-110.40	325.44	3.97	-106.43
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010783437	1	38	-1.0	-43.28	341.59	3.11	-40.17
CCOC(=O)CC1(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783438	0	43	-1.0	-45.53	350.21	6.06	-39.47
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010783439	0	35	-1.0	-38.35	328.46	4.91	-33.44
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010783439	1	34	-2.0	-123.06	331.48	5.67	-117.39
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783440	0	45	-1.0	-50.98	376.85	3.69	-47.29
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010783441	0	49	-1.0	-44.52	408.05	7.18	-37.34
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783442	0	46	-1.0	-51.98	398.31	3.62	-48.36
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010783443	0	39	-1.0	-45.18	341.07	1.60	-43.58
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCCC1	REAL300010783444	0	46	-1.0	-42.53	366.21	5.48	-37.05
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010783445	0	33	-1.0	-38.97	325.95	3.56	-35.41
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783446	0	41	-1.0	-42.21	366.80	4.59	-37.62
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010783447	0	40	-1.0	-41.20	349.42	5.87	-35.33
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010783448	0	45	-1.0	-42.33	400.06	7.75	-34.58
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783449	0	43	-1.0	-47.16	371.60	5.82	-41.34
CC(C)C[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010783450	0	36	-1.0	-47.55	310.59	4.15	-43.40
CC(C)C[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010783451	0	44	-1.0	-42.00	340.98	5.71	-36.29
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010783452	0	40	-1.0	-43.98	353.89	6.27	-37.71
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC1	REAL300010783453	0	43	-1.0	-43.59	356.43	4.72	-38.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010783454	0	34	-1.0	-39.24	325.38	4.56	-34.68
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010783455	0	38	-1.0	-44.46	342.14	5.35	-39.11
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783456	0	47	-1.0	-45.73	404.50	4.77	-40.96
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783457	0	50	-1.0	-45.62	426.36	5.67	-39.95
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCCCC1	REAL300010783458	0	49	-1.0	-43.73	380.55	5.80	-37.93
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN=C1C	REAL300010783459	0	42	-1.0	-43.56	361.24	3.69	-39.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010783460	0	38	-1.0	-48.08	333.84	3.81	-44.27
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783461	0	43	-1.0	-44.90	388.38	6.46	-38.44
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010783462	0	35	-1.0	-41.09	321.71	4.81	-36.28
CC(C)C[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010783463	0	44	-1.0	-41.25	349.61	3.60	-37.65
CC(C)C[C@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010783464	0	50	-1.0	-51.44	426.67	6.17	-45.27
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783465	0	37	-1.0	-42.72	319.08	4.83	-37.89
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010783466	0	36	-1.0	-47.18	340.95	4.02	-43.16
CC(C)C[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010783467	0	47	-1.0	-41.51	347.66	6.28	-35.23
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010783468	0	43	-1.0	-47.43	359.85	5.99	-41.44
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010783469	0	35	-1.0	-47.15	315.60	3.56	-43.59
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010783470	0	40	-1.0	-42.61	348.37	5.90	-36.71
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010783471	0	37	-1.0	-47.03	330.32	3.22	-43.81
CC(C)C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010783471	1	36	-2.0	-132.20	325.42	3.40	-128.80
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783472	0	36	-1.0	-39.74	330.75	6.35	-33.39
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783472	1	35	-2.0	-127.02	328.33	6.74	-120.28
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1C	REAL300010783473	0	43	-1.0	-44.16	358.71	5.19	-38.97
CC1=CC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010783474	0	42	-1.0	-44.17	371.12	5.77	-38.40
CC(C)C[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010783475	0	43	-1.0	-45.67	345.42	5.48	-40.19
CC(C)C[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010783476	0	44	-1.0	-45.53	372.85	5.07	-40.46
CC(C)C[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010783477	0	61	-1.0	-45.09	452.34	10.37	-34.72
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010783478	0	39	-1.0	-45.90	332.63	5.80	-40.10
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783479	0	46	-1.0	-42.44	392.86	6.64	-35.80
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783480	0	39	-1.0	-50.59	333.77	4.02	-46.57
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783481	0	41	-1.0	-43.43	363.55	4.67	-38.76
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010783482	0	41	-1.0	-44.84	344.22	6.45	-38.39
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC2=C1	REAL300010783483	0	46	-1.0	-45.19	375.78	5.99	-39.20
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010783484	0	42	-1.0	-44.58	355.18	5.37	-39.21
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010783485	0	37	-1.0	-45.14	328.97	4.83	-40.31
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010783485	1	36	-2.0	-131.58	323.62	5.10	-126.48
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010783486	0	37	-1.0	-47.08	346.30	6.42	-40.66
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010783486	1	36	-2.0	-134.22	343.79	6.12	-128.10
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010783487	0	37	-1.0	-40.37	344.34	5.69	-34.68
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010783488	0	43	-1.0	-50.77	374.53	2.49	-48.28
CC(C)C[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010783489	0	37	-1.0	-47.52	308.78	4.95	-42.57
CC(C)C[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010783490	0	46	-1.0	-41.47	358.47	5.99	-35.48
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010783491	0	43	-1.0	-47.73	362.29	7.31	-40.42
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010783492	0	31	-1.0	-37.42	290.34	3.46	-33.96
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010783492	1	30	-2.0	-129.28	300.47	3.53	-125.75
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783493	0	43	-1.0	-41.73	372.41	6.17	-35.56
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010783494	0	49	-1.0	-50.20	416.61	4.92	-45.28
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010783495	0	47	-1.0	-47.92	390.93	4.72	-43.20
CC(C)C[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010783496	0	37	-1.0	-48.49	336.21	5.53	-42.96
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010783497	0	40	-1.0	-51.66	332.95	6.28	-45.38
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(CC)=C1	REAL300010783498	0	52	-1.0	-43.18	394.82	8.98	-34.20
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010783499	0	39	-1.0	-46.73	330.46	4.25	-42.48
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010783500	0	41	-1.0	-49.21	348.74	4.06	-45.15
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010783501	0	36	-1.0	-46.09	343.18	4.28	-41.81
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783502	0	42	-1.0	-41.80	350.48	4.30	-37.50
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010783503	0	42	-1.0	-44.98	366.15	2.93	-42.05
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010783504	0	39	-1.0	-49.58	348.83	-0.66	-50.24
CC(C)C[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010783505	0	45	-1.0	-58.97	366.82	1.43	-57.54
COC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Cl	REAL300010783506	0	38	-1.0	-42.88	340.53	4.23	-38.65
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010783507	0	37	-1.0	-40.78	318.32	1.52	-39.26
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783508	0	47	-1.0	-45.75	382.75	5.98	-39.77
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010783509	0	39	-1.0	-48.75	330.13	4.16	-44.59
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010783510	0	43	-1.0	-46.43	359.39	7.22	-39.21
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010783511	0	38	-1.0	-39.82	320.82	4.58	-35.24
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010783512	0	38	-1.0	-39.90	331.16	5.07	-34.83
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783513	0	43	-1.0	-45.80	377.42	5.88	-39.92
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783514	0	47	-1.0	-42.61	381.74	5.73	-36.88
COC(CC(C)C)CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783515	0	46	-1.0	-42.39	364.66	4.21	-38.18
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783516	0	38	-1.0	-41.07	313.70	4.40	-36.67
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010783517	0	37	-1.0	-40.68	348.78	6.04	-34.64
CC(C)C[C@H](NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010783518	0	44	-1.0	-43.08	354.37	3.58	-39.50
CC(C)C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010783519	0	37	-1.0	-42.54	350.77	6.09	-36.45
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010783520	0	37	-1.0	-42.01	334.60	3.49	-38.52
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010783521	0	42	-1.0	-47.11	357.41	6.24	-40.87
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783522	0	50	-1.0	-44.73	383.49	6.68	-38.05
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010783523	0	41	-1.0	-49.90	359.58	6.19	-43.71
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783524	0	38	-1.0	-45.17	324.15	3.68	-41.49
COC1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783525	0	37	-1.0	-42.17	338.26	1.62	-40.55
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783526	0	43	-1.0	-47.71	365.15	5.66	-42.05
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783527	0	43	-1.0	-42.28	388.49	6.03	-36.25
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010783528	0	37	-1.0	-40.22	332.92	5.57	-34.65
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Cl	REAL300010783529	0	37	-1.0	-40.65	328.25	5.45	-35.20
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010783530	0	40	-1.0	-53.30	343.10	5.36	-47.94
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)=N1	REAL300010783531	0	43	-1.0	-45.77	381.25	5.86	-39.91
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783532	0	40	-1.0	-49.59	358.21	5.17	-44.42
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783532	1	39	-2.0	-135.96	367.10	5.25	-130.71
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783533	0	43	-1.0	-46.32	362.89	5.29	-41.03
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783534	0	41	-1.0	-43.66	345.99	4.60	-39.06
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783535	0	40	-1.0	-42.12	351.21	6.11	-36.01
CC(C)C[C@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010783536	0	47	-1.0	-42.09	372.25	4.40	-37.69
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010783537	0	49	-1.0	-46.68	409.63	2.15	-44.53
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010783538	0	42	-1.0	-48.71	345.83	5.53	-43.18
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010783539	0	41	-1.0	-47.52	357.91	2.21	-45.31
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010783540	0	34	-1.0	-40.70	317.24	4.97	-35.73
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC(Br)=C1	REAL300010783541	0	34	-1.0	-39.48	314.67	4.36	-35.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010783542	0	43	-1.0	-51.60	343.41	4.96	-46.64
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783543	0	44	-1.0	-48.34	366.27	3.29	-45.05
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010783544	0	40	-1.0	-42.02	345.24	5.91	-36.11
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010783545	0	40	-1.0	-45.74	343.26	5.87	-39.87
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010783546	0	40	-1.0	-44.24	350.37	6.21	-38.03
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783547	0	38	-1.0	-38.37	333.71	4.80	-33.57
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)NCCC2	REAL300010783548	0	49	-1.0	-47.21	382.80	3.20	-44.01
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S2)C1	REAL300010783549	0	45	-1.0	-45.83	383.12	4.84	-40.99
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010783550	0	41	-1.0	-43.63	367.32	6.95	-36.68
COC1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783551	0	43	-1.0	-40.52	345.29	2.62	-37.90
COC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CCOC1	REAL300010783552	0	45	-1.0	-43.72	357.11	1.83	-41.89
CC(C)C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010783553	0	37	-1.0	-42.69	340.45	5.67	-37.02
CC(C)C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010783554	0	37	-1.0	-43.07	337.21	5.56	-37.51
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010783555	0	34	-1.0	-39.66	333.03	5.49	-34.17
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783556	0	41	-1.0	-50.94	350.92	1.79	-49.15
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783557	0	59	-1.0	-43.91	475.33	9.29	-34.62
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783558	0	49	-1.0	-46.72	404.88	6.69	-40.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010783559	0	34	-1.0	-40.73	321.66	5.07	-35.66
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783560	0	40	-1.0	-45.49	353.96	5.08	-40.41
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010783561	0	48	-1.0	-47.69	403.22	7.41	-40.28
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010783562	0	48	-1.0	-47.43	412.48	7.72	-39.71
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010783563	0	33	-1.0	-46.68	301.80	3.10	-43.58
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010783563	1	32	-2.0	-137.58	305.02	2.85	-134.73
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C2)=N1	REAL300010783564	0	46	-1.0	-45.58	380.32	4.02	-41.56
COC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010783565	0	44	-1.0	-43.28	364.57	5.66	-37.62
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010783566	0	46	-1.0	-47.17	379.24	5.80	-41.37
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)N=C1	REAL300010783567	0	40	-1.0	-46.54	338.23	3.23	-43.31
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010783568	0	42	-1.0	-46.75	376.91	3.25	-43.50
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010783569	0	46	-1.0	-47.71	385.89	7.24	-40.47
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783570	0	45	-1.0	-49.18	379.62	3.49	-45.69
CCOC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CC1	REAL300010783571	0	44	-1.0	-43.75	357.62	4.62	-39.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783572	0	40	-1.0	-49.19	347.88	4.72	-44.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783572	1	39	-2.0	-137.60	352.25	5.35	-132.25
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(Cl)C=C21	REAL300010783573	0	45	-1.0	-56.21	388.25	6.04	-50.17
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783574	0	47	-1.0	-46.20	385.03	6.01	-40.19
COC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CCCC1	REAL300010783575	0	47	-1.0	-42.26	367.17	4.56	-37.70
COC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CCCCC1	REAL300010783576	0	50	-1.0	-42.42	383.77	5.10	-37.32
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010783577	0	37	-1.0	-43.41	332.49	3.86	-39.55
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010783578	0	53	-1.0	-45.46	426.46	7.42	-38.04
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010783579	0	37	-1.0	-55.57	344.47	4.21	-51.36
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783580	0	38	-1.0	-40.89	311.51	4.50	-36.39
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010783581	0	42	-1.0	-45.18	355.52	6.74	-38.44
CC(C)C[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010783582	0	41	-1.0	-44.10	336.82	4.02	-40.08
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010783583	0	47	-1.0	-44.15	395.87	6.64	-37.51
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783584	0	40	-1.0	-45.86	350.23	3.76	-42.10
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783584	1	39	-2.0	-129.65	344.92	4.02	-125.63
CCC1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN1CC1CC1	REAL300010783585	0	47	-1.0	-56.40	388.16	6.82	-49.58
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2C1	REAL300010783586	0	45	-1.0	-48.45	378.08	4.88	-43.57
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010783587	0	37	-1.0	-41.48	334.40	2.95	-38.53
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010783588	0	45	-1.0	-47.48	395.26	8.48	-39.00
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783589	0	37	-1.0	-37.89	329.47	5.58	-32.31
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010783590	0	44	-1.0	-51.60	358.72	7.82	-43.78
CC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783591	0	40	-1.0	-45.55	355.46	6.25	-39.30
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783592	0	41	-1.0	-49.36	361.06	4.97	-44.39
CC(C)C[C@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010783593	0	40	-1.0	-45.02	346.18	5.85	-39.17
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1F	REAL300010783594	0	37	-1.0	-50.31	315.28	4.80	-45.51
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010783595	0	33	-1.0	-48.02	304.55	2.57	-45.45
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010783595	1	32	-2.0	-130.08	309.42	3.30	-126.78
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010783596	0	43	-1.0	-44.55	359.53	3.41	-41.14
CC(C)C[C@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010783597	0	40	-1.0	-47.90	329.45	2.70	-45.20
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010783598	0	41	-1.0	-47.07	370.46	3.66	-43.41
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])OC=C1	REAL300010783599	0	36	-2.0	-140.54	317.66	4.17	-136.37
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])OC=C1	REAL300010783599	1	37	-1.0	-46.47	321.39	3.88	-42.59
CCC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C)C=C1OC	REAL300010783600	0	47	-1.0	-44.22	378.09	5.82	-38.40
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010783601	0	40	-1.0	-40.35	366.20	6.23	-34.12
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783602	0	42	-1.0	-46.89	364.35	5.40	-41.49
CC(C)C[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783603	0	35	-2.0	-151.22	315.82	3.57	-147.65
CC(C)C[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783603	1	36	-1.0	-51.40	317.78	3.49	-47.91
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783604	0	37	-1.0	-37.79	338.60	6.00	-31.79
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010783605	0	43	-1.0	-48.52	346.15	7.45	-41.07
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010783606	0	41	-1.0	-39.79	360.59	4.19	-35.60
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010783607	0	38	-1.0	-41.52	324.27	5.58	-35.94
CC1=CC2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C2NC1=O	REAL300010783608	0	43	-1.0	-43.76	365.71	4.12	-39.64
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010783609	0	39	-1.0	-48.72	338.50	2.83	-45.89
CC1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010783610	0	43	-1.0	-48.72	375.01	5.79	-42.93
CC(C)C[C@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010783611	0	34	-1.0	-44.56	306.37	1.88	-42.68
CC(C)C[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010783611	1	33	-2.0	-126.76	300.21	2.12	-124.64
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010783612	0	39	-1.0	-43.68	332.15	5.17	-38.51
CC(C)C[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010783613	0	40	-1.0	-44.16	340.50	5.59	-38.57
CC(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010783614	0	46	0.0	-50.69	361.70	5.30	-45.39
CC(C)C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010783615	0	51	0.0	-59.14	392.27	3.52	-55.62
CC(C)C[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010783615	1	50	-1.0	-40.56	389.12	1.11	-39.45
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010783616	0	34	-1.0	-40.71	299.70	1.89	-38.82
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783617	0	38	-1.0	-40.41	325.81	5.38	-35.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010783618	0	43	-1.0	-43.40	361.91	2.88	-40.52
CCCCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=N1	REAL300010783619	0	46	-1.0	-46.89	380.80	5.12	-41.77
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(OC)C=C1F	REAL300010783620	0	44	-1.0	-41.50	365.87	4.81	-36.69
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783621	0	44	-1.0	-48.32	361.64	5.05	-43.27
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783622	0	38	-1.0	-46.48	328.14	4.39	-42.09
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010783623	0	50	-1.0	-45.68	404.96	6.62	-39.06
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010783624	0	46	-1.0	-43.14	373.22	6.61	-36.53
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010783625	0	35	-1.0	-39.75	322.24	4.83	-34.92
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010783626	0	37	-1.0	-40.72	333.88	5.50	-35.22
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010783627	0	53	-1.0	-43.39	419.19	8.85	-34.54
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010783628	0	38	-1.0	-48.56	313.33	3.77	-44.79
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010783629	0	31	-1.0	-48.26	294.35	2.37	-45.89
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010783629	1	30	-2.0	-138.52	284.87	2.72	-135.80
CC(C)C[C@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010783630	0	42	-1.0	-48.19	362.19	5.18	-43.01
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010783631	0	33	-1.0	-40.89	320.06	3.57	-37.32
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010783631	1	32	-2.0	-120.76	317.42	3.24	-117.52
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010783632	0	33	-1.0	-48.05	299.94	2.49	-45.56
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010783632	1	32	-2.0	-129.68	304.82	3.23	-126.45
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010783633	0	33	-1.0	-47.38	288.03	1.95	-45.43
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010783633	1	32	-2.0	-126.63	299.48	2.14	-124.49
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783634	0	37	-1.0	-41.61	324.27	2.38	-39.23
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010783635	0	39	-1.0	-45.24	350.49	5.21	-40.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010783636	0	36	-1.0	-41.35	334.74	4.24	-37.11
CC(C)C[C@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010783637	0	44	-1.0	-47.08	362.27	5.94	-41.14
CC(C)C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010783638	0	38	-1.0	-62.96	325.96	1.67	-61.29
CC(C)C[C@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010783639	0	37	-1.0	-40.08	332.03	5.14	-34.94
CC(C)C[C@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010783640	0	33	-1.0	-46.17	321.83	2.70	-43.47
CCS(=O)(CC)=NS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783641	0	40	-1.0	-60.85	339.21	2.02	-58.83
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010783642	0	36	-1.0	-45.38	323.40	5.55	-39.83
CC(C)C[C@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010783643	0	42	-1.0	-46.79	343.93	3.74	-43.05
CCN1CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=O	REAL300010783644	0	41	-1.0	-47.18	329.41	2.60	-44.58
CCOC(=O)C1(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC1	REAL300010783645	0	43	-1.0	-48.36	351.73	5.17	-43.19
CC(C)C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010783646	0	45	-1.0	-46.40	378.32	0.95	-45.45
CC(C)C[C@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010783647	0	35	-1.0	-40.21	337.96	3.49	-36.72
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783648	0	43	-1.0	-42.74	371.00	5.71	-37.03
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010783649	0	36	-2.0	-134.27	341.17	5.13	-129.14
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010783649	1	37	-1.0	-47.68	335.95	6.04	-41.64
CC(C)C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010783650	0	37	-1.0	-42.28	324.58	3.05	-39.23
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010783650	1	36	-2.0	-126.27	319.75	3.17	-123.10
CC(C)C[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010783651	0	44	-1.0	-46.78	352.32	4.36	-42.42
CC(C)C[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010783652	0	31	-1.0	-52.17	300.79	3.79	-48.38
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010783653	0	46	-1.0	-40.96	354.87	4.67	-36.29
CC(C)C[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010783654	0	44	-1.0	-48.35	362.41	4.73	-43.62
CC(C)C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010783655	0	37	-1.0	-40.88	323.30	3.13	-37.75
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010783656	0	34	-1.0	-47.75	301.35	1.92	-45.83
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010783657	0	36	-1.0	-45.96	323.27	4.03	-41.93
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783658	0	41	-1.0	-45.54	348.63	4.44	-41.10
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010783659	0	48	-1.0	-51.40	401.04	5.56	-45.84
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010783660	0	34	-2.0	-111.59	293.14	3.04	-108.55
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010783660	1	35	-1.0	-43.84	309.26	2.17	-41.67
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783661	0	44	-1.0	-43.99	372.21	7.15	-36.84
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783662	0	37	-1.0	-51.54	323.80	1.98	-49.56
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783662	1	36	-2.0	-149.77	318.46	2.29	-147.48
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783663	0	37	-1.0	-37.78	338.62	6.00	-31.78
CCC1=NN(C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783664	0	40	-1.0	-46.68	338.26	3.30	-43.38
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783665	0	39	-1.0	-49.44	341.95	4.98	-44.46
CC(C)C[C@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010783666	0	43	-1.0	-64.11	358.60	2.42	-61.69
CC(C)C[C@H]([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010783666	1	42	-2.0	-165.60	349.10	2.59	-163.01
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010783667	0	56	-1.0	-43.68	445.71	8.15	-35.53
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C#N)=C1	REAL300010783668	0	38	-1.0	-45.99	334.11	5.29	-40.70
CC1=CC=CC(C#N)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783669	0	38	-1.0	-46.09	323.19	5.46	-40.63
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010783670	0	37	-1.0	-43.55	334.22	5.31	-38.24
CC(C)C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010783671	0	45	-1.0	-46.52	383.78	5.09	-41.43
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010783672	0	38	-1.0	-43.66	343.64	6.08	-37.58
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(C)(C)C	REAL300010783673	0	56	-1.0	-45.00	436.82	8.07	-36.93
CCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1CC	REAL300010783674	0	50	-1.0	-44.58	409.19	6.89	-37.69
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010783675	0	41	-1.0	-46.44	358.39	6.36	-40.08
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783676	0	40	-1.0	-41.36	339.44	6.53	-34.83
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783677	0	48	-1.0	-48.94	375.30	4.28	-44.66
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010783678	0	37	-1.0	-42.80	345.54	5.99	-36.81
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010783679	0	37	-1.0	-44.32	339.75	5.62	-38.70
CC(C)C[C@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010783680	0	44	-1.0	-45.88	374.55	6.25	-39.63
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783681	0	40	-1.0	-39.89	351.09	6.17	-33.72
CC1=CN=C(Cl)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783682	0	36	-1.0	-51.55	321.33	3.59	-47.96
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783683	0	38	-1.0	-47.78	341.26	4.57	-43.21
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1F	REAL300010783683	1	37	-2.0	-138.13	336.38	4.82	-133.31
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783684	0	44	-1.0	-41.22	368.15	6.61	-34.61
CC(C)C[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010783685	0	46	-1.0	-41.66	357.86	5.76	-35.90
CCOC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])N(C)N=C1	REAL300010783686	0	43	-1.0	-46.75	360.09	4.16	-42.59
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010783687	0	38	-1.0	-44.90	340.80	6.01	-38.89
CC(C)C[C@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010783688	0	39	-1.0	-41.39	333.03	4.46	-36.93
CC(C)C[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010783689	0	43	-1.0	-42.18	360.33	6.60	-35.58
CC(C)C[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010783690	0	39	-1.0	-45.19	315.89	1.64	-43.55
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010783691	0	38	-1.0	-44.47	329.21	-0.18	-44.65
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783692	0	43	-1.0	-42.96	341.66	7.21	-35.75
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC	REAL300010783693	0	46	-1.0	-50.23	400.34	6.07	-44.16
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783694	0	47	-1.0	-45.59	391.94	5.05	-40.54
CC(C)C[C@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010783695	0	43	-1.0	-48.32	355.70	5.04	-43.28
CC(C)C[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010783696	0	34	-1.0	-42.73	305.66	4.47	-38.26
COC(=O)C1=CC=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783697	0	39	-1.0	-47.64	343.76	3.06	-44.58
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010783698	0	40	-1.0	-42.64	345.24	5.87	-36.77
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783699	0	50	-1.0	-47.56	406.13	7.12	-40.44
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010783700	0	39	-1.0	-49.11	331.10	4.93	-44.18
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010783701	0	54	-1.0	-56.77	418.96	6.74	-50.03
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783702	0	41	-1.0	-49.76	354.20	4.52	-45.24
CC(C)C[C@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010783703	0	32	-1.0	-45.02	287.07	3.10	-41.92
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010783704	0	48	-1.0	-43.70	390.56	4.44	-39.26
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010783705	0	49	-1.0	-58.96	405.70	7.03	-51.93
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C21	REAL300010783706	0	48	-1.0	-60.56	393.57	6.26	-54.30
COC1=NC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783707	0	37	-1.0	-46.31	304.74	1.48	-44.83
CCC1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300010783708	0	45	-1.0	-41.92	352.26	4.84	-37.08
CC(C)C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010783709	0	41	-2.0	-96.77	340.26	4.11	-92.66
CC(C)C[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010783710	0	41	-1.0	-47.50	344.55	4.08	-43.42
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010783711	0	41	-1.0	-44.36	337.97	4.28	-40.08
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010783712	0	44	-1.0	-44.61	361.58	4.91	-39.70
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010783713	0	46	-1.0	-45.89	380.32	7.07	-38.82
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783714	0	47	-1.0	-44.78	381.25	5.83	-38.95
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783715	0	44	-1.0	-48.99	366.62	5.13	-43.86
CC(C)C[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010783716	0	45	-1.0	-45.31	353.93	2.71	-42.60
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010783717	0	40	-1.0	-47.15	361.84	5.26	-41.89
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010783718	0	40	-1.0	-44.08	345.37	1.63	-42.45
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010783719	0	30	-2.0	-128.22	296.59	2.65	-125.57
CC(C)C[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010783719	1	31	-1.0	-44.42	295.66	3.08	-41.34
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010783720	0	41	-1.0	-54.82	329.00	3.89	-50.93
COC1=C(F)C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783721	0	38	-1.0	-42.26	340.88	3.92	-38.34
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010783722	0	38	-1.0	-42.31	322.18	3.35	-38.96
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(C)C	REAL300010783723	0	59	-1.0	-44.77	469.47	8.99	-35.78
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783724	0	50	-1.0	-44.36	393.67	6.39	-37.97
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010783725	0	44	-1.0	-44.16	368.46	5.76	-38.40
CC1=CSC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783726	0	37	-1.0	-42.08	315.62	4.87	-37.21
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010783727	0	42	-1.0	-49.16	350.84	4.92	-44.24
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010783728	0	42	-1.0	-44.52	363.68	4.06	-40.46
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010783729	0	42	-1.0	-44.21	363.24	6.57	-37.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783730	0	38	-1.0	-46.02	331.05	5.03	-40.99
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783730	1	37	-2.0	-134.35	328.92	4.74	-129.61
CC1=C(Br)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C)S1	REAL300010783731	0	37	-1.0	-42.54	336.34	5.69	-36.85
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(Br)=C1	REAL300010783732	0	37	-1.0	-43.92	340.17	6.35	-37.57
CCC1=CN=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783733	0	39	-1.0	-45.19	332.93	3.99	-41.20
COC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=N1	REAL300010783734	0	39	-1.0	-44.10	345.58	3.26	-40.84
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C21	REAL300010783735	0	51	-1.0	-63.07	403.44	6.32	-56.75
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010783736	0	40	-1.0	-47.87	347.77	4.97	-42.90
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C21	REAL300010783737	0	48	-1.0	-44.02	389.88	5.80	-38.22
CC(C)C[C@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010783738	0	31	-1.0	-52.17	297.37	3.66	-48.51
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010783739	0	34	-1.0	-41.78	313.73	2.49	-39.29
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010783740	0	36	-1.0	-40.82	328.89	3.52	-37.30
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783741	0	39	-1.0	-57.93	335.36	3.96	-53.97
CC(C)C[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010783742	0	43	-1.0	-42.61	339.19	4.35	-38.26
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010783743	0	38	-1.0	-46.04	334.90	4.40	-41.64
CC(C)C[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010783744	0	35	-1.0	-41.67	309.89	3.17	-38.50
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010783745	0	37	-1.0	-55.99	339.91	4.09	-51.90
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010783746	0	37	-1.0	-47.93	333.84	5.82	-42.11
CC(C)C[C@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010783747	0	41	-1.0	-46.66	345.49	4.15	-42.51
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1F	REAL300010783748	0	43	-1.0	-43.78	347.75	6.62	-37.16
COC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010783749	0	42	-1.0	-49.41	350.72	4.17	-45.24
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010783750	0	43	-1.0	-57.69	363.33	1.60	-56.09
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010783751	0	35	-1.0	-40.24	335.17	5.30	-34.94
CC(C)C[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010783752	0	37	-1.0	-45.74	309.72	4.10	-41.64
COC1=CC=C(F)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010783753	0	42	-1.0	-49.25	351.29	4.68	-44.57
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783754	0	36	-2.0	-124.47	346.11	4.02	-120.45
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783754	1	37	-1.0	-43.18	351.37	3.72	-39.46
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010783755	0	47	-1.0	-46.87	378.33	5.12	-41.75
CC(C)C[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010783756	0	38	-1.0	-44.97	344.25	6.24	-38.73
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010783757	0	41	-1.0	-47.94	351.20	4.22	-43.72
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010783758	0	36	-2.0	-100.42	316.37	4.58	-95.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010783759	0	38	-1.0	-47.11	334.24	3.93	-43.18
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010783760	0	38	-1.0	-47.86	335.23	4.45	-43.41
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010783761	0	37	-1.0	-49.01	324.07	3.57	-45.44
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010783761	1	36	-2.0	-142.97	314.95	3.90	-139.07
CC(C)C[C@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010783762	0	39	-1.0	-57.21	325.85	2.90	-54.31
CC(C)C[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010783763	0	37	-1.0	-45.74	309.72	4.10	-41.64
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010783764	0	34	-2.0	-108.62	321.38	4.38	-104.24
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300010783765	0	40	-1.0	-40.62	342.53	6.12	-34.50
CC(C)C[C@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010783766	0	45	-1.0	-42.14	349.43	4.86	-37.28
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010783767	0	40	-1.0	-41.21	362.89	5.50	-35.71
CC(C)C[C@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010783768	0	37	-1.0	-45.61	328.61	4.78	-40.83
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010783769	0	44	-1.0	-47.23	364.62	4.64	-42.59
CC(C)C[C@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010783770	0	42	-1.0	-41.84	349.11	4.23	-37.61
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010783771	0	52	-1.0	-44.00	404.40	8.26	-35.74
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010783772	0	40	-1.0	-40.60	365.86	6.28	-34.32
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010783773	0	31	-1.0	-51.99	297.53	3.79	-48.20
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010783774	0	44	-1.0	-47.27	368.97	5.00	-42.27
CC(C)C[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010783775	0	38	-1.0	-43.31	319.38	5.20	-38.11
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010783776	0	45	-1.0	-40.65	373.45	7.02	-33.63
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010783777	0	47	-1.0	-51.12	384.82	2.75	-48.37
COC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010783778	0	43	-1.0	-57.95	359.51	5.58	-52.37
CCCC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783779	0	43	-1.0	-43.70	359.04	6.59	-37.11
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783780	0	40	-1.0	-46.25	348.08	2.72	-43.53
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010783781	0	35	-1.0	-42.37	319.20	4.70	-37.67
CC(C)C[C@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010783782	0	41	-1.0	-46.64	337.10	3.88	-42.76
CC(C)C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783783	0	38	-1.0	-38.55	351.45	5.71	-32.84
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010783784	0	46	-1.0	-46.30	395.32	7.30	-39.00
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010783785	0	43	-1.0	-44.29	337.61	4.27	-40.02
CC(C)C[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010783786	0	43	-1.0	-46.51	359.44	4.10	-42.41
CC(C)C[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010783787	0	41	-1.0	-44.51	339.75	3.28	-41.23
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010783788	0	39	-1.0	-41.17	345.92	4.18	-36.99
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010783789	0	37	-1.0	-39.60	340.47	5.45	-34.15
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010783790	0	37	-1.0	-42.86	322.64	5.20	-37.66
CC(C)C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010783791	0	34	-1.0	-40.92	310.14	4.72	-36.20
CC(C)C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010783792	0	34	-1.0	-40.31	326.38	4.48	-35.83
CC(C)C[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010783793	0	39	-1.0	-42.00	321.26	3.73	-38.27
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783794	0	44	-1.0	-47.78	377.18	3.38	-44.40
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783795	0	31	-1.0	-44.26	299.38	3.08	-41.18
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010783795	1	30	-2.0	-128.66	291.84	3.38	-125.28
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010783796	0	37	-1.0	-38.50	346.55	5.82	-32.68
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010783797	0	37	-1.0	-44.24	311.69	5.55	-38.69
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783798	0	45	-1.0	-49.16	379.58	6.39	-42.77
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010783799	0	45	-1.0	-44.87	360.27	7.30	-37.57
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010783800	0	44	-1.0	-46.97	374.88	6.11	-40.86
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010783801	0	40	-1.0	-43.02	357.08	5.39	-37.63
CC(C)C[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010783802	0	40	-1.0	-45.42	336.43	4.82	-40.60
CC(C)C[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010783803	0	39	-1.0	-38.86	332.90	5.02	-33.84
CC(C)C[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010783804	0	41	-1.0	-46.39	343.36	2.65	-43.74
CC(C)C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010783805	0	34	-1.0	-53.14	326.13	5.40	-47.74
CC(C)C[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010783806	0	34	-1.0	-40.51	306.74	4.53	-35.98
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010783807	0	41	-1.0	-44.23	343.87	6.51	-37.72
COC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=CS1	REAL300010783808	0	35	-1.0	-42.09	301.44	3.34	-38.75
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783809	0	37	-1.0	-40.46	320.98	5.82	-34.64
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783810	0	40	-1.0	-42.75	359.98	4.68	-38.07
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010783811	0	41	-1.0	-47.06	335.76	6.11	-40.95
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010783812	0	44	-1.0	-45.23	359.83	4.99	-40.24
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783813	0	43	-1.0	-44.53	354.96	4.25	-40.28
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783814	0	43	-1.0	-48.81	365.86	1.90	-46.91
CC(C)C[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010783815	0	37	-1.0	-53.19	348.94	0.86	-52.33
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783816	0	43	-1.0	-48.81	365.86	1.90	-46.91
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010783817	0	35	-1.0	-48.00	318.88	4.69	-43.31
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783818	0	37	-1.0	-43.48	314.27	5.74	-37.74
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783819	0	46	-1.0	-50.95	378.43	7.98	-42.97
CC(C)C[C@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010783820	0	48	-1.0	-42.33	359.73	5.31	-37.02
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010783821	0	34	-1.0	-42.59	316.65	3.61	-38.98
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010783821	1	33	-2.0	-126.95	311.32	3.85	-123.10
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783822	0	38	-1.0	-37.83	317.72	4.59	-33.24
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010783823	0	48	-1.0	-46.41	388.37	3.43	-42.98
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010783824	0	40	-1.0	-44.63	347.86	5.93	-38.70
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010783825	0	38	-1.0	-44.99	332.00	3.90	-41.09
CC(C)C[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010783826	0	49	-1.0	-42.59	390.52	7.04	-35.55
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783827	0	35	-1.0	-42.37	316.55	2.78	-39.59
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=NC=CC=C12	REAL300010783828	0	45	-1.0	-54.81	366.43	6.72	-48.09
CC(C)C[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010783829	0	42	-1.0	-39.61	350.52	4.53	-35.08
CC(C)C[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010783830	0	37	-1.0	-45.55	327.67	3.06	-42.49
CCOCC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783831	0	44	-1.0	-44.87	371.92	5.04	-39.83
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783832	0	43	-1.0	-45.10	369.55	6.41	-38.69
CC(C)C[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010783833	0	44	-1.0	-48.75	374.68	5.56	-43.19
CC(C)C[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010783834	0	47	-1.0	-47.90	381.39	5.32	-42.58
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010783835	0	45	-1.0	-45.45	383.70	7.22	-38.23
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010783836	0	37	-1.0	-44.23	308.01	5.05	-39.18
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783837	0	46	-1.0	-45.38	380.67	7.27	-38.11
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC(C)=C1Br	REAL300010783838	0	40	-1.0	-41.62	350.50	6.10	-35.52
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010783839	0	39	-1.0	-47.57	354.05	5.80	-41.77
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010783839	1	38	-2.0	-133.10	350.21	6.09	-127.01
CC(C)C[C@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010783840	0	33	-1.0	-45.26	314.31	2.56	-42.70
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010783841	0	35	-1.0	-49.27	306.81	4.33	-44.94
CC(C)C[C@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010783842	0	38	-1.0	-39.87	331.39	3.81	-36.06
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010783843	0	34	-2.0	-111.59	293.14	3.04	-108.55
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010783843	1	35	-1.0	-43.84	309.26	2.17	-41.67
CC(C)C[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010783844	0	40	-1.0	-43.61	364.33	5.87	-37.74
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010783844	1	39	-2.0	-129.68	369.04	5.31	-124.37
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010783845	0	33	-1.0	-38.66	312.28	3.02	-35.64
CC(C)C[C@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010783846	0	46	-1.0	-44.73	377.68	2.03	-42.70
CCN1N=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010783847	0	37	-1.0	-41.67	320.26	2.69	-38.98
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010783848	0	38	-1.0	-44.73	344.82	6.10	-38.63
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C2	REAL300010783849	0	40	-1.0	-43.29	380.10	5.59	-37.70
CC(C)C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010783850	0	33	-2.0	-132.74	315.33	5.60	-127.14
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783851	0	36	-1.0	-46.86	322.14	3.15	-43.71
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783851	1	35	-2.0	-126.05	333.57	3.31	-122.74
CC(C)C[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010783852	0	39	-1.0	-49.49	351.46	5.54	-43.95
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010783853	0	39	-1.0	-50.50	345.90	5.40	-45.10
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783854	0	36	-1.0	-46.86	322.14	3.15	-43.71
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010783854	1	35	-2.0	-126.05	333.57	3.31	-122.74
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010783855	0	43	-1.0	-47.30	348.47	7.09	-40.21
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783856	0	38	-1.0	-49.06	346.42	5.35	-43.71
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783856	1	37	-2.0	-140.79	337.35	5.48	-135.31
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010783857	0	41	-1.0	-44.60	352.57	4.77	-39.83
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010783858	0	48	-1.0	-42.80	396.88	5.80	-37.00
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010783859	0	34	-1.0	-44.29	310.71	4.64	-39.65
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010783859	1	33	-2.0	-129.40	314.96	5.25	-124.15
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300010783860	0	40	-1.0	-59.47	358.63	0.69	-58.78
CC(C)C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010783861	0	44	-1.0	-49.68	362.43	5.56	-44.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010783862	0	40	-1.0	-45.89	366.21	1.77	-44.12
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010783863	0	38	-1.0	-44.92	333.32	5.63	-39.29
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010783864	0	38	-1.0	-43.56	348.20	6.17	-37.39
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010783865	0	38	-1.0	-43.64	347.85	6.21	-37.43
CC(C)C[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010783866	0	39	-1.0	-42.32	336.76	-1.72	-44.04
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010783867	0	37	-1.0	-51.34	318.23	4.69	-46.65
CC(C)C[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010783868	0	40	-1.0	-56.48	322.96	4.52	-51.96
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010783869	0	36	-1.0	-46.78	325.95	3.79	-42.99
CC(C)C[C@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010783870	0	42	-1.0	-43.00	347.23	1.50	-41.50
CC1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010783871	0	43	-1.0	-54.02	364.81	4.23	-49.79
CC1=NC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010783871	1	42	-2.0	-146.66	363.39	3.59	-143.07
CC(C)C[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010783872	0	51	-1.0	-43.13	370.57	7.18	-35.95
CC(C)C[C@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010783873	0	44	-1.0	-43.64	353.60	3.62	-40.02
CC(C)C[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010783874	0	37	-1.0	-45.45	324.56	0.02	-45.43
CC(C)C[C@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010783875	0	42	-1.0	-47.07	332.56	4.76	-42.31
CC(C)C[C@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010783876	0	42	-1.0	-54.07	362.92	1.15	-52.92
CC(C)C[C@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010783877	0	47	-1.0	-43.15	367.84	4.71	-38.44
CCOC(=O)C1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C2C=CC=CN12	REAL300010783878	0	46	-1.0	-59.79	396.01	6.09	-53.70
CC(C)C[C@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010783879	0	44	-1.0	-41.78	364.10	6.60	-35.18
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010783880	0	38	-1.0	-50.22	341.55	3.34	-46.88
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C2C=C1	REAL300010783881	0	43	-1.0	-50.39	374.21	6.22	-44.17
CC(C)C[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010783882	0	44	-1.0	-42.52	376.87	7.21	-35.31
CC(C)C[C@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010783883	0	43	-1.0	-42.05	342.74	1.76	-40.29
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783884	0	43	-1.0	-43.96	366.52	5.18	-38.78
CC(C)C[C@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010783885	0	47	-1.0	-41.21	357.81	6.26	-34.95
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010783886	0	38	-1.0	-44.19	336.56	5.65	-38.54
COC(=O)C1CCCCN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783887	0	45	-1.0	-42.88	359.99	5.18	-37.70
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010783888	0	56	-1.0	-47.36	424.65	8.55	-38.81
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010783889	0	37	-1.0	-43.11	340.10	5.20	-37.91
COC1=CC=C(C=C(C)S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783890	0	45	-1.0	-46.34	365.81	5.30	-41.04
CC1=CC=CC(CNS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783891	0	42	-1.0	-42.48	349.01	4.12	-38.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=NN1	REAL300010783892	0	40	-1.0	-43.81	346.42	2.52	-41.29
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783892	1	39	-2.0	-110.93	349.42	1.96	-108.97
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=N[N-]1	REAL300010783892	1	39	-2.0	-110.85	349.51	1.97	-108.88
COC1=CSC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010783893	0	39	-1.0	-40.58	335.19	2.02	-38.56
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783894	0	36	-2.0	-123.82	342.04	3.92	-119.90
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783894	1	37	-1.0	-43.04	347.30	3.61	-39.43
CC(C)C[C@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010783895	0	46	-1.0	-42.34	353.72	4.84	-37.50
CC(C)C[C@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010783896	0	45	-1.0	-42.11	374.63	6.29	-35.82
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783897	0	38	-1.0	-45.58	345.26	5.60	-39.98
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783897	1	37	-2.0	-136.22	338.07	5.66	-130.56
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010783898	0	38	-1.0	-45.59	341.74	5.15	-40.44
COC1=CC(F)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783899	0	38	-1.0	-45.36	332.55	3.92	-41.44
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010783899	1	37	-2.0	-139.41	325.44	4.21	-135.20
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010783900	0	38	-1.0	-46.51	340.49	3.99	-42.52
CC(C)C[C@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010783901	0	40	-1.0	-47.72	336.14	4.29	-43.43
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010783902	0	37	-1.0	-44.89	321.05	5.77	-39.12
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010783903	0	43	-1.0	-43.05	373.88	4.87	-38.18
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010783904	0	31	-1.0	-38.14	320.09	4.48	-33.66
CC(C)C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010783904	1	30	-2.0	-121.42	312.54	4.74	-116.68
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010783905	0	34	-1.0	-41.23	298.23	1.86	-39.37
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783906	0	47	-1.0	-50.01	380.92	6.60	-43.41
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010783907	0	51	-1.0	-45.14	413.39	6.28	-38.86
CC(C)C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010783908	0	37	-1.0	-46.53	348.43	5.73	-40.80
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010783909	0	39	-1.0	-46.40	347.26	5.03	-41.37
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783910	0	42	-1.0	-50.25	342.60	3.90	-46.35
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010783911	0	45	-1.0	-49.93	384.16	7.24	-42.69
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010783912	0	40	-1.0	-46.74	326.74	6.19	-40.55
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783913	0	37	-1.0	-51.54	323.80	1.98	-49.56
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-]	REAL300010783913	1	36	-2.0	-149.77	318.46	2.29	-147.48
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010783914	0	39	-1.0	-42.38	349.88	2.97	-39.41
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010783915	0	35	-1.0	-44.16	323.03	3.23	-40.93
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783916	0	36	-1.0	-39.46	315.92	3.70	-35.76
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783917	0	45	-1.0	-45.52	378.32	6.01	-39.51
CCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C2CC2)=N1	REAL300010783918	0	44	-1.0	-48.45	372.79	5.09	-43.36
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010783919	0	38	-1.0	-46.17	325.57	3.46	-42.71
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010783920	0	40	-1.0	-44.25	357.63	7.16	-37.09
CC(=O)OC1CCN(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300010783921	0	42	-1.0	-43.54	353.63	3.61	-39.93
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010783922	0	44	-1.0	-45.06	385.92	8.29	-36.77
COC(=O)C1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C(Cl)S1	REAL300010783923	0	37	-1.0	-42.64	347.01	5.30	-37.34
CCC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010783924	0	40	-1.0	-41.25	353.69	6.28	-34.97
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783925	0	47	-1.0	-45.08	379.56	5.53	-39.55
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010783926	0	31	-1.0	-39.50	303.46	3.91	-35.59
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783927	0	48	-1.0	-43.77	381.69	4.93	-38.84
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010783928	0	40	-1.0	-54.72	350.37	7.08	-47.64
CC(C)C[C@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010783929	0	42	-1.0	-47.19	341.76	1.96	-45.23
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010783930	0	41	-1.0	-44.14	335.53	6.51	-37.63
CC(C)C[C@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010783931	0	45	-1.0	-43.37	339.29	4.27	-39.10
CC(C)C[C@H](NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010783932	0	43	-1.0	-45.35	344.63	0.88	-44.47
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783933	0	48	-1.0	-43.53	399.62	5.12	-38.41
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010783934	0	49	-1.0	-45.71	397.29	4.76	-40.95
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783935	0	37	-1.0	-41.65	319.70	2.27	-39.38
COC1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783936	0	40	-1.0	-43.94	342.31	1.78	-42.16
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010783937	0	43	-1.0	-45.76	357.94	4.52	-41.24
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783938	0	43	-1.0	-47.53	356.17	4.12	-43.41
CC(C)C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010783939	0	33	-1.0	-41.97	322.34	2.33	-39.64
CC(C)C[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010783940	0	44	-1.0	-45.42	350.33	1.72	-43.70
COCC1=CC(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=NO1	REAL300010783941	0	40	-1.0	-46.22	347.97	2.20	-44.02
CC(C)C[C@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010783942	0	32	-1.0	-59.09	286.96	3.55	-55.54
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010783943	0	37	-1.0	-55.57	344.47	4.21	-51.36
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010783944	0	31	-2.0	-131.81	298.53	2.52	-129.29
CC(C)C[C@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010783944	1	32	-1.0	-45.34	308.02	2.15	-43.19
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783945	0	38	-1.0	-53.88	343.43	2.38	-51.50
CC1=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C(C)S1	REAL300010783946	0	40	-1.0	-42.99	335.56	5.69	-37.30
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010783947	0	33	-1.0	-46.97	299.15	3.02	-43.95
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010783947	1	32	-2.0	-138.47	301.35	2.72	-135.75
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783948	0	38	-1.0	-40.89	328.60	4.95	-35.94
COC1=CC=NC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783949	0	37	-1.0	-42.15	300.81	2.63	-39.52
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010783950	0	36	-1.0	-44.41	329.91	3.48	-40.93
COC1=NC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1Cl	REAL300010783951	0	37	-1.0	-43.41	330.06	1.56	-41.85
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783952	0	43	-1.0	-50.25	373.76	3.45	-46.80
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])S1	REAL300010783952	1	42	-2.0	-107.65	370.41	2.29	-105.36
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783953	0	41	-1.0	-53.09	353.02	1.89	-51.20
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010783954	0	38	-1.0	-40.94	357.52	6.52	-34.42
CC(C)C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783955	0	39	-1.0	-39.68	340.72	6.35	-33.33
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010783956	0	32	-2.0	-137.31	306.42	3.58	-133.73
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010783956	1	33	-1.0	-45.13	315.55	3.26	-41.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010783957	0	45	-1.0	-50.92	360.91	5.34	-45.58
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010783958	0	40	-1.0	-44.63	336.72	3.64	-40.99
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CN=C12	REAL300010783959	0	42	-1.0	-46.43	346.01	5.49	-40.94
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010783960	0	42	-1.0	-43.08	361.42	3.76	-39.32
CC(C)C[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010783961	0	37	-1.0	-42.96	326.58	6.09	-36.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010783962	0	41	-1.0	-43.71	339.42	4.94	-38.77
CC(C)C[C@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010783963	0	41	-1.0	-49.56	346.20	5.69	-43.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010783964	0	36	-1.0	-45.41	322.82	3.30	-42.11
CC(C)C[C@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010783965	0	39	-1.0	-49.66	329.86	4.80	-44.86
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=NN1C(C)C	REAL300010783966	0	43	-1.0	-44.69	351.30	3.94	-40.75
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010783967	0	41	-1.0	-45.42	354.90	6.58	-38.84
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010783968	0	36	-1.0	-46.29	324.24	3.49	-42.80
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010783969	0	34	-1.0	-40.44	311.38	4.92	-35.52
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=C1NCCC2	REAL300010783970	0	46	-1.0	-43.85	360.99	5.21	-38.64
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300010783971	0	48	-1.0	-45.78	404.00	7.92	-37.86
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010783972	0	41	-1.0	-43.61	356.15	6.64	-36.97
CC(C)C[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010783973	0	31	-1.0	-52.17	300.79	3.79	-48.38
CC(C)C[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010783974	0	38	-1.0	-45.93	330.31	4.28	-41.65
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783975	0	36	-1.0	-39.54	320.49	3.78	-35.76
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010783976	0	39	-1.0	-52.55	321.83	5.60	-46.95
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300010783977	0	43	-1.0	-44.63	356.45	6.25	-38.38
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010783978	0	45	-1.0	-47.70	378.87	8.52	-39.18
CC1=CN=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300010783979	0	39	-1.0	-51.82	320.85	4.54	-47.28
CC(C)C[C@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010783980	0	37	-1.0	-47.33	320.75	4.94	-42.39
CC(C)C[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010783981	0	33	-1.0	-40.79	310.97	3.19	-37.60
CC(C)C[C@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783982	0	36	-1.0	-47.33	317.34	3.92	-43.41
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010783982	1	35	-2.0	-140.34	308.53	4.29	-136.05
CC(C)C[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010783983	0	37	-1.0	-38.57	326.01	4.12	-34.45
CC(C)C[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010783984	0	42	-1.0	-41.46	344.22	0.04	-41.42
CC(C)C[C@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010783985	0	41	-1.0	-44.21	325.87	2.52	-41.69
CC(C)C[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010783986	0	40	-1.0	-40.14	333.06	3.87	-36.27
CC1=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300010783987	0	36	-1.0	-45.16	319.14	4.02	-41.14
CC(C)C[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010783988	0	32	-2.0	-131.09	315.49	4.03	-127.06
CC(C)C[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010783988	1	33	-1.0	-42.96	323.04	3.75	-39.21
CC(C)C[C@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010783989	0	38	-1.0	-53.59	335.23	3.90	-49.69
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010783990	0	38	-1.0	-44.92	333.32	5.63	-39.29
CC(C)C[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010783991	0	38	-1.0	-43.87	343.29	6.10	-37.77
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010783992	0	43	-1.0	-49.53	375.11	3.95	-45.58
COC1=CC=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300010783993	0	37	-1.0	-47.56	318.33	1.70	-45.86
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010783994	0	41	-1.0	-43.37	347.73	6.64	-36.73
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(Cl)=C1Cl	REAL300010783995	0	37	-1.0	-51.73	338.52	5.86	-45.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010783996	0	38	-1.0	-41.83	334.54	3.84	-37.99
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C(F)F)=C1	REAL300010783997	0	41	-1.0	-45.44	340.16	4.98	-40.46
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC	REAL300010783998	0	47	-1.0	-48.70	398.94	5.99	-42.71
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2C1	REAL300010783999	0	47	-1.0	-46.37	394.02	6.90	-39.47
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])N=C1	REAL300010784000	0	37	-1.0	-46.94	310.66	2.55	-44.39
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1F	REAL300010784500	0	35	-1.0	-50.11	296.08	3.81	-46.30
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010784501	0	35	-1.0	-54.71	319.97	4.56	-50.15
COC(=O)C1CCCCC1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784502	0	40	-1.0	-48.05	316.60	4.70	-43.35
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784503	0	43	-1.0	-51.75	347.63	5.09	-46.66
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784504	0	36	-1.0	-54.37	330.33	6.64	-47.73
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784505	0	35	-1.0	-57.93	311.96	2.90	-55.03
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784506	0	36	-1.0	-50.65	306.95	5.68	-44.97
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010784507	0	33	-1.0	-51.11	308.55	4.63	-46.48
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010784508	0	28	-1.0	-46.88	283.40	5.12	-41.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010784509	0	25	-1.0	-50.01	260.00	2.76	-47.25
COC1=CC(Br)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784510	0	32	-1.0	-48.57	305.81	3.98	-44.59
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN1C	REAL300010784511	0	38	-1.0	-47.88	336.48	5.00	-42.88
CN(CCC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010784512	0	41	-1.0	-56.92	364.34	5.10	-51.82
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C12	REAL300010784513	0	35	-1.0	-51.73	316.86	1.73	-50.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010784514	0	40	-1.0	-50.82	336.96	5.44	-45.38
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010784515	0	35	-1.0	-51.08	314.34	5.68	-45.40
CSC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784516	0	32	-1.0	-50.40	308.08	5.44	-44.96
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784517	0	30	-1.0	-46.63	294.91	4.40	-42.23
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784518	0	38	-1.0	-55.82	336.68	0.53	-55.29
COC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN=C1Cl	REAL300010784519	0	31	-1.0	-45.47	295.88	2.01	-43.46
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C21	REAL300010784520	0	37	-1.0	-55.69	330.95	5.02	-50.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010784521	0	43	-1.0	-46.23	366.62	4.42	-41.81
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784522	0	46	0.0	-80.87	371.32	5.27	-75.60
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784523	0	31	-1.0	-45.87	282.77	5.07	-40.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010784524	0	32	-1.0	-58.83	294.11	4.17	-54.66
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784525	0	34	-1.0	-48.89	324.11	5.16	-43.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010784526	0	28	-1.0	-45.67	297.40	5.42	-40.25
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010784527	0	28	-1.0	-49.89	276.61	4.59	-45.30
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784528	0	36	-1.0	-53.03	304.89	4.51	-48.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1C	REAL300010784529	0	55	-1.0	-51.29	442.34	8.68	-42.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010784530	0	37	-1.0	-49.88	314.44	5.42	-44.46
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784531	0	42	-1.0	-55.86	369.96	5.21	-50.65
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010784532	0	29	-1.0	-50.41	281.00	4.72	-45.69
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010784533	0	31	-1.0	-50.66	298.97	3.13	-47.53
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010784534	0	43	-1.0	-55.68	354.71	5.17	-50.51
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010784535	0	34	-1.0	-47.12	320.03	6.85	-40.27
COC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784536	0	31	-1.0	-47.93	323.20	4.51	-43.42
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784537	0	36	-1.0	-54.86	322.80	2.24	-52.62
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010784539	0	31	-1.0	-45.26	310.47	5.57	-39.69
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784540	0	39	-1.0	-59.08	332.91	3.08	-56.00
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784541	0	33	-1.0	-44.92	306.11	5.61	-39.31
COC1=C(F)C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784542	0	34	-1.0	-45.58	318.49	4.89	-40.69
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784543	0	38	-1.0	-46.18	343.57	3.34	-42.84
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010784544	0	39	-1.0	-62.66	351.77	5.80	-56.86
COC1=CC=C(CCS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784545	0	38	-1.0	-49.97	327.49	4.81	-45.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010784546	0	46	-1.0	-54.65	387.69	6.59	-48.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010784547	0	43	-1.0	-55.89	370.27	5.46	-50.43
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010784548	0	39	-1.0	-51.90	335.66	5.42	-46.48
CC1=CC=NC2=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CC=C12	REAL300010784549	0	36	-1.0	-53.78	307.07	5.70	-48.08
COC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(OC)C=C1Br	REAL300010784550	0	36	-1.0	-48.94	327.37	3.90	-45.04
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010784551	0	31	-1.0	-49.73	294.04	4.97	-44.76
CC1=CC(Br)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784552	0	31	-1.0	-49.14	297.72	5.34	-43.80
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784553	0	35	-1.0	-53.23	328.08	3.65	-49.58
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784554	0	39	-1.0	-57.24	329.62	4.04	-53.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010784555	0	40	-1.0	-53.93	349.52	3.93	-50.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010784556	0	34	-1.0	-49.85	336.09	2.15	-47.70
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010784557	0	28	-1.0	-48.60	293.12	5.28	-43.32
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010784558	0	36	-1.0	-49.41	324.45	5.35	-44.06
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784559	0	38	-1.0	-46.18	343.57	3.34	-42.84
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010784560	0	31	-1.0	-47.12	299.08	5.30	-41.82
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(OC)=C1	REAL300010784561	0	38	-1.0	-51.57	332.19	4.60	-46.97
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=CS1	REAL300010784562	0	34	-1.0	-54.02	295.24	4.67	-49.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784563	0	39	-1.0	-54.18	342.30	4.19	-49.99
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784564	0	42	-1.0	-52.21	362.10	5.23	-46.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010784565	0	42	-1.0	-52.41	360.81	7.38	-45.03
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784566	0	36	-1.0	-57.89	329.03	6.40	-51.49
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010784567	0	28	-1.0	-46.76	291.42	5.04	-41.72
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010784568	0	40	0.0	-72.72	331.25	5.89	-66.83
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C2O1	REAL300010784569	0	43	-1.0	-49.69	376.59	6.66	-43.03
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784570	0	40	-1.0	-50.44	338.43	6.04	-44.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010784571	0	28	-1.0	-49.57	280.59	4.81	-44.76
CC1=CC=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010784572	0	36	-1.0	-61.35	302.45	6.74	-54.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010784573	0	34	-1.0	-50.98	316.61	5.80	-45.18
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010784574	0	38	-1.0	-43.96	332.20	6.51	-37.45
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784575	0	31	-1.0	-44.16	288.70	5.14	-39.02
CC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784576	0	36	-1.0	-51.80	310.73	6.02	-45.78
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010784577	0	28	-1.0	-46.82	279.44	4.94	-41.88
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010784578	0	30	-1.0	-51.33	302.08	6.63	-44.70
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010784579	0	38	-1.0	-43.96	332.20	6.51	-37.45
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010784580	0	28	-1.0	-47.06	289.01	5.05	-42.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010784581	0	39	-1.0	-47.84	351.52	3.89	-43.95
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010784582	0	28	-1.0	-46.89	272.66	4.35	-42.54
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784583	0	38	-1.0	-51.81	312.55	5.58	-46.23
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784584	0	34	-1.0	-46.26	312.18	4.68	-41.58
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784585	0	32	-1.0	-49.68	294.24	4.45	-45.23
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010784586	0	29	-1.0	-47.28	282.51	2.84	-44.44
CN(CCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010784587	0	41	-1.0	-51.29	343.26	7.39	-43.90
CN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010784588	0	39	-1.0	-48.84	334.62	4.75	-44.09
CN(CCC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010784589	0	45	-1.0	-52.80	344.86	9.76	-43.04
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CC=C12	REAL300010784590	0	42	-1.0	-50.49	343.17	5.92	-44.57
COC(=O)C1=CN=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784591	0	33	-1.0	-52.08	302.87	2.82	-49.26
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010784592	0	29	-1.0	-48.63	293.37	4.88	-43.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010784593	0	30	-1.0	-45.07	301.95	5.39	-39.68
COC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784594	0	35	-1.0	-51.60	307.29	4.39	-47.21
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784595	0	34	-1.0	-45.50	327.25	4.76	-40.74
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784596	0	36	-1.0	-48.83	320.04	3.57	-45.26
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010784597	0	32	-1.0	-50.27	298.35	3.63	-46.64
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010784598	0	31	-1.0	-43.14	297.21	5.04	-38.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784599	0	39	-1.0	-51.85	344.21	1.07	-50.78
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C2S1	REAL300010784600	0	40	-1.0	-51.51	367.51	7.03	-44.48
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010784601	0	34	-1.0	-59.08	314.66	3.99	-55.09
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010784602	0	33	-1.0	-55.08	311.79	-0.33	-55.41
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784603	0	34	-1.0	-53.37	310.00	4.63	-48.74
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784604	0	36	-1.0	-55.98	323.23	5.60	-50.38
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Br)=C1	REAL300010784605	0	32	-1.0	-50.55	290.46	3.60	-46.95
CC1=CC2=C(C=C1S(=O)(=O)N(C)CCC(=O)[O-])OCO2	REAL300010784606	0	34	-1.0	-47.45	287.68	3.14	-44.31
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010784607	0	34	-1.0	-48.58	322.59	5.16	-43.42
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784608	0	34	-1.0	-54.56	301.56	5.14	-49.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010784609	0	28	-1.0	-45.36	278.06	4.86	-40.50
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010784610	0	28	-1.0	-47.64	277.71	4.82	-42.82
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCC(=O)[O-])OCC(=O)N2	REAL300010784611	0	38	-1.0	-51.83	328.16	1.17	-50.66
CN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010784612	0	30	-1.0	-46.49	299.70	5.14	-41.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010784613	0	30	-1.0	-46.14	295.97	5.01	-41.13
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010784614	0	28	-1.0	-44.24	276.91	5.17	-39.07
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010784615	0	29	-1.0	-56.31	275.88	2.52	-53.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010784616	0	31	-1.0	-47.30	300.05	5.32	-41.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010784617	0	28	-1.0	-48.19	276.30	4.52	-43.67
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1OC	REAL300010784618	0	38	-1.0	-48.83	334.95	4.70	-44.13
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010784619	0	28	-1.0	-45.19	280.44	4.97	-40.22
CC(=O)NC1=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784620	0	31	-1.0	-58.39	298.40	1.47	-56.92
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])S1	REAL300010784620	1	30	-2.0	-98.32	295.10	0.34	-97.98
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010784621	0	31	-1.0	-47.71	297.78	5.35	-42.36
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010784622	0	32	-1.0	-56.34	306.27	1.35	-54.99
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784623	0	37	-1.0	-60.71	323.24	6.79	-53.92
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784624	0	36	-1.0	-54.15	315.65	2.20	-51.95
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010784625	0	32	-1.0	-56.08	310.83	1.46	-54.62
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010784626	0	39	-1.0	-52.60	331.60	5.30	-47.30
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010784627	0	32	-1.0	-44.00	309.54	5.16	-38.84
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784628	0	35	-1.0	-50.13	322.68	4.60	-45.53
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010784629	0	31	-1.0	-51.28	315.27	5.56	-45.72
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010784630	0	29	-1.0	-53.22	290.56	4.95	-48.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010784631	0	29	-1.0	-48.72	287.44	4.72	-44.00
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784632	0	34	-1.0	-47.30	300.87	5.55	-41.75
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784633	0	45	-1.0	-51.68	389.64	3.70	-47.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010784634	0	34	-1.0	-56.93	309.44	5.35	-51.58
COCCOCCOCCS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784635	0	42	-1.0	-53.86	363.68	1.36	-52.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784636	0	38	-1.0	-59.09	338.21	1.45	-57.64
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010784637	0	28	-1.0	-46.25	272.27	4.74	-41.51
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2CC1	REAL300010784638	0	45	-1.0	-54.49	364.68	5.90	-48.59
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010784639	0	37	-1.0	-53.74	337.81	5.45	-48.29
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1OC	REAL300010784640	0	38	-1.0	-47.69	345.48	5.66	-42.03
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784641	0	37	-1.0	-51.02	324.64	6.54	-44.48
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784642	0	37	-1.0	-50.75	320.47	6.25	-44.50
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784643	0	38	-1.0	-55.33	334.75	3.09	-52.24
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784644	0	42	-1.0	-55.41	365.33	5.04	-50.37
CN(CCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010784645	0	41	-1.0	-50.26	353.52	5.57	-44.69
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010784646	0	37	-1.0	-48.16	344.40	5.93	-42.23
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010784647	0	30	-1.0	-44.38	294.45	5.63	-38.75
CN(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010784648	0	37	-1.0	-60.24	315.65	1.26	-58.98
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784649	0	36	-1.0	-49.60	313.19	5.21	-44.39
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1OC	REAL300010784650	0	39	-1.0	-51.31	347.11	3.83	-47.48
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010784651	0	40	-1.0	-49.99	347.91	6.09	-43.90
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784652	0	42	-1.0	-63.51	364.42	2.18	-61.33
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784653	0	39	-1.0	-52.56	332.59	3.65	-48.91
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784654	0	41	-1.0	-53.04	354.03	5.51	-47.53
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1C	REAL300010784655	0	40	-1.0	-51.07	345.58	6.09	-44.98
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784656	0	40	-1.0	-52.08	351.69	6.34	-45.74
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784657	0	34	-1.0	-50.96	319.44	6.04	-44.92
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010784658	0	31	-1.0	-50.23	300.01	6.09	-44.14
CC(COC1CCCC1)CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784659	0	44	-1.0	-47.58	353.54	5.38	-42.20
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010784660	0	34	-1.0	-49.57	314.72	6.02	-43.55
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784661	0	37	-1.0	-52.53	331.89	5.54	-46.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010784662	0	38	-1.0	-48.49	327.08	7.40	-41.09
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784663	0	42	-1.0	-52.78	374.76	1.81	-50.97
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010784664	0	31	-1.0	-51.09	293.27	5.30	-45.79
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN1C	REAL300010784665	0	40	-1.0	-47.07	355.47	5.18	-41.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010784666	0	34	-1.0	-49.71	323.40	1.91	-47.80
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010784667	0	32	-1.0	-52.36	302.50	4.91	-47.45
CC1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C(Br)N1C	REAL300010784668	0	31	-1.0	-50.34	291.46	3.35	-46.99
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784669	0	41	-1.0	-64.28	345.02	4.82	-59.46
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010784670	0	31	-2.0	-102.31	294.52	3.71	-98.60
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010784670	1	32	-1.0	-48.71	296.10	2.99	-45.72
CN(CCC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010784671	0	45	-1.0	-55.17	397.64	4.42	-50.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010784672	0	29	-1.0	-47.17	295.74	4.86	-42.31
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784673	0	39	-1.0	-53.67	347.36	3.48	-50.19
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010784674	0	43	-1.0	-46.52	365.81	6.81	-39.71
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784675	0	40	-1.0	-54.80	359.28	3.24	-51.56
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784676	0	39	-1.0	-48.11	375.99	4.79	-43.32
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010784677	0	33	-1.0	-52.88	299.26	1.18	-51.70
COC(=O)C1(CS(=O)(=O)N(C)CCC(=O)[O-])CCCC1	REAL300010784678	0	40	-1.0	-55.58	328.96	5.17	-50.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010784679	0	27	-1.0	-43.85	284.27	3.17	-40.68
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784680	0	35	-1.0	-49.89	327.42	4.25	-45.64
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784681	0	37	-1.0	-54.11	343.07	6.49	-47.62
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010784682	0	34	-1.0	-45.57	307.31	5.49	-40.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010784683	0	39	-1.0	-48.18	361.02	7.38	-40.80
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784684	0	37	-1.0	-52.20	329.83	5.42	-46.78
CN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010784685	0	30	-1.0	-56.31	281.90	3.83	-52.48
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010784686	0	34	-1.0	-47.23	314.17	5.96	-41.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010784687	0	28	-1.0	-47.88	287.58	4.25	-43.63
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010784688	0	32	-1.0	-57.02	301.19	5.03	-51.99
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1I	REAL300010784689	0	31	-1.0	-45.11	298.23	5.62	-39.49
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784690	0	41	-1.0	-56.28	365.47	4.39	-51.89
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784691	0	44	-1.0	-56.04	387.33	5.31	-50.73
COC(=O)C1(CS(=O)(=O)N(C)CCC(=O)[O-])CCCCC1	REAL300010784692	0	43	-1.0	-54.25	340.69	5.58	-48.67
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN=C1C	REAL300010784693	0	36	-1.0	-47.56	321.27	3.40	-44.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010784694	0	32	-1.0	-47.18	301.50	3.72	-43.46
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784695	0	37	-1.0	-47.66	348.39	6.15	-41.51
CN(CCC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010784696	0	44	-1.0	-56.00	385.84	5.88	-50.12
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010784697	0	30	-1.0	-44.90	297.06	3.59	-41.31
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010784698	0	37	-1.0	-46.81	317.67	5.59	-41.22
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010784699	0	29	-1.0	-54.98	285.33	3.45	-51.53
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010784700	0	34	-1.0	-52.59	310.44	5.68	-46.91
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010784701	0	31	-1.0	-55.81	296.95	2.82	-52.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010784702	0	30	-1.0	-51.44	297.66	6.54	-44.90
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010784703	0	37	-1.0	-50.26	326.05	5.16	-45.10
CC1=CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C2N=C1Cl	REAL300010784704	0	36	-1.0	-51.37	329.32	5.36	-46.01
CN(CCC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010784705	0	38	-1.0	-49.01	332.02	4.79	-44.22
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C(C)C)=C1	REAL300010784706	0	55	-1.0	-46.78	410.17	9.83	-36.95
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010784707	0	33	-1.0	-50.67	303.70	5.58	-45.09
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784708	0	40	-1.0	-52.66	354.94	6.40	-46.26
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784709	0	33	-1.0	-56.53	296.32	3.89	-52.64
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784710	0	35	-1.0	-47.95	323.23	4.36	-43.59
COC1=CC=C2C=C(S(=O)(=O)N(C)CCC(=O)[O-])CCC2=C1	REAL300010784711	0	40	-1.0	-49.94	332.73	5.56	-44.38
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010784712	0	31	-1.0	-50.45	291.18	4.52	-45.93
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010784713	0	31	-1.0	-49.07	302.07	5.97	-43.10
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784714	0	42	-1.0	-60.02	371.78	2.36	-57.66
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784714	1	41	-2.0	-94.36	368.54	2.46	-91.90
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010784715	0	31	-1.0	-47.05	303.50	5.40	-41.65
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010784716	0	37	-1.0	-57.71	337.19	2.25	-55.46
CC1=CC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2C=C1	REAL300010784717	0	37	-1.0	-49.72	320.12	6.90	-42.82
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784718	0	37	-1.0	-47.45	330.22	5.54	-41.91
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010784719	0	43	-1.0	-58.93	377.23	4.57	-54.36
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784720	0	41	-1.0	-57.18	352.07	4.38	-52.80
CN(CCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010784721	0	31	-1.0	-52.23	297.05	5.29	-46.94
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010784722	0	34	-1.0	-55.08	300.11	6.19	-48.89
CCC1=CC(CC)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(CC)=C1	REAL300010784723	0	46	-1.0	-45.95	356.07	8.38	-37.57
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C12	REAL300010784724	0	47	-1.0	-49.38	396.53	4.84	-44.54
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010784725	0	35	-1.0	-57.44	311.01	3.82	-53.62
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010784726	0	30	-1.0	-52.56	301.06	3.90	-48.66
COC1=CC(OC)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784727	0	36	-1.0	-51.54	322.88	3.82	-47.72
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010784728	0	36	-1.0	-51.36	326.17	2.63	-48.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010784729	0	33	-1.0	-59.23	307.12	-1.06	-60.29
CN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010784730	0	39	-1.0	-63.67	325.98	1.12	-62.55
COC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C1Cl	REAL300010784731	0	32	-1.0	-46.00	298.41	3.84	-42.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010784732	0	31	-1.0	-50.40	286.97	1.47	-48.93
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784733	0	41	-1.0	-56.43	352.78	5.27	-51.16
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010784734	0	37	-1.0	-51.80	322.06	6.90	-44.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010784735	0	32	-1.0	-45.94	293.66	4.27	-41.67
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010784736	0	32	-1.0	-45.94	303.99	4.72	-41.22
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784737	0	37	-1.0	-55.02	335.29	5.47	-49.55
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784738	0	41	-1.0	-51.15	343.64	5.94	-45.21
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010784739	0	31	-1.0	-45.70	311.27	5.79	-39.91
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010784740	0	31	-1.0	-47.24	309.92	5.81	-41.43
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010784741	0	31	-1.0	-49.10	292.50	3.08	-46.02
CCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010784742	0	36	-1.0	-56.92	315.33	5.82	-51.10
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784743	0	44	-1.0	-51.65	353.66	6.25	-45.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010784744	0	35	-1.0	-52.35	330.45	6.44	-45.91
COC1=NC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784745	0	31	-1.0	-46.26	298.27	1.29	-44.97
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(F)=C1	REAL300010784746	0	37	-1.0	-52.92	331.86	5.55	-47.37
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784747	0	37	-1.0	-50.62	348.50	5.71	-44.91
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)=N1	REAL300010784748	0	37	-1.0	-48.01	339.09	5.45	-42.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1F	REAL300010784749	0	34	-1.0	-55.52	324.93	5.08	-50.44
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784750	0	37	-1.0	-52.90	330.32	5.24	-47.66
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784751	0	34	-1.0	-49.11	308.92	5.91	-43.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010784752	0	43	-1.0	-47.25	369.65	1.86	-45.39
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010784753	0	35	-1.0	-56.93	320.13	1.92	-55.01
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])SC(Br)=C1	REAL300010784754	0	28	-1.0	-42.69	277.75	4.35	-38.34
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010784755	0	37	-1.0	-54.10	304.18	4.08	-50.02
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784756	0	38	-1.0	-51.92	329.21	2.98	-48.94
CN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010784757	0	34	-1.0	-47.37	310.67	5.89	-41.48
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784758	0	32	-1.0	-46.63	304.51	4.60	-42.03
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCC(=O)[O-])C(=O)NCCC2	REAL300010784759	0	43	-1.0	-57.19	353.59	3.01	-54.18
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CCC(=O)[O-])S2)C1	REAL300010784760	0	39	-1.0	-55.29	344.83	4.50	-50.79
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010784761	0	35	-1.0	-50.48	322.72	6.42	-44.06
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010784762	0	31	-1.0	-47.78	299.58	5.36	-42.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010784763	0	32	-1.0	-50.80	306.01	1.37	-49.43
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010784764	0	31	-1.0	-48.00	296.36	5.25	-42.75
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010784765	0	28	-1.0	-45.89	293.65	5.15	-40.74
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784766	0	35	-1.0	-61.32	310.93	1.50	-59.82
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784767	0	53	-1.0	-49.24	435.95	8.95	-40.29
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784768	0	43	-1.0	-53.18	362.74	6.33	-46.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010784769	0	28	-1.0	-44.34	295.64	5.43	-38.91
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784770	0	38	-1.0	-50.38	340.85	6.24	-44.14
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010784771	0	28	-1.0	-47.76	279.89	4.65	-43.11
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784772	0	34	-1.0	-46.26	312.18	4.68	-41.58
COC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010784773	0	42	-1.0	-48.16	361.04	7.05	-41.11
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010784774	0	42	-1.0	-53.16	370.34	7.33	-45.83
CN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010784775	0	27	-1.0	-53.20	267.53	2.88	-50.32
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C2)=N1	REAL300010784776	0	40	-1.0	-50.58	339.82	3.57	-47.01
COC(CS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010784777	0	38	-1.0	-49.88	336.33	5.19	-44.69
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010784778	0	40	-1.0	-50.54	336.82	5.42	-45.12
COC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])N(C)N=C1	REAL300010784779	0	34	-1.0	-54.55	297.09	2.82	-51.73
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Cl	REAL300010784780	0	36	-1.0	-48.32	334.77	2.87	-45.45
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CCC(=O)[O-])C=CC=C12	REAL300010784781	0	40	-1.0	-52.25	340.17	6.59	-45.66
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784782	0	39	-1.0	-48.70	338.59	3.17	-45.53
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1F	REAL300010784783	0	34	-1.0	-55.45	314.60	4.64	-50.81
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(Cl)C=C21	REAL300010784784	0	39	-1.0	-61.35	337.79	5.31	-56.04
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784785	0	41	-1.0	-52.84	342.91	5.64	-47.20
COC(CS(=O)(=O)N(C)CCC(=O)[O-])C1CCCCC1	REAL300010784786	0	44	-1.0	-49.77	346.19	5.10	-44.67
CCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)C	REAL300010784787	0	47	-1.0	-46.76	384.33	7.03	-39.73
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010784788	0	31	-1.0	-60.03	304.48	3.87	-56.16
CC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010784789	0	36	-1.0	-51.63	310.11	6.05	-45.58
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010784790	0	41	-1.0	-46.58	350.59	6.20	-40.38
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)CCC(=O)[O-])O1	REAL300010784791	0	34	-1.0	-51.37	312.45	3.44	-47.93
CCC1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=CN1CC1CC1	REAL300010784792	0	41	-1.0	-52.76	349.13	5.85	-46.91
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784793	0	34	-1.0	-56.17	322.14	6.36	-49.81
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2C1	REAL300010784794	0	39	-1.0	-54.04	340.02	4.63	-49.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010784795	0	31	-1.0	-46.33	298.08	2.65	-43.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010784796	0	39	-1.0	-52.56	355.65	8.16	-44.40
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784797	0	31	-1.0	-44.20	288.71	5.14	-39.06
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010784798	0	38	-1.0	-53.46	314.58	7.19	-46.27
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010784799	0	48	-1.0	-49.83	408.07	8.85	-40.98
CC1=CC=C(Br)C(CS(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784800	0	34	-1.0	-48.05	314.62	5.96	-42.09
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784801	0	35	-1.0	-52.36	321.37	4.67	-47.69
CN(CCC(=O)[O-])S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010784802	0	34	-1.0	-52.51	310.40	5.64	-46.87
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010784803	0	27	-1.0	-45.68	274.43	2.64	-43.04
CC(C)OC1=CN=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784804	0	37	-1.0	-45.01	317.45	3.03	-41.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010784805	0	34	-1.0	-51.53	308.78	2.50	-49.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010784806	0	35	-1.0	-48.02	328.41	3.28	-44.74
CCC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(C)C=C1OC	REAL300010784807	0	41	-1.0	-48.12	332.88	5.26	-42.86
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010784808	0	34	-1.0	-46.83	326.83	5.90	-40.93
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784809	0	36	-1.0	-52.50	324.79	5.04	-47.46
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784810	0	31	-1.0	-44.24	297.84	5.56	-38.68
CC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010784811	0	37	-1.0	-48.57	299.59	6.91	-41.66
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010784812	0	35	-1.0	-47.11	313.64	3.83	-43.28
CC1=CC2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C2NC1=O	REAL300010784813	0	37	-1.0	-49.51	323.91	3.71	-45.80
CC1=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010784814	0	37	-1.0	-53.23	335.71	5.62	-47.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010784815	0	28	-1.0	-54.80	261.76	1.18	-53.62
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010784816	0	33	-1.0	-49.49	299.51	5.15	-44.34
CN(CCC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010784817	0	34	-1.0	-51.72	312.74	5.43	-46.29
CN(CCC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010784818	0	45	0.0	-74.36	356.30	3.30	-71.06
CN(CCC(=O)[O-])S(=O)(=O)CCCN1CCN(C)CC1	REAL300010784818	1	44	-1.0	-50.84	352.24	0.80	-50.04
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010784819	0	28	-1.0	-47.40	271.15	1.95	-45.45
CN(CCC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010784820	0	37	-1.0	-50.34	351.45	6.43	-43.91
CN(CCC(=O)[O-])S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010784821	0	28	-1.0	-46.72	276.63	2.41	-44.31
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784822	0	32	-1.0	-53.85	283.38	4.90	-48.95
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=N1	REAL300010784823	0	37	-1.0	-47.39	324.19	2.61	-44.78
CCCCN1C=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=N1	REAL300010784824	0	40	-1.0	-50.88	336.55	4.63	-46.25
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C(OC)C=C1F	REAL300010784825	0	38	-1.0	-49.50	336.70	4.63	-44.87
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784826	0	38	-1.0	-59.67	330.25	5.03	-54.64
CCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)C	REAL300010784827	0	44	-1.0	-47.03	362.84	6.23	-40.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010784828	0	40	-1.0	-44.72	331.11	6.24	-38.48
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010784829	0	31	-1.0	-45.91	296.37	5.25	-40.66
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010784830	0	47	-1.0	-50.95	380.13	8.62	-42.33
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784831	0	33	-1.0	-54.28	314.86	4.08	-50.20
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)NC=N1	REAL300010784832	0	25	-1.0	-53.79	255.47	2.01	-51.78
CN(CCC(=O)[O-])S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010784833	0	36	-1.0	-50.00	321.35	4.86	-45.14
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010784834	0	27	-1.0	-48.05	272.45	2.98	-45.07
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784835	0	31	-1.0	-46.49	296.53	1.93	-44.56
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010784836	0	33	-1.0	-53.81	308.31	4.82	-48.99
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010784837	0	30	-1.0	-47.97	294.77	3.94	-44.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010784838	0	38	-1.0	-54.00	341.43	4.86	-49.14
CN(CCC(=O)[O-])S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010784839	0	31	-1.0	-47.52	294.46	4.85	-42.67
CN(CCC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010784840	0	27	-1.0	-49.54	280.99	2.38	-47.16
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010784841	0	30	-1.0	-47.79	308.52	4.16	-43.63
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010784842	0	30	-1.0	-55.95	291.41	5.38	-50.57
CN(CCC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010784843	0	39	-1.0	-52.87	338.34	0.59	-52.28
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010784844	0	29	-1.0	-46.45	300.18	3.16	-43.29
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784845	0	37	-1.0	-52.86	333.08	5.47	-47.39
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010784846	0	31	-1.0	-51.62	302.60	5.21	-46.41
CN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010784847	0	31	-1.0	-49.29	279.82	2.36	-46.93
CN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010784848	0	38	-1.0	-48.26	309.15	3.91	-44.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010784849	0	25	-1.0	-50.14	256.04	3.37	-46.77
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010784850	0	40	-1.0	-51.66	326.82	4.42	-47.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010784851	0	38	-1.0	-48.15	322.44	4.41	-43.74
CN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010784852	0	31	-1.0	-49.62	278.75	2.59	-47.03
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784853	0	46	-1.0	-53.67	390.13	5.83	-47.84
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010784854	0	28	-1.0	-53.33	273.05	2.03	-51.30
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010784855	0	30	-1.0	-51.30	289.75	3.13	-48.17
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784856	0	35	-1.0	-51.21	311.06	4.16	-47.05
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010784857	0	42	-1.0	-54.69	358.80	5.20	-49.49
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784858	0	31	-1.0	-44.18	297.83	5.56	-38.62
CC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784859	0	33	-1.0	-58.00	297.88	4.46	-53.54
CN(CCC(=O)[O-])S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010784860	0	37	-1.0	-66.26	318.65	2.08	-64.18
CCCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)C	REAL300010784861	0	50	-1.0	-48.64	405.83	7.81	-40.83
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010784862	0	31	-1.0	-45.54	289.55	4.88	-40.66
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010784863	0	39	-1.0	-53.72	335.90	4.45	-49.27
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010784864	0	32	-1.0	-47.38	303.75	5.77	-41.61
CCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)(C)C	REAL300010784865	0	50	-1.0	-46.84	396.89	7.70	-39.14
CCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1CC	REAL300010784866	0	44	-1.0	-48.58	367.42	6.50	-42.08
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784867	0	34	-1.0	-44.44	289.80	5.78	-38.66
COCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784868	0	39	-1.0	-52.89	358.26	4.14	-48.75
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784869	0	42	-1.0	-57.27	349.21	3.81	-53.46
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010784870	0	31	-1.0	-47.19	308.02	5.74	-41.45
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010784871	0	31	-1.0	-47.62	298.90	5.34	-42.28
CN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010784872	0	38	-1.0	-56.93	336.62	6.01	-50.92
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784873	0	34	-1.0	-46.98	313.57	5.93	-41.05
COC1=CC=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1F	REAL300010784874	0	32	-1.0	-49.06	297.63	4.09	-44.97
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784875	0	38	-1.0	-50.95	329.08	6.41	-44.54
CCOC(=O)C1=C(S(=O)(=O)N(C)CCC(=O)[O-])N(C)N=C1	REAL300010784876	0	37	-1.0	-54.71	318.95	3.75	-50.96
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010784877	0	32	-1.0	-49.86	301.26	5.68	-44.18
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010784878	0	40	-1.0	-49.52	358.56	5.62	-43.90
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784879	0	41	-1.0	-52.35	358.09	4.99	-47.36
CN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010784880	0	37	-1.0	-49.93	314.86	4.73	-45.20
COC(=O)C1=CC=NC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784881	0	33	-1.0	-55.71	306.62	2.80	-52.91
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784882	0	44	-1.0	-49.11	369.15	6.84	-42.27
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=C21	REAL300010784883	0	48	-1.0	-60.77	379.41	6.42	-54.35
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784884	0	35	-1.0	-55.55	316.40	4.31	-51.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010784885	0	42	-1.0	-49.38	348.42	4.06	-45.32
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010784886	0	43	-1.0	-56.55	363.60	6.64	-49.91
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C21	REAL300010784887	0	42	-1.0	-68.60	353.73	5.93	-62.67
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2)C=C1	REAL300010784888	0	43	-1.0	-49.14	384.48	7.89	-41.25
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010784889	0	38	-1.0	-49.34	325.82	4.62	-44.72
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010784890	0	40	-1.0	-50.30	338.30	6.51	-43.79
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784891	0	41	-1.0	-53.96	352.56	5.46	-48.50
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784892	0	38	-1.0	-59.63	328.97	5.04	-54.59
CN(CCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010784893	0	39	-1.0	-52.51	327.77	2.13	-50.38
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010784894	0	34	-1.0	-49.39	320.29	4.87	-44.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010784895	0	34	-1.0	-47.97	303.58	1.22	-46.75
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300010784896	0	25	-1.0	-49.54	256.77	2.75	-46.79
COC1=C(F)C=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784897	0	32	-1.0	-46.38	300.90	3.61	-42.77
COC1=CC(F)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300010784898	0	32	-1.0	-49.36	290.98	3.34	-46.02
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)C	REAL300010784899	0	53	-1.0	-46.70	427.33	8.59	-38.11
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C	REAL300010784900	0	44	-1.0	-50.80	349.50	5.68	-45.12
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784901	0	38	-1.0	-50.97	323.71	5.54	-45.43
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1C(C)C	REAL300010784902	0	51	-1.0	-49.25	418.32	6.45	-42.80
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010784903	0	36	-1.0	-48.07	323.68	3.72	-44.35
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010784904	0	36	-1.0	-55.69	323.86	6.23	-49.46
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784905	0	32	-1.0	-48.38	287.52	4.61	-43.77
CC1=C(Br)C(S(=O)(=O)N(C)CCC(=O)[O-])=C(C)S1	REAL300010784906	0	31	-1.0	-43.75	290.16	5.13	-38.62
CC1=CC(Cl)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(Br)=C1	REAL300010784907	0	31	-1.0	-50.18	300.20	6.06	-44.12
COC(=O)C1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC=N1	REAL300010784908	0	33	-1.0	-55.41	303.89	2.82	-52.59
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1Br	REAL300010784909	0	34	-1.0	-49.97	314.36	5.00	-44.97
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C21	REAL300010784910	0	45	-1.0	-59.15	365.02	6.17	-52.98
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010784911	0	34	-1.0	-51.33	303.18	4.53	-46.80
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C21	REAL300010784912	0	42	-1.0	-48.78	350.04	5.46	-43.32
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010784913	0	28	-1.0	-46.42	278.43	2.15	-44.27
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010784914	0	30	-1.0	-46.25	286.82	3.14	-43.11
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010784915	0	32	-1.0	-47.75	304.76	4.45	-43.30
CN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010784916	0	31	-1.0	-60.60	299.92	3.76	-56.84
CC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C(C)=C1F	REAL300010784917	0	37	-1.0	-44.14	298.54	5.95	-38.19
COC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1OC	REAL300010784918	0	36	-1.0	-48.80	304.25	3.92	-44.88
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010784919	0	37	-1.0	-51.95	321.18	1.21	-50.74
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010784920	0	29	-1.0	-43.78	293.39	4.88	-38.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010784921	0	44	-1.0	-53.84	399.97	4.99	-48.85
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010784921	1	43	-2.0	-88.03	397.00	3.40	-84.63
COC1=CC=C(F)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1OC	REAL300010784922	0	36	-1.0	-51.58	310.52	4.27	-47.31
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784923	0	31	-1.0	-49.12	313.65	3.44	-45.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010784924	0	25	-1.0	-47.77	275.17	4.25	-43.52
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010784925	0	41	-1.0	-48.30	337.00	4.79	-43.51
CN(CCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010784926	0	32	-1.0	-55.95	304.49	5.91	-50.04
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010784927	0	30	-2.0	-95.94	283.70	4.52	-91.42
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010784928	0	32	-1.0	-48.56	292.13	3.56	-45.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010784929	0	32	-1.0	-57.67	304.96	4.47	-53.20
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010784930	0	31	-1.0	-51.72	281.50	3.15	-48.57
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010784931	0	28	-2.0	-101.49	288.21	3.75	-97.74
CC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1Br	REAL300010784932	0	34	-1.0	-48.59	301.09	5.70	-42.89
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010784933	0	34	-1.0	-48.97	323.83	5.16	-43.81
CN(CCC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010784934	0	31	-1.0	-50.02	284.36	4.26	-45.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010784935	0	38	-1.0	-50.05	322.02	4.27	-45.78
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784936	0	46	-1.0	-50.73	360.11	7.53	-43.20
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010784937	0	34	-1.0	-50.37	324.09	5.86	-44.51
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010784938	0	38	-1.0	-48.67	329.01	4.71	-43.96
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010784939	0	39	-1.0	-51.92	347.28	6.95	-44.97
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010784940	0	41	-1.0	-56.95	342.68	2.39	-54.56
COC1=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010784941	0	37	-1.0	-57.34	316.31	5.24	-52.10
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784942	0	34	-1.0	-49.38	312.72	2.36	-47.02
CN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010784943	0	32	-1.0	-46.42	311.47	5.40	-41.02
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C2C=C1	REAL300010784944	0	40	-1.0	-48.91	353.51	6.88	-42.03
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010784945	0	37	-1.0	-53.95	341.90	6.57	-47.38
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010784946	0	33	-1.0	-45.48	305.93	3.88	-41.60
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010784947	0	31	-1.0	-45.59	300.15	5.13	-40.46
CN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010784948	0	28	-1.0	-48.36	278.00	4.38	-43.98
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010784949	0	28	-1.0	-48.35	284.88	4.10	-44.25
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784950	0	38	-1.0	-53.28	337.52	3.04	-50.24
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010784951	0	25	-1.0	-50.01	260.00	2.76	-47.25
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010784952	0	31	-1.0	-43.07	304.79	5.40	-37.67
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784953	0	39	-1.0	-61.02	337.45	6.01	-55.01
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010784954	0	39	-1.0	-50.72	323.56	7.15	-43.57
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010784955	0	38	-1.0	-51.36	335.25	5.75	-45.61
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010784956	0	34	-1.0	-48.73	318.03	5.05	-43.68
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010784957	0	33	-1.0	-47.09	308.00	4.62	-42.47
CN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010784958	0	35	-1.0	-54.43	305.78	2.37	-52.06
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784959	0	38	-1.0	-48.29	351.82	4.79	-43.50
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010784960	0	28	-1.0	-48.44	281.53	4.95	-43.49
CN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010784961	0	28	-1.0	-50.42	276.68	4.25	-46.17
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010784962	0	31	-1.0	-50.41	289.28	5.64	-44.77
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784963	0	34	-1.0	-48.02	321.80	4.37	-43.65
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010784964	0	35	-1.0	-52.48	304.53	6.07	-46.41
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010784965	0	30	-1.0	-46.69	309.40	4.29	-42.40
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010784966	0	38	-1.0	-47.62	319.83	4.67	-42.95
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784967	0	37	-1.0	-58.54	326.83	1.54	-57.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010784968	0	31	-1.0	-55.41	308.95	0.56	-54.85
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300010784969	0	37	-1.0	-58.54	326.83	1.54	-57.00
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010784970	0	31	-1.0	-53.49	283.29	5.58	-47.91
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784971	0	40	-1.0	-61.53	347.36	8.25	-53.28
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010784972	0	28	-1.0	-50.25	278.86	3.29	-46.96
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784973	0	32	-1.0	-46.82	290.21	4.06	-42.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010784974	0	42	-1.0	-50.29	347.56	2.99	-47.30
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010784975	0	34	-1.0	-52.28	306.09	5.50	-46.78
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010784976	0	32	-1.0	-50.64	292.14	3.56	-47.08
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010784977	0	35	-1.0	-46.76	342.19	3.91	-42.85
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010784978	0	43	-1.0	-46.82	347.27	6.58	-40.24
CC1=CC(C)=C(S(=O)(=O)N(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010784979	0	39	-1.0	-60.52	321.68	6.16	-54.36
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010784980	0	36	-1.0	-46.81	309.27	4.10	-42.71
CCOCC1=CC=CC(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784981	0	38	-1.0	-50.15	329.80	4.67	-45.48
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300010784982	0	37	-1.0	-54.51	337.95	6.25	-48.26
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010784983	0	31	-1.0	-49.96	314.30	6.06	-43.90
CN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010784984	0	38	-1.0	-49.34	336.04	5.22	-44.12
CN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010784985	0	41	-1.0	-50.82	341.40	5.00	-45.82
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010784986	0	31	-1.0	-48.92	304.57	6.08	-42.84
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010784987	0	39	-1.0	-47.99	341.56	6.83	-41.16
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CCC(=O)[O-]	REAL300010784988	0	40	-1.0	-58.15	343.67	6.81	-51.34
CC1=CC(S(=O)(=O)N(C)CCC(=O)[O-])=CC(C)=C1Br	REAL300010784989	0	34	-1.0	-47.32	312.72	5.81	-41.51
CN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010784990	0	33	-1.0	-49.69	314.54	5.50	-44.19
CN(CCC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010784991	0	34	-1.0	-47.36	326.64	5.24	-42.12
CN(CCC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010784992	0	40	-1.0	-51.41	338.62	1.82	-49.59
CN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010784993	0	32	-1.0	-49.82	305.27	5.76	-44.06
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)CCC(=O)[O-])=C2	REAL300010784994	0	34	-1.0	-49.10	340.11	5.28	-43.82
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010784995	0	28	-1.0	-46.50	281.40	4.85	-41.65
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010784996	0	30	-1.0	-52.55	290.91	3.18	-49.37
CN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010784997	0	33	-1.0	-55.95	308.62	5.13	-50.82
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010784998	0	33	-1.0	-52.49	301.54	4.73	-47.76
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010784999	0	30	-1.0	-52.55	290.91	3.18	-49.37
CN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010785000	0	31	-1.0	-49.96	314.30	6.06	-43.90
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1F	REAL300010785698	0	41	-1.0	-52.08	331.41	4.60	-47.48
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010785699	0	41	-1.0	-58.67	355.32	4.72	-53.95
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785700	0	46	-1.0	-45.24	354.77	6.20	-39.04
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785701	0	49	-1.0	-54.81	386.95	5.45	-49.36
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785702	0	42	-1.0	-52.32	361.48	6.31	-46.01
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785703	0	41	-1.0	-58.54	346.71	3.01	-55.53
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785704	0	42	-1.0	-50.03	341.22	6.47	-43.56
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010785705	0	39	-1.0	-46.57	348.34	5.19	-41.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010785706	0	34	-1.0	-50.56	318.64	5.28	-45.28
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785707	0	36	-1.0	-60.72	308.40	5.74	-54.98
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010785708	0	31	-1.0	-52.77	298.07	3.07	-49.70
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010785708	1	30	-2.0	-125.84	291.83	3.34	-122.50
CC(C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010785709	0	44	-1.0	-60.91	345.26	5.07	-55.84
CC(C)C[C@@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010785710	0	46	-1.0	-56.08	340.08	5.68	-50.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785711	0	36	-1.0	-51.26	318.87	4.79	-46.47
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785712	0	38	-1.0	-52.78	342.00	4.08	-48.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010785713	0	44	-1.0	-54.11	374.22	5.13	-48.98
CC(C)C[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010785714	0	47	-1.0	-65.22	402.59	5.27	-59.95
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C12	REAL300010785715	0	41	-1.0	-47.97	352.13	1.89	-46.08
CCC1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785716	0	36	-1.0	-51.41	321.26	2.80	-48.61
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010785717	0	46	-1.0	-55.56	375.47	5.62	-49.94
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010785718	0	34	-1.0	-57.88	303.24	4.81	-53.07
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010785718	1	33	-2.0	-136.94	301.60	5.46	-131.48
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Cl)=N1	REAL300010785719	0	36	-1.0	-46.20	324.78	3.69	-42.51
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785720	0	39	-1.0	-55.67	337.85	4.86	-50.81
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010785721	0	41	-1.0	-46.06	357.55	5.54	-40.52
CSC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785722	0	38	-1.0	-54.65	346.30	5.62	-49.03
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785723	0	36	-1.0	-49.21	329.29	4.53	-44.68
CC(C)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010785724	0	44	-1.0	-65.64	373.40	0.78	-64.86
COC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN=C1Cl	REAL300010785725	0	37	-1.0	-47.14	331.76	2.15	-44.99
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785726	0	39	-1.0	-53.69	333.26	4.62	-49.07
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C21	REAL300010785727	0	43	-1.0	-52.51	367.00	5.11	-47.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010785728	0	49	-1.0	-57.79	404.32	4.56	-53.23
CC(C)C[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785729	0	33	-1.0	-55.48	312.15	3.90	-51.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785730	0	52	0.0	-85.95	405.06	5.21	-80.74
CCC1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785731	0	43	-1.0	-56.94	357.25	6.36	-50.58
CC1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785732	0	40	-1.0	-56.18	341.47	5.60	-50.58
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785733	0	37	-1.0	-52.42	318.19	5.89	-46.53
CC(C)C[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010785734	0	38	-1.0	-58.97	326.19	4.12	-54.85
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010785735	0	34	-1.0	-50.32	320.85	5.01	-45.31
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785736	0	42	-1.0	-63.24	342.88	4.69	-58.55
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010785737	0	43	-1.0	-52.48	353.65	5.57	-46.91
CC1=CC=CC(F)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785738	0	37	-1.0	-61.10	312.57	5.24	-55.86
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785739	0	48	-1.0	-44.92	409.67	5.92	-39.00
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010785740	0	38	-1.0	-56.82	319.48	3.51	-53.31
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010785741	0	35	-1.0	-55.65	322.28	5.00	-50.65
CC1=NC(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CS1	REAL300010785742	0	36	-1.0	-60.93	320.84	2.55	-58.38
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010785743	0	37	-1.0	-58.35	335.67	3.19	-55.16
COC(=O)CCCCCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785744	0	45	-1.0	-62.12	374.06	5.03	-57.09
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010785745	0	39	-1.0	-51.08	335.47	3.29	-47.79
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785746	0	42	-1.0	-55.44	358.03	2.39	-53.05
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785748	0	37	-1.0	-49.46	346.65	5.71	-43.75
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785749	0	45	-1.0	-60.40	337.89	1.99	-58.41
COC1=C(F)C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785750	0	40	-1.0	-46.97	354.06	4.95	-42.02
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785751	0	44	-1.0	-50.57	382.46	3.56	-47.01
COC1=CC=C(CCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785752	0	44	-1.0	-56.26	365.36	5.00	-51.26
CC(C)C[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010785753	0	37	-1.0	-55.99	331.03	2.96	-53.03
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010785754	0	45	-1.0	-57.52	372.00	5.51	-52.01
CC1=CC=NC2=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=CC=C12	REAL300010785755	0	42	-1.0	-67.04	340.94	5.71	-61.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010785756	0	37	-1.0	-53.42	323.29	5.04	-48.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010785757	0	37	-1.0	-41.90	339.31	5.44	-36.46
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785758	0	37	-1.0	-51.02	333.57	5.46	-45.56
CSC1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785759	0	38	-1.0	-58.45	324.66	5.07	-53.38
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010785760	0	45	-1.0	-74.33	362.58	3.86	-70.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010785761	0	46	-1.0	-56.96	381.15	4.40	-52.56
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010785762	0	42	-1.0	-50.79	359.87	5.34	-45.45
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785763	0	44	-1.0	-50.57	382.46	3.56	-47.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010785764	0	42	-1.0	-55.22	343.61	4.57	-50.65
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010785765	0	37	-1.0	-57.47	336.84	5.44	-52.03
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(OC)=C1	REAL300010785766	0	44	-1.0	-46.73	377.86	4.85	-41.88
COC(=O)C1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=CS1	REAL300010785767	0	40	-1.0	-58.47	348.57	5.50	-52.97
COC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1F	REAL300010785768	0	38	-1.0	-51.08	326.57	3.55	-47.53
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785769	0	45	-1.0	-48.24	383.10	4.49	-43.75
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785770	0	48	-1.0	-48.14	412.16	5.62	-42.52
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010785771	0	43	-1.0	-42.92	341.95	6.27	-36.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010785772	0	48	-1.0	-44.75	405.82	8.13	-36.62
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785773	0	42	-1.0	-44.27	365.51	6.48	-37.79
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010785774	0	46	0.0	-85.93	368.90	6.04	-79.89
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010785775	0	42	-1.0	-55.73	341.95	4.56	-51.17
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C2O1	REAL300010785776	0	49	-1.0	-53.22	414.76	6.83	-46.39
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010785777	0	37	-1.0	-55.71	326.34	4.76	-50.95
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785778	0	46	-1.0	-44.87	381.10	6.58	-38.29
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010785779	0	34	-1.0	-40.09	322.38	5.78	-34.31
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010785779	1	33	-2.0	-123.56	322.66	5.74	-117.82
CC1=C(Cl)SC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785780	0	34	-1.0	-51.69	319.60	4.36	-47.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010785781	0	40	-1.0	-53.50	338.57	4.75	-48.75
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785782	0	38	-1.0	-46.49	329.87	3.72	-42.77
CC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010785783	0	42	-1.0	-58.89	346.64	7.15	-51.74
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010785784	0	40	-1.0	-56.21	351.64	5.91	-50.30
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010785785	0	44	-1.0	-39.42	380.27	7.35	-32.07
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785786	0	37	-1.0	-46.68	328.43	5.43	-41.25
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010785787	0	39	-1.0	-55.74	332.33	4.44	-51.30
CC1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785788	0	40	-1.0	-60.58	340.73	5.60	-54.98
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785789	0	42	-1.0	-42.35	350.96	6.22	-36.13
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010785790	0	34	-1.0	-42.45	325.57	5.55	-36.90
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010785791	0	44	-1.0	-39.42	380.27	7.35	-32.07
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010785792	0	33	-1.0	-46.89	308.89	2.84	-44.05
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010785793	0	34	-1.0	-51.34	327.23	5.23	-46.11
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010785794	0	45	-1.0	-51.46	387.26	3.87	-47.59
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010785795	0	33	-2.0	-130.24	306.60	5.08	-125.16
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785796	0	44	-1.0	-59.33	353.19	5.96	-53.37
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=N1	REAL300010785797	0	37	-1.0	-51.85	318.31	0.77	-51.08
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1C#N	REAL300010785798	0	38	-1.0	-51.49	330.86	5.07	-46.42
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785799	0	40	-1.0	-55.58	349.70	4.83	-50.75
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785800	0	38	-1.0	-43.46	337.53	4.68	-38.78
CC(C)C[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010785801	0	35	-1.0	-50.82	319.42	2.89	-47.93
CC(C)C[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010785802	0	47	-1.0	-57.45	379.36	7.50	-49.95
CC(C)C[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010785803	0	45	-1.0	-56.28	372.36	4.89	-51.39
CC(C)C[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010785804	0	51	-1.0	-56.89	390.51	10.88	-46.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010785805	0	48	-1.0	-55.03	386.28	6.41	-48.62
COC1=CC=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785806	0	41	-1.0	-44.18	333.99	4.29	-39.89
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785807	0	39	-1.0	-51.49	340.84	2.96	-48.53
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010785808	0	35	-1.0	-52.35	331.68	5.05	-47.30
CC(C)C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785809	0	36	-1.0	-51.64	342.41	5.63	-46.01
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785809	1	35	-2.0	-121.90	339.31	6.30	-115.60
COC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785810	0	41	-1.0	-56.19	350.75	4.79	-51.40
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785811	0	40	-1.0	-52.30	361.21	4.65	-47.65
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010785812	0	41	-1.0	-55.24	339.52	3.95	-51.29
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010785813	0	42	-1.0	-53.96	354.01	3.71	-50.25
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010785814	0	38	-1.0	-53.71	335.80	3.79	-49.92
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010785815	0	37	-1.0	-47.34	335.18	5.24	-42.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C	REAL300010785816	0	45	-1.0	-56.33	379.71	1.17	-55.16
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C2S1	REAL300010785817	0	46	-1.0	-52.46	405.14	7.19	-45.27
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010785818	0	38	-1.0	-61.95	332.65	5.31	-56.64
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010785819	0	40	-1.0	-66.32	329.81	3.48	-62.84
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010785820	0	39	-1.0	-59.68	347.24	-0.32	-60.00
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785821	0	40	-1.0	-45.86	355.14	5.10	-40.76
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785822	0	42	-1.0	-66.20	364.76	5.87	-60.33
COC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(Br)=C1	REAL300010785823	0	38	-1.0	-43.62	340.19	4.39	-39.23
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])OCO2	REAL300010785824	0	40	-1.0	-56.30	332.44	3.74	-52.56
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785825	0	40	-1.0	-48.36	345.15	5.54	-42.82
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010785826	0	34	-1.0	-49.82	318.45	5.10	-44.72
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785827	0	40	-1.0	-49.73	326.43	5.94	-43.79
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010785828	0	34	-1.0	-40.07	327.45	5.61	-34.46
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])OCC(=O)N2	REAL300010785829	0	44	-1.0	-47.25	373.81	1.44	-45.81
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010785830	0	35	-2.0	-124.18	335.39	5.92	-118.26
CC(C)C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010785830	1	36	-1.0	-38.78	345.15	5.63	-33.15
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010785831	0	32	-1.0	-52.43	303.47	3.72	-48.71
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010785832	0	36	-1.0	-38.40	341.15	5.49	-32.91
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010785832	1	35	-2.0	-119.30	333.65	5.73	-113.57
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010785833	0	34	-1.0	-50.16	316.82	5.41	-44.75
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010785833	1	33	-2.0	-122.03	315.54	6.02	-116.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010785834	0	35	-1.0	-62.81	306.37	2.54	-60.27
COC1=CN=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785835	0	37	-1.0	-52.58	315.71	1.55	-51.03
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010785836	0	34	-1.0	-59.53	308.47	4.64	-54.89
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300010785837	0	44	-1.0	-54.13	372.90	4.88	-49.25
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010785838	0	34	-1.0	-49.69	320.15	5.11	-44.58
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010785839	0	37	-1.0	-57.62	331.23	5.43	-52.19
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785840	0	37	-1.0	-57.38	335.65	1.64	-55.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785840	1	36	-2.0	-97.02	332.98	0.54	-96.48
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010785841	0	37	-1.0	-57.55	335.80	5.54	-52.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010785842	0	38	-1.0	-56.29	341.65	1.44	-54.85
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785843	0	43	-1.0	-68.83	344.47	6.66	-62.17
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785844	0	42	-1.0	-56.22	346.18	2.61	-53.61
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010785845	0	38	-1.0	-56.00	346.22	1.54	-54.46
CCOC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785846	0	41	-1.0	-54.06	341.70	4.37	-49.69
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010785847	0	45	-1.0	-60.69	371.51	5.36	-55.33
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010785848	0	38	-1.0	-48.55	347.31	5.31	-43.24
COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785849	0	43	-1.0	-45.08	360.41	2.90	-42.18
CC1=CC=C(CCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785850	0	43	-1.0	-55.80	357.64	6.35	-49.45
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785851	0	41	-1.0	-57.37	360.70	4.79	-52.58
CC(C)C[C@@H](NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010785852	0	38	-1.0	-51.91	320.98	1.40	-50.51
CCN(CC(C)C#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785853	0	42	-1.0	-54.35	327.67	4.50	-49.85
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010785854	0	37	-1.0	-45.43	319.60	2.96	-42.47
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010785855	0	35	-1.0	-66.07	317.71	4.50	-61.57
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010785856	0	35	-1.0	-41.36	330.88	5.14	-36.22
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785857	0	40	-1.0	-50.69	337.19	5.73	-44.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010785858	0	40	-1.0	-59.32	343.38	5.49	-53.83
COCCOCCOCCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785859	0	48	-1.0	-56.71	399.22	1.52	-55.19
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785860	0	44	-1.0	-49.17	383.82	1.69	-47.48
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010785861	0	33	-2.0	-137.73	309.82	5.47	-132.26
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010785861	1	34	-1.0	-53.89	309.96	4.90	-48.99
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2CC1	REAL300010785862	0	51	-1.0	-57.16	403.87	6.12	-51.04
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(F)(F)F	REAL300010785863	0	43	-1.0	-55.80	375.78	5.64	-50.16
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010785864	0	44	-1.0	-51.07	387.11	5.95	-45.12
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785865	0	43	-1.0	-54.33	360.60	7.24	-47.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010785866	0	43	-1.0	-54.12	356.43	6.95	-47.17
CC(C)C[C@@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010785867	0	41	-1.0	-61.57	332.11	3.26	-58.31
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785868	0	44	-1.0	-63.21	370.83	3.20	-60.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010785869	0	34	-1.0	-54.03	316.57	4.88	-49.15
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010785869	1	33	-2.0	-133.89	307.78	5.28	-128.61
CC(C)C[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010785870	0	47	-1.0	-58.86	391.02	5.74	-53.12
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010785871	0	43	-1.0	-41.83	389.71	6.42	-35.41
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(F)C=C1Cl	REAL300010785871	1	42	-2.0	-128.04	382.07	6.64	-121.40
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010785872	0	36	-1.0	-51.11	334.98	5.91	-45.20
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010785872	1	35	-2.0	-124.10	333.09	6.50	-117.60
CC(C)C[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010785873	0	43	-1.0	-66.29	351.75	1.38	-64.91
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785874	0	41	-2.0	-131.00	353.39	5.94	-125.06
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1OC	REAL300010785875	0	45	-1.0	-55.47	388.97	4.12	-51.35
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(F)C=C1C	REAL300010785876	0	46	-1.0	-44.25	392.71	6.56	-37.69
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785877	0	48	-1.0	-59.63	402.63	2.35	-57.28
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785878	0	45	-1.0	-50.44	378.20	3.89	-46.55
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785879	0	47	-1.0	-47.88	397.33	5.74	-42.14
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1C	REAL300010785880	0	46	-1.0	-51.89	383.28	6.24	-45.65
CC(C)C[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010785881	0	37	-1.0	-44.26	328.67	5.66	-38.60
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785882	0	46	-1.0	-60.26	389.47	6.48	-53.78
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785883	0	40	-1.0	-56.25	364.87	6.94	-49.31
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-]	REAL300010785883	1	39	-2.0	-135.51	359.00	7.38	-128.13
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010785884	0	37	-1.0	-40.05	329.90	6.23	-33.82
CC(C)C[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010785885	0	50	-1.0	-57.05	391.17	5.59	-51.46
CC1=C(CCS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])SC=N1	REAL300010785886	0	39	-1.0	-55.66	340.08	3.40	-52.26
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010785887	0	40	-1.0	-54.91	352.47	6.17	-48.74
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785888	0	43	-1.0	-46.25	377.01	6.00	-40.25
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010785889	0	44	-1.0	-54.92	365.30	7.57	-47.35
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785890	0	48	-1.0	-55.42	409.69	1.92	-53.50
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010785891	0	37	-1.0	-55.49	331.22	5.49	-50.00
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN1C	REAL300010785892	0	46	-1.0	-52.91	393.45	5.29	-47.62
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010785893	0	40	-1.0	-61.71	361.43	2.10	-59.61
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010785894	0	38	-1.0	-58.81	336.65	5.05	-53.76
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010785895	0	37	-1.0	-53.04	322.49	5.01	-48.03
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785896	0	36	-1.0	-48.80	314.26	3.48	-45.32
CC1=NC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010785897	0	37	-1.0	-56.97	329.04	3.44	-53.53
CC1=NC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C(Br)N1C	REAL300010785897	1	36	-2.0	-140.83	328.09	4.06	-136.77
CC(C)C[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010785898	0	35	-1.0	-47.21	314.52	2.95	-44.26
COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785899	0	42	-1.0	-52.92	339.17	4.10	-48.82
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785900	0	47	-1.0	-59.39	384.60	4.99	-54.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010785901	0	37	-2.0	-98.09	329.87	4.65	-93.44
CC(C)C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010785901	1	38	-1.0	-52.85	337.66	3.52	-49.33
CCOC(=O)CC1(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	REAL300010785902	0	43	-1.0	-64.70	345.54	5.42	-59.28
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010785903	0	35	-1.0	-37.68	338.86	5.31	-32.37
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010785903	1	34	-2.0	-122.60	331.50	5.66	-116.94
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785904	0	45	-1.0	-59.65	380.67	3.81	-55.84
CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010785905	0	49	-1.0	-52.06	403.57	6.95	-45.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785906	0	46	-1.0	-57.37	393.96	3.36	-54.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010785907	0	39	-1.0	-56.85	337.34	1.37	-55.48
COC(=O)C1(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CCCC1	REAL300010785908	0	46	-1.0	-61.50	364.81	5.40	-56.10
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010785909	0	33	-1.0	-46.60	322.22	3.37	-43.23
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785910	0	41	-1.0	-52.46	362.91	4.39	-48.07
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010785911	0	40	-1.0	-50.26	345.53	5.68	-44.58
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010785912	0	45	-1.0	-51.80	396.64	7.52	-44.28
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785913	0	43	-1.0	-60.59	368.06	5.60	-54.99
CC(C)C[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010785914	0	36	-1.0	-49.84	326.03	3.81	-46.03
CC(C)C[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010785915	0	44	-1.0	-57.32	339.29	5.60	-51.72
CC(C)C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010785916	0	40	-1.0	-57.74	351.94	6.09	-51.65
COC(=O)C1(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CCC1	REAL300010785917	0	43	-1.0	-61.53	353.72	4.57	-56.96
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010785918	0	34	-1.0	-51.57	323.17	4.34	-47.23
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010785919	0	38	-1.0	-55.46	339.20	5.21	-50.25
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785920	0	47	-1.0	-55.47	400.94	4.53	-50.94
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785921	0	50	-1.0	-55.02	422.81	5.46	-49.56
COC(=O)C1(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CCCCC1	REAL300010785922	0	49	-1.0	-61.47	377.19	5.79	-55.68
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CN=C1C	REAL300010785923	0	42	-1.0	-49.82	356.64	3.53	-46.29
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010785924	0	38	-1.0	-59.51	333.96	3.81	-55.70
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785925	0	43	-1.0	-51.17	384.22	6.26	-44.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010785926	0	35	-1.0	-53.11	317.89	4.58	-48.53
CC(C)C[C@@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010785927	0	44	-1.0	-57.54	347.79	3.49	-54.05
CC(C)C[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010785928	0	50	-1.0	-63.36	423.34	6.05	-57.31
CC1=CC(C)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])S1	REAL300010785929	0	37	-1.0	-56.59	311.22	4.97	-51.62
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010785930	0	36	-1.0	-52.79	330.48	3.60	-49.19
CC(C)C[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010785931	0	47	-1.0	-57.40	348.41	6.20	-51.20
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010785932	0	43	-1.0	-56.83	355.22	5.74	-51.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010785933	0	35	-1.0	-59.22	315.13	3.97	-55.25
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010785934	0	40	-1.0	-59.32	348.17	5.84	-53.48
CC(C)C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010785935	0	37	-1.0	-47.45	327.93	3.08	-44.37
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010785935	1	36	-2.0	-129.59	326.10	3.47	-126.12
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785936	0	36	-1.0	-55.89	319.46	6.21	-49.68
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010785936	1	35	-2.0	-124.51	327.18	6.81	-117.70
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C(F)C=C1C	REAL300010785937	0	43	-1.0	-55.53	358.95	5.21	-50.32
CC1=CC2=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010785938	0	42	-1.0	-53.86	367.38	5.56	-48.30
CC(C)C[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010785939	0	43	-1.0	-54.17	344.42	5.37	-48.80
CC(C)C[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010785940	0	44	-1.0	-54.96	370.27	4.95	-50.01
CC(C)C[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010785941	0	61	-1.0	-54.76	455.72	10.24	-44.52
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010785942	0	39	-1.0	-47.37	346.73	5.41	-41.96
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785943	0	46	-1.0	-58.82	391.03	6.51	-52.31
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785944	0	39	-1.0	-58.83	330.38	3.85	-54.98
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785945	0	41	-1.0	-52.37	358.97	4.46	-47.91
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010785946	0	41	-1.0	-54.09	340.33	6.26	-47.83
COC1=CC=C2C=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])CCC2=C1	REAL300010785947	0	46	-1.0	-54.50	377.09	5.95	-48.55
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010785948	0	42	-1.0	-53.90	350.94	5.12	-48.78
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010785949	0	37	-1.0	-52.95	329.81	4.80	-48.15
CC(C)C[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010785949	1	36	-2.0	-129.72	323.66	5.10	-124.62
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010785950	0	37	-1.0	-54.77	327.42	6.02	-48.75
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010785950	1	36	-2.0	-137.22	338.79	6.66	-130.56
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010785951	0	37	-1.0	-57.30	341.25	5.54	-51.76
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010785952	0	43	-1.0	-70.30	375.44	2.40	-67.90
CC(C)C[C@@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010785953	0	37	-1.0	-49.76	318.77	5.05	-44.71
CC(C)C[C@@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010785954	0	46	-1.0	-55.97	356.89	5.85	-50.12
CC1=CC2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2C=C1	REAL300010785955	0	43	-1.0	-55.15	358.44	7.10	-48.05
CC(C)C[C@@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010785956	0	31	-1.0	-57.13	291.02	3.39	-53.74
CC(C)C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010785956	1	30	-2.0	-134.32	295.46	4.12	-130.20
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785957	0	43	-1.0	-56.03	374.30	6.18	-49.85
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010785958	0	49	-1.0	-58.95	412.49	4.73	-54.22
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010785959	0	47	-1.0	-57.61	387.11	4.48	-53.13
CC(C)C[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010785960	0	37	-1.0	-59.14	333.03	5.36	-53.78
CC(C)C[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010785961	0	40	-1.0	-49.09	343.28	6.64	-42.45
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(CC)=C1	REAL300010785962	0	52	-1.0	-54.15	384.13	8.66	-45.49
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010785963	0	39	-1.0	-54.02	326.82	4.02	-50.00
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010785964	0	41	-1.0	-56.14	346.64	3.88	-52.26
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010785965	0	36	-1.0	-50.23	338.54	4.06	-46.17
COC1=CC(OC)=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785966	0	42	-1.0	-55.32	363.10	4.35	-50.97
CC(C)C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010785967	0	42	-1.0	-52.01	361.70	2.61	-49.40
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010785968	0	39	-1.0	-57.19	344.89	-0.92	-58.11
CC(C)C[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010785969	0	45	-1.0	-62.79	364.00	1.32	-61.47
COC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Cl	REAL300010785970	0	38	-1.0	-50.80	335.93	4.01	-46.79
CC(C)C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010785971	0	37	-1.0	-55.03	320.50	1.51	-53.52
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785972	0	47	-1.0	-59.33	387.44	5.36	-53.97
CC(C)C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010785973	0	39	-1.0	-48.34	324.72	4.54	-43.80
CC1=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010785974	0	43	-1.0	-56.64	363.96	7.25	-49.39
CC(C)C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010785975	0	38	-1.0	-50.44	324.92	4.51	-45.93
CC(C)C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010785976	0	38	-1.0	-50.58	334.99	4.99	-45.59
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1F	REAL300010785977	0	43	-1.0	-56.24	373.36	5.66	-50.58
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785978	0	47	-1.0	-57.77	379.56	5.58	-52.19
COC(CC(C)C)CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785979	0	46	-1.0	-56.81	362.61	3.99	-52.82
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785980	0	38	-1.0	-43.75	327.21	4.23	-39.52
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010785981	0	37	-1.0	-53.36	349.53	5.95	-47.41
CC(C)C[C@@H](NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010785982	0	44	-1.0	-58.38	351.04	3.46	-54.92
CC(C)C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010785983	0	37	-1.0	-55.02	348.20	5.97	-49.05
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010785984	0	37	-1.0	-52.20	330.23	3.22	-48.98
CCC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010785985	0	42	-1.0	-50.82	353.23	6.03	-44.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785986	0	50	-1.0	-47.61	399.34	6.47	-41.14
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010785987	0	41	-1.0	-61.52	356.61	6.09	-55.43
COC1=CC=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785988	0	38	-1.0	-54.46	320.15	3.42	-51.04
COC1=NC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300010785989	0	37	-1.0	-48.52	334.49	1.32	-47.20
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300010785990	0	43	-1.0	-45.61	377.00	6.02	-39.59
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785991	0	43	-1.0	-51.79	384.48	5.78	-46.01
CC(C)C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010785992	0	37	-1.0	-55.57	331.09	5.44	-50.13
CC1=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=CC=C1Cl	REAL300010785993	0	37	-1.0	-50.98	326.32	5.28	-45.70
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010785994	0	40	-1.0	-58.20	339.19	5.14	-53.06
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C2)=N1	REAL300010785995	0	43	-1.0	-54.51	376.57	5.62	-48.89
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010785996	0	40	-1.0	-46.74	366.00	5.92	-40.82
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])=C1F	REAL300010785996	1	39	-2.0	-132.98	360.70	5.88	-127.10
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])=C1	REAL300010785997	0	43	-1.0	-57.99	370.55	5.59	-52.40
CCOC1=CC=C(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])C=C1	REAL300010785998	0	41	-1.0	-53.75	341.69	4.37	-49.38
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H](CC(C)C)C(=O)[O-]	REAL300010785999	0	40	-1.0	-55.42	348.39	6.01	-49.41
CC(C)C[C@@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010786000	0	47	-1.0	-56.65	369.29	4.27	-52.38
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300010786983	0	36	-1.0	-47.12	297.20	4.08	-43.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010786984	0	36	-1.0	-48.56	313.15	4.59	-43.97
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786985	0	44	-1.0	-60.71	351.48	6.35	-54.36
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010786986	0	37	-1.0	-50.14	323.24	6.41	-43.73
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010786987	0	36	-1.0	-50.49	304.87	2.94	-47.55
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786988	0	37	-1.0	-54.20	306.71	6.72	-47.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010786989	0	34	-1.0	-63.62	311.63	5.22	-58.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010786990	0	29	-1.0	-44.02	276.58	5.15	-38.87
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010786991	0	31	-1.0	-58.14	268.54	5.76	-52.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010786992	0	26	-1.0	-53.26	259.74	3.73	-49.53
N#CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300010786993	0	39	-1.0	-67.00	310.05	5.91	-61.09
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010786994	0	31	-1.0	-57.04	280.75	4.82	-52.22
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010786995	0	33	-1.0	-57.35	306.18	4.92	-52.43
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010786996	0	39	-1.0	-45.67	332.39	4.98	-40.69
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010786997	0	42	-1.0	-72.28	367.83	6.04	-66.24
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C12	REAL300010786998	0	36	-1.0	-53.18	316.61	2.71	-50.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010786999	0	41	-1.0	-48.37	332.92	5.50	-42.87
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010787000	0	29	-1.0	-52.17	265.98	4.91	-47.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010787029	0	32	-1.0	-41.06	304.25	5.56	-35.50
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787030	0	35	-1.0	-51.85	318.89	5.82	-46.03
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787031	0	39	-1.0	-58.60	346.29	4.31	-54.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010787032	0	40	-1.0	-70.90	354.26	6.81	-64.09
COC1=CC=C(CCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787033	0	39	-1.0	-63.18	331.68	5.64	-57.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010787034	0	44	-1.0	-54.14	373.45	5.70	-48.44
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010787035	0	32	-1.0	-60.03	294.39	3.87	-56.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010787036	0	40	-1.0	-63.79	337.36	6.30	-57.49
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010787037	0	37	-1.0	-68.34	308.47	6.54	-61.80
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300010787038	0	37	-1.0	-59.76	328.67	4.83	-54.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010787039	0	32	-1.0	-49.71	286.69	5.08	-44.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010787040	0	32	-1.0	-54.32	296.64	5.90	-48.42
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787041	0	32	-1.0	-47.46	291.50	5.33	-42.13
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787042	0	33	-1.0	-64.28	284.63	5.70	-58.58
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010787043	0	36	-1.0	-61.81	329.36	4.65	-57.16
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787044	0	40	-1.0	-66.89	331.48	3.78	-63.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010787045	0	41	-1.0	-50.00	343.85	3.79	-46.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010787046	0	35	-1.0	-45.73	329.25	2.17	-43.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010787047	0	37	-1.0	-51.18	322.07	5.32	-45.86
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787048	0	39	-1.0	-58.60	346.29	4.31	-54.29
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300010787049	0	39	-1.0	-60.21	335.03	5.55	-54.66
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=CS1	REAL300010787050	0	35	-1.0	-68.97	303.50	5.63	-63.34
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010787051	0	33	-1.0	-56.35	291.08	4.37	-51.98
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787052	0	40	-1.0	-65.76	337.12	5.25	-60.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787053	0	43	-1.0	-54.56	366.32	5.45	-49.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010787054	0	43	-1.0	-63.52	364.39	8.37	-55.15
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787055	0	37	-1.0	-56.30	323.20	6.41	-49.89
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010787056	0	29	-1.0	-53.84	293.98	5.98	-47.86
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787057	0	41	0.0	-63.02	327.17	5.94	-57.08
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010787058	0	44	-1.0	-58.17	379.09	7.66	-50.51
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787059	0	41	-1.0	-56.62	339.33	6.31	-50.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010787060	0	29	-1.0	-51.68	284.04	5.86	-45.82
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787061	0	29	-1.0	-46.18	281.02	4.39	-41.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010787062	0	35	-1.0	-48.90	296.88	4.65	-44.25
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787063	0	33	-1.0	-58.38	287.38	4.20	-54.18
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010787064	0	37	-1.0	-75.67	309.47	7.96	-67.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010787065	0	35	-1.0	-47.65	309.81	5.84	-41.81
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010787066	0	39	-1.0	-53.83	335.52	7.43	-46.40
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787067	0	32	-1.0	-57.89	290.06	6.16	-51.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010787068	0	34	-1.0	-54.44	290.06	4.28	-50.16
CC1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787069	0	35	-1.0	-62.58	305.51	6.49	-56.09
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787070	0	37	-1.0	-67.40	311.42	6.64	-60.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010787071	0	29	-1.0	-56.46	280.66	5.71	-50.75
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010787072	0	39	-1.0	-53.83	335.52	7.43	-46.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010787073	0	28	-1.0	-51.24	273.11	3.67	-47.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010787074	0	29	-1.0	-53.23	291.49	6.07	-47.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010787075	0	40	-1.0	-55.74	351.89	4.81	-50.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010787076	0	29	-1.0	-57.94	276.45	5.39	-52.55
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787077	0	39	-1.0	-63.35	314.19	6.48	-56.87
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787078	0	35	-1.0	-55.62	314.68	5.68	-49.94
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787079	0	33	-1.0	-63.56	295.54	5.37	-58.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010787080	0	30	-1.0	-60.76	282.86	3.79	-56.97
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010787081	0	42	-1.0	-62.34	343.85	8.34	-54.00
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=NO1	REAL300010787082	0	40	-1.0	-66.57	336.91	5.78	-60.79
O=C([O-])[C@@H]1CCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010787083	0	46	-1.0	-50.99	343.79	9.79	-41.20
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010787084	0	43	-1.0	-61.26	344.21	6.92	-54.34
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787085	0	34	-1.0	-60.39	305.32	3.85	-56.54
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010787086	0	30	-1.0	-53.35	295.87	5.89	-47.46
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010787087	0	31	-1.0	-52.61	303.15	6.25	-46.36
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787088	0	36	-1.0	-62.42	308.55	5.35	-57.07
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787089	0	35	-1.0	-56.58	333.57	5.90	-50.68
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010787090	0	37	-1.0	-58.10	320.63	4.53	-53.57
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010787091	0	33	-1.0	-57.12	300.83	4.64	-52.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010787092	0	32	-1.0	-55.75	299.69	6.05	-49.70
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010787093	0	40	-1.0	-53.91	340.69	1.02	-52.89
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2S1	REAL300010787094	0	41	-1.0	-57.60	370.00	8.04	-49.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010787095	0	35	-1.0	-59.14	304.97	4.02	-55.12
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010787096	0	34	-1.0	-63.49	312.15	0.61	-62.88
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787097	0	35	-1.0	-56.24	312.64	5.57	-50.67
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787098	0	37	-1.0	-70.33	324.15	6.62	-63.71
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010787099	0	33	-1.0	-56.99	294.01	4.73	-52.26
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-])OCO2	REAL300010787100	0	35	-1.0	-61.64	288.24	4.20	-57.44
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010787101	0	35	-1.0	-46.36	318.15	5.26	-41.10
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787102	0	35	-1.0	-46.33	301.53	5.35	-40.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010787103	0	29	-1.0	-54.28	278.67	5.83	-48.45
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787104	0	35	-1.0	-53.93	284.57	6.50	-47.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010787105	0	29	-1.0	-57.83	281.81	5.81	-52.02
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-])OCC(=O)N2	REAL300010787106	0	39	-1.0	-64.95	329.46	2.08	-62.87
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010787107	0	31	-1.0	-51.16	298.53	5.95	-45.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010787108	0	29	-1.0	-40.64	273.59	5.31	-35.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010787109	0	30	-1.0	-61.80	276.86	3.43	-58.37
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010787110	0	29	-1.0	-58.17	279.32	5.23	-52.94
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010787111	0	39	-1.0	-59.58	337.43	5.70	-53.88
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010787112	0	29	-1.0	-53.92	281.28	5.94	-47.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010787113	0	32	-1.0	-46.43	293.32	5.45	-40.98
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787114	0	32	-1.0	-66.24	300.34	2.48	-63.76
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787114	1	31	-2.0	-103.75	297.02	1.37	-102.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010787115	0	32	-1.0	-46.38	297.89	5.55	-40.83
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787116	0	33	-1.0	-61.39	306.61	2.28	-59.11
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787117	0	38	-1.0	-59.31	316.91	6.66	-52.65
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787118	0	33	-1.0	-61.20	311.18	2.39	-58.81
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C2O1	REAL300010787119	0	40	-1.0	-66.35	330.18	6.21	-60.14
N#CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010787120	0	33	-1.0	-52.98	312.05	6.18	-46.80
COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787121	0	38	-1.0	-64.87	321.72	4.31	-60.56
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787122	0	36	-1.0	-63.79	326.29	5.53	-58.26
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787123	0	30	-1.0	-57.89	286.02	5.63	-52.26
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787124	0	35	-1.0	-57.28	303.49	6.36	-50.92
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787125	0	46	-1.0	-66.66	392.12	4.71	-61.95
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010787126	0	35	-1.0	-68.95	310.01	6.31	-62.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787127	0	39	-1.0	-72.42	341.09	2.40	-70.02
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010787128	0	29	-1.0	-64.51	278.49	5.50	-59.01
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2CC1	REAL300010787129	0	46	-1.0	-52.51	360.39	5.94	-46.57
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010787130	0	38	-1.0	-60.54	340.29	6.46	-54.08
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010787131	0	39	-1.0	-55.56	345.43	6.68	-48.88
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787132	0	38	-1.0	-59.58	325.61	7.55	-52.03
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787133	0	38	-1.0	-59.90	322.20	7.23	-52.67
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787134	0	39	-1.0	-66.02	335.27	4.05	-61.97
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787135	0	43	-1.0	-58.96	362.95	5.88	-53.08
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010787136	0	29	-1.0	-58.83	273.33	5.44	-53.39
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010787137	0	38	-1.0	-55.24	347.00	6.88	-48.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010787138	0	38	-1.0	-76.96	316.37	2.18	-74.78
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010787139	0	40	-1.0	-59.80	347.22	4.82	-54.98
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010787140	0	41	-1.0	-58.81	350.79	7.04	-51.77
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787141	0	43	-1.0	-50.50	360.49	2.24	-48.26
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787142	0	40	-1.0	-67.04	335.47	4.60	-62.44
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787143	0	42	-1.0	-70.74	355.32	6.44	-64.30
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010787144	0	41	-1.0	-60.63	348.05	7.10	-53.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010787145	0	32	-1.0	-59.41	286.75	6.18	-53.23
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787146	0	41	-1.0	-52.30	347.64	6.41	-45.89
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787147	0	35	-1.0	-63.03	325.24	6.95	-56.08
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010787148	0	32	-1.0	-48.31	293.32	5.90	-42.41
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787149	0	45	-1.0	-61.83	355.61	6.39	-55.44
CC1=C(CCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])SC=N1	REAL300010787150	0	34	-1.0	-61.81	305.39	4.19	-57.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010787151	0	35	-1.0	-61.32	318.21	6.97	-54.35
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787152	0	38	-1.0	-65.04	333.18	6.49	-58.55
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010787153	0	39	-1.0	-56.56	326.72	7.56	-49.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010787154	0	32	-1.0	-63.93	296.74	6.23	-57.70
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010787155	0	41	-1.0	-44.58	351.36	5.15	-39.43
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010787156	0	35	-1.0	-52.46	319.30	1.98	-50.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010787157	0	33	-1.0	-63.88	303.12	5.69	-58.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010787158	0	32	-1.0	-49.39	284.69	5.02	-44.37
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787159	0	31	-1.0	-54.58	276.55	3.94	-50.64
CC1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300010787160	0	32	-1.0	-67.29	295.98	4.46	-62.83
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010787161	0	30	-1.0	-46.99	272.27	2.90	-44.09
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787162	0	42	-1.0	-51.30	341.67	4.89	-46.41
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010787163	0	32	-2.0	-106.13	297.43	4.65	-101.48
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010787163	1	33	-1.0	-57.22	301.35	3.61	-53.61
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010787164	0	46	-1.0	-67.47	401.22	5.36	-62.11
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010787165	0	30	-1.0	-53.98	298.33	5.79	-48.19
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787166	0	40	-1.0	-63.44	348.91	4.39	-59.05
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010787167	0	44	-1.0	-60.93	368.29	7.82	-53.11
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787168	0	41	-1.0	-54.36	352.43	3.26	-51.10
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787169	0	40	-1.0	-56.25	378.43	5.42	-50.83
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010787170	0	34	-1.0	-58.10	301.79	2.19	-55.91
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010787171	0	28	-1.0	-51.60	286.67	4.17	-47.43
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787172	0	36	-1.0	-58.06	327.18	5.22	-52.84
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010787173	0	35	-1.0	-43.92	303.27	5.56	-38.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010787174	0	40	-1.0	-45.72	354.20	7.41	-38.31
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787175	0	38	-1.0	-54.32	329.48	5.59	-48.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010787176	0	31	-1.0	-65.23	282.91	4.70	-60.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010787177	0	35	-1.0	-64.06	318.72	6.93	-57.13
COC(=O)C1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1	REAL300010787178	0	38	-1.0	-72.19	319.27	5.21	-66.98
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010787179	0	29	-1.0	-53.28	287.94	5.20	-48.08
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787180	0	33	-1.0	-62.13	304.99	5.95	-56.18
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1I	REAL300010787181	0	32	-1.0	-59.74	300.71	6.63	-53.11
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787182	0	42	-1.0	-60.98	365.23	5.36	-55.62
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787183	0	45	-1.0	-60.50	387.08	6.28	-54.22
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN=C1C	REAL300010787184	0	37	-1.0	-54.87	321.60	4.33	-50.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010787185	0	33	-1.0	-55.62	302.39	4.72	-50.90
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787186	0	38	-1.0	-56.17	348.74	7.08	-49.09
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010787187	0	45	-1.0	-70.12	389.31	6.82	-63.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010787188	0	31	-1.0	-50.80	297.52	4.55	-46.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010787189	0	38	-1.0	-53.46	313.66	5.64	-47.82
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010787190	0	30	-1.0	-54.08	286.23	4.35	-49.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010787191	0	35	-1.0	-63.12	312.96	6.70	-56.42
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010787192	0	32	-1.0	-57.03	286.35	3.20	-53.83
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010787193	0	31	-1.0	-47.57	291.09	6.32	-41.25
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010787194	0	38	-1.0	-58.71	329.01	6.13	-52.58
CC1=CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010787195	0	37	-1.0	-44.70	325.42	5.44	-39.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010787196	0	39	-1.0	-60.89	335.49	5.73	-55.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010787197	0	56	-1.0	-46.63	408.01	9.91	-36.72
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010787198	0	34	-1.0	-63.56	305.10	6.43	-57.13
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787199	0	41	-1.0	-63.27	355.47	7.37	-55.90
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787200	0	34	-1.0	-56.98	290.99	3.92	-53.06
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787201	0	36	-1.0	-46.01	317.02	4.35	-41.66
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300010787202	0	41	-1.0	-50.77	338.50	5.97	-44.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010787203	0	37	-1.0	-47.21	309.55	5.02	-42.19
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010787204	0	32	-1.0	-55.70	293.66	5.15	-50.55
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010787205	0	32	-1.0	-60.48	308.76	6.74	-53.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787206	0	43	-1.0	-63.97	377.51	3.21	-60.76
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787206	1	42	-2.0	-106.09	371.14	3.38	-102.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010787207	0	32	-1.0	-47.17	303.60	5.60	-41.57
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787208	0	38	-1.0	-56.34	337.30	2.45	-53.89
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010787209	0	38	-1.0	-51.21	316.08	6.98	-44.23
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787210	0	38	-1.0	-62.54	332.88	6.41	-56.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010787211	0	44	-1.0	-50.81	370.44	4.60	-46.21
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787212	0	42	-1.0	-49.52	345.27	4.41	-45.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010787213	0	32	-1.0	-62.82	297.68	6.24	-56.58
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010787214	0	35	-1.0	-61.86	301.42	7.17	-54.69
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300010787215	0	47	-1.0	-57.92	359.48	9.37	-48.55
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C12	REAL300010787216	0	48	-1.0	-58.40	396.87	5.77	-52.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010787217	0	36	-1.0	-67.88	311.37	4.75	-63.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010787218	0	31	-1.0	-61.12	303.54	4.91	-56.21
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787219	0	37	-1.0	-64.17	325.84	4.74	-59.43
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010787220	0	37	-1.0	-53.38	326.54	3.56	-49.82
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787221	0	34	-1.0	-66.71	309.60	-0.05	-66.76
CC(C)(CCS(=O)(=O)N1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300010787222	0	40	-1.0	-75.75	329.49	2.07	-73.68
COC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010787223	0	33	-1.0	-56.17	300.89	4.85	-51.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010787224	0	32	-1.0	-59.65	289.63	2.41	-57.24
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787225	0	42	-1.0	-65.13	354.39	6.18	-58.95
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010787226	0	38	-1.0	-52.97	320.15	6.95	-46.02
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010787227	0	33	-1.0	-60.88	294.97	5.19	-55.69
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010787228	0	33	-1.0	-60.38	305.30	5.64	-54.74
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787229	0	38	-1.0	-62.10	337.75	6.47	-55.63
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787230	0	42	-1.0	-65.24	344.32	6.34	-58.90
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787231	0	33	-1.0	-64.40	285.21	4.93	-59.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010787232	0	32	-1.0	-59.96	314.87	6.73	-53.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010787233	0	32	-1.0	-61.04	313.54	6.74	-54.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010787234	0	32	-1.0	-52.36	294.94	4.09	-48.27
CCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787235	0	37	-1.0	-40.94	311.24	5.87	-35.07
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787236	0	45	-1.0	-66.21	356.50	7.18	-59.03
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010787237	0	36	-1.0	-59.61	330.80	7.38	-52.23
N#CCC1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787238	0	36	-1.0	-66.91	321.04	6.93	-59.98
COC1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787239	0	32	-1.0	-53.29	298.61	2.22	-51.07
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787240	0	38	-1.0	-55.77	334.51	6.50	-49.27
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787241	0	38	-1.0	-44.43	342.32	5.70	-38.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010787242	0	32	-1.0	-61.25	295.53	6.30	-54.95
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010787243	0	32	-1.0	-44.86	284.29	5.15	-39.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010787244	0	35	-1.0	-71.05	303.48	5.98	-65.07
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300010787245	0	38	-1.0	-51.14	335.03	5.52	-45.62
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1F	REAL300010787246	0	35	-1.0	-56.70	327.53	6.03	-50.67
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787247	0	38	-1.0	-64.79	331.60	6.19	-58.60
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787248	0	35	-1.0	-61.24	311.22	6.95	-54.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010787249	0	42	-1.0	-63.97	334.90	5.01	-58.96
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010787250	0	44	-1.0	-53.05	370.00	2.80	-50.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010787251	0	37	-1.0	-55.09	302.83	5.46	-49.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010787252	0	36	-1.0	-67.21	320.47	2.86	-64.35
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010787253	0	29	-1.0	-52.99	277.96	5.56	-47.43
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])SC(Br)=C1	REAL300010787254	0	29	-1.0	-55.64	286.61	5.44	-50.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010787255	0	38	-1.0	-52.83	312.75	4.58	-48.25
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787256	0	39	-1.0	-57.98	325.14	3.44	-54.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010787257	0	35	-1.0	-61.65	308.59	6.41	-55.24
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787258	0	33	-1.0	-59.02	305.79	5.53	-53.49
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)NCCC2	REAL300010787259	0	44	-1.0	-75.73	356.43	3.96	-71.77
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])S2)C1	REAL300010787260	0	40	-1.0	-53.14	342.37	4.65	-48.49
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010787261	0	36	-1.0	-60.25	331.31	7.50	-52.75
COC(CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCOC1	REAL300010787262	0	40	-1.0	-65.45	319.57	2.82	-62.63
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010787263	0	32	-1.0	-61.07	303.22	6.30	-54.77
NC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1Br	REAL300010787264	0	33	-1.0	-53.51	308.63	2.30	-51.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010787265	0	32	-1.0	-61.98	299.94	6.18	-55.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010787266	0	29	-1.0	-54.16	293.39	6.13	-48.03
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787267	0	36	-1.0	-62.72	304.72	1.49	-61.23
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787268	0	54	-1.0	-46.63	429.12	8.98	-37.65
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787269	0	44	-1.0	-52.12	358.67	6.39	-45.73
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787270	0	39	-1.0	-62.87	342.56	7.16	-55.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010787271	0	29	-1.0	-52.81	282.37	5.66	-47.15
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787272	0	35	-1.0	-55.62	314.68	5.68	-49.94
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010787273	0	43	-1.0	-53.28	357.01	7.11	-46.17
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010787274	0	43	-1.0	-57.19	372.84	8.35	-48.84
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C2)=N1	REAL300010787275	0	41	-1.0	-66.32	341.13	4.60	-61.72
COC(CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010787276	0	39	-1.0	-61.48	339.82	5.56	-55.92
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010787277	0	41	-1.0	-50.01	333.05	5.48	-44.53
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])N(C)N=C1	REAL300010787278	0	35	-1.0	-56.75	304.29	3.66	-53.09
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010787279	0	37	-1.0	-58.47	337.25	3.89	-54.58
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010787280	0	41	-1.0	-62.15	341.29	7.54	-54.61
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010787281	0	40	-1.0	-57.00	333.53	3.14	-53.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1F	REAL300010787282	0	35	-1.0	-56.91	317.21	5.58	-51.33
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C(Cl)C=C21	REAL300010787283	0	40	-1.0	-70.59	343.08	6.34	-64.25
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787284	0	42	-1.0	-54.16	339.00	5.71	-48.45
COC(CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCC1	REAL300010787285	0	42	-1.0	-60.37	327.99	5.44	-54.93
COC(CS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300010787286	0	45	-1.0	-60.99	346.74	6.08	-54.91
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010787287	0	32	-1.0	-57.58	295.12	4.50	-53.08
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010787288	0	48	-1.0	-58.11	386.82	8.04	-50.07
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010787289	0	32	-1.0	-62.24	300.91	3.88	-58.36
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787290	0	33	-1.0	-59.44	286.72	4.95	-54.49
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010787291	0	37	-1.0	-55.39	311.52	7.06	-48.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010787292	0	42	-1.0	-56.32	354.53	7.12	-49.20
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300010787293	0	35	-1.0	-53.87	312.81	4.38	-49.49
CCC1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300010787294	0	42	-1.0	-70.28	349.46	6.80	-63.48
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787295	0	35	-1.0	-71.23	324.55	7.25	-63.98
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C1	REAL300010787296	0	40	-1.0	-58.79	333.82	4.61	-54.18
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787297	0	32	-1.0	-53.85	298.81	3.45	-50.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010787298	0	40	-1.0	-47.32	349.39	8.15	-39.17
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787299	0	32	-1.0	-58.20	290.06	6.15	-52.05
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010787300	0	39	-1.0	-67.29	315.67	8.04	-59.25
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010787301	0	49	-1.0	-59.14	408.43	9.79	-49.35
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787302	0	35	-1.0	-63.59	318.05	6.90	-56.69
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787303	0	36	-1.0	-65.30	324.93	5.60	-59.70
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010787304	0	35	-1.0	-64.06	310.93	6.60	-57.46
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1F	REAL300010787305	0	32	-1.0	-57.42	284.47	5.61	-51.81
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787306	0	38	-1.0	-56.28	319.88	4.05	-52.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010787307	0	35	-1.0	-66.17	307.73	3.37	-62.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010787308	0	36	-1.0	-49.05	324.36	3.35	-45.70
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])OC=C1	REAL300010787309	0	32	-1.0	-67.55	289.60	4.04	-63.51
CCC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300010787310	0	42	-1.0	-51.16	333.68	5.51	-45.65
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010787311	0	35	-1.0	-43.14	320.01	5.92	-37.22
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787312	0	37	-1.0	-64.59	325.85	5.81	-58.78
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300010787313	0	31	-1.0	-57.93	273.21	3.14	-54.79
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787314	0	32	-1.0	-57.96	299.19	6.56	-51.40
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010787315	0	38	-1.0	-53.38	300.15	7.01	-46.37
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010787316	0	36	-1.0	-47.09	315.14	4.18	-42.91
CC1=CC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C2NC1=O	REAL300010787317	0	38	-1.0	-46.32	319.95	3.79	-42.53
CN1N=NC2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787318	0	34	-1.0	-64.17	299.23	3.45	-60.72
CC1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010787319	0	38	-1.0	-64.01	338.52	6.42	-57.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010787320	0	29	-1.0	-55.49	263.37	1.88	-53.61
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010787321	0	34	-1.0	-51.75	302.15	6.14	-45.61
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010787322	0	35	-1.0	-51.05	306.94	5.50	-45.55
C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010787323	0	46	0.0	-84.95	358.01	4.17	-80.78
CN1CCN(CCCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1	REAL300010787323	1	45	-1.0	-62.36	353.92	1.88	-60.48
CN1N=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Br	REAL300010787324	0	29	-1.0	-57.37	272.23	2.92	-54.45
CN1N=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1I	REAL300010787325	0	29	-1.0	-56.70	277.31	3.42	-53.28
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787326	0	33	-1.0	-51.98	281.51	5.05	-46.93
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010787327	0	38	-1.0	-55.48	324.52	3.55	-51.93
CCCCN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=N1	REAL300010787328	0	41	-1.0	-59.19	339.77	5.29	-53.90
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(OC)C=C1F	REAL300010787329	0	39	-1.0	-61.29	337.98	5.54	-55.75
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787330	0	39	-1.0	-73.73	331.62	5.92	-67.81
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787331	0	33	-1.0	-59.77	286.78	4.91	-54.86
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010787332	0	45	-1.0	-58.49	365.32	7.24	-51.25
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787333	0	41	-1.0	-59.65	333.58	7.25	-52.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010787334	0	32	-1.0	-60.19	299.96	6.18	-54.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010787335	0	48	-1.0	-62.68	380.65	9.58	-53.10
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787336	0	34	-1.0	-62.01	319.88	4.88	-57.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010787337	0	26	-1.0	-60.35	254.72	2.98	-57.37
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010787338	0	37	-1.0	-62.48	324.83	5.80	-56.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010787339	0	28	-1.0	-52.71	273.89	3.96	-48.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010787340	0	28	-1.0	-53.03	269.78	3.42	-49.61
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787341	0	32	-1.0	-57.75	299.50	2.83	-54.92
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010787342	0	34	-1.0	-45.45	304.28	4.90	-40.55
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010787343	0	31	-1.0	-55.62	295.12	4.86	-50.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010787344	0	39	-1.0	-61.47	342.74	5.81	-55.66
CC1(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC1(Cl)Cl	REAL300010787345	0	32	-1.0	-65.62	295.05	5.57	-60.05
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010787346	0	28	-1.0	-62.70	284.47	3.32	-59.38
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010787347	0	31	-1.0	-58.01	308.86	5.09	-52.92
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010787348	0	31	-1.0	-58.22	287.91	6.12	-52.10
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010787349	0	37	-1.0	-63.82	308.31	4.20	-59.62
CCOC(=O)C1(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCC1	REAL300010787350	0	38	-1.0	-59.78	311.76	5.83	-53.95
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300010787351	0	40	-1.0	-73.70	341.94	1.47	-72.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010787352	0	30	-1.0	-41.82	297.20	3.30	-38.52
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787353	0	38	-1.0	-63.59	333.60	6.44	-57.15
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010787354	0	32	-1.0	-57.24	302.96	6.11	-51.13
CN1N=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1C(F)(F)F	REAL300010787355	0	32	-1.0	-56.72	281.74	3.01	-53.71
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787356	0	39	-1.0	-56.25	314.43	4.85	-51.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010787357	0	26	-1.0	-56.35	257.89	4.35	-52.00
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010787358	0	41	-1.0	-51.67	323.20	4.43	-47.24
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010787359	0	39	-1.0	-56.82	322.77	5.37	-51.45
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787360	0	32	-1.0	-50.74	282.37	3.64	-47.10
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787361	0	47	-1.0	-63.17	393.28	6.76	-56.41
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Br)=N1	REAL300010787362	0	29	-1.0	-57.29	276.19	2.67	-54.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010787363	0	31	-1.0	-54.49	290.10	4.07	-50.42
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787364	0	36	-1.0	-65.99	314.56	5.10	-60.89
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010787365	0	43	-1.0	-47.08	354.77	5.25	-41.83
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787366	0	39	-1.0	-47.75	326.00	6.82	-40.93
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787367	0	32	-1.0	-69.15	284.68	2.61	-66.54
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787368	0	32	-1.0	-57.80	299.20	6.56	-51.24
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787369	0	34	-1.0	-58.65	301.15	5.48	-53.17
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787370	0	38	-1.0	-62.10	321.33	2.43	-59.67
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010787371	0	51	-1.0	-57.99	408.32	8.82	-49.17
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010787372	0	32	-1.0	-49.13	287.99	5.00	-44.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010787373	0	40	-1.0	-64.18	337.65	5.45	-58.73
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010787374	0	33	-1.0	-57.30	304.00	6.69	-50.61
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300010787375	0	51	-1.0	-59.93	399.38	8.71	-51.22
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300010787376	0	45	-1.0	-58.20	369.90	7.51	-50.69
N#CCCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787377	0	36	-1.0	-50.76	312.51	6.00	-44.76
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787378	0	35	-1.0	-53.97	295.49	6.88	-47.09
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787379	0	43	-1.0	-76.94	350.53	4.73	-72.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010787380	0	32	-1.0	-60.04	310.34	6.79	-53.25
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010787381	0	32	-1.0	-60.42	301.22	6.38	-54.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010787382	0	39	-1.0	-65.75	337.14	6.97	-58.78
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787383	0	35	-1.0	-62.56	315.83	6.93	-55.63
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1F	REAL300010787384	0	33	-1.0	-67.00	301.94	5.15	-61.85
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787385	0	39	-1.0	-62.79	331.25	7.22	-55.57
CCOC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])N(C)N=C1	REAL300010787386	0	38	-1.0	-56.53	326.01	4.59	-51.94
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010787387	0	33	-1.0	-61.72	301.51	6.59	-55.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010787388	0	34	-1.0	-65.20	290.67	1.88	-63.32
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300010787389	0	33	-1.0	-67.18	290.92	0.48	-66.70
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010787390	0	41	-1.0	-58.54	361.05	6.63	-51.91
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787391	0	42	-1.0	-60.41	359.20	5.83	-54.58
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010787392	0	29	-1.0	-62.80	272.76	4.89	-57.91
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787393	0	34	-1.0	-65.57	306.38	3.78	-61.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010787394	0	35	-1.0	-61.63	307.89	6.52	-55.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787395	0	45	-1.0	-61.41	373.03	7.86	-53.55
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010787396	0	34	-1.0	-62.15	285.59	5.25	-56.90
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787397	0	49	-1.0	-70.06	381.99	7.44	-62.62
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787398	0	36	-1.0	-61.48	320.42	5.00	-56.48
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010787399	0	43	-1.0	-60.40	350.90	5.06	-55.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010787400	0	44	-1.0	-81.84	366.06	7.64	-74.20
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010787401	0	43	-1.0	-81.53	356.19	6.93	-74.60
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300010787402	0	44	-1.0	-47.09	377.65	7.92	-39.17
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010787403	0	39	-1.0	-47.35	318.11	4.60	-42.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010787404	0	41	-1.0	-58.71	340.38	7.59	-51.12
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787405	0	42	-1.0	-70.99	354.36	6.40	-64.59
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787406	0	39	-1.0	-57.35	324.50	5.06	-52.29
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=NN2C1	REAL300010787407	0	40	-1.0	-64.61	328.69	2.99	-61.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010787408	0	35	-1.0	-59.14	324.32	5.60	-53.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010787409	0	35	-1.0	-59.06	306.09	2.22	-56.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010787410	0	26	-1.0	-58.00	258.14	3.41	-54.59
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787411	0	33	-1.0	-53.30	301.25	4.54	-48.76
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010787412	0	33	-1.0	-58.64	293.59	4.27	-54.37
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010787413	0	54	-1.0	-57.91	429.82	9.60	-48.31
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010787414	0	45	-1.0	-51.86	350.20	5.89	-45.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787415	0	39	-1.0	-63.72	324.96	6.46	-57.26
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010787416	0	52	-1.0	-60.01	420.80	7.46	-52.55
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C2O1	REAL300010787417	0	37	-1.0	-65.38	309.42	5.68	-59.70
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787418	0	37	-1.0	-57.52	324.04	4.66	-52.86
N#CC1(C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300010787419	0	37	-1.0	-47.40	317.03	6.26	-41.14
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787420	0	33	-1.0	-47.65	283.25	4.68	-42.97
CC1=C(Br)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C)S1	REAL300010787421	0	32	-1.0	-47.56	291.47	5.29	-42.27
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010787422	0	32	-1.0	-45.95	292.22	6.04	-39.91
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=N1	REAL300010787423	0	34	-1.0	-62.69	306.30	3.84	-58.85
COC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Br	REAL300010787424	0	35	-1.0	-58.53	313.46	5.97	-52.56
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010787425	0	46	-1.0	-71.24	363.44	6.95	-64.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010787426	0	35	-1.0	-63.28	309.04	5.59	-57.69
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C21	REAL300010787427	0	43	-1.0	-71.12	354.94	6.62	-64.50
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787428	0	29	-1.0	-50.82	278.77	2.78	-48.04
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010787429	0	31	-1.0	-43.53	282.76	3.21	-40.32
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787430	0	34	-1.0	-69.22	296.60	4.54	-64.68
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010787431	0	33	-1.0	-58.62	305.95	5.42	-53.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010787432	0	32	-1.0	-62.67	296.35	3.77	-58.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010787433	0	32	-1.0	-50.51	287.24	5.53	-44.98
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300010787434	0	38	-1.0	-44.71	299.22	6.11	-38.60
COC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010787435	0	37	-1.0	-62.65	309.42	4.64	-58.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010787436	0	38	-1.0	-48.37	317.15	1.27	-47.10
N#CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010787437	0	30	-1.0	-57.57	295.88	5.89	-51.68
COC1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010787438	0	37	-1.0	-63.76	314.84	5.11	-58.65
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787439	0	32	-1.0	-48.84	309.65	4.25	-44.59
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010787440	0	26	-1.0	-45.36	272.13	4.39	-40.97
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300010787441	0	42	-1.0	-50.85	336.06	4.80	-46.05
N#CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010787442	0	33	-1.0	-52.65	295.72	5.72	-46.93
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787443	0	31	-2.0	-116.49	286.32	5.46	-111.03
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010787444	0	33	-1.0	-51.42	288.03	3.63	-47.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010787445	0	33	-1.0	-60.51	307.33	5.40	-55.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010787446	0	32	-1.0	-53.05	279.95	3.58	-49.47
CN1N=NC2=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=CC=C21	REAL300010787447	0	34	-1.0	-67.41	296.84	3.50	-63.91
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010787448	0	29	-2.0	-103.60	291.12	4.68	-98.92
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010787449	0	35	-1.0	-49.74	302.01	5.90	-43.84
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010787450	0	35	-1.0	-43.08	319.40	5.26	-37.82
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010787451	0	32	-1.0	-59.26	284.66	5.14	-54.12
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300010787452	0	39	-1.0	-51.12	320.66	4.31	-46.81
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787453	0	47	-1.0	-62.23	362.41	8.44	-53.79
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010787454	0	35	-1.0	-43.36	323.73	6.03	-37.33
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010787455	0	39	-1.0	-57.40	329.36	5.66	-51.74
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010787456	0	33	-1.0	-50.24	288.83	5.38	-44.86
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010787457	0	40	-1.0	-52.29	349.59	7.09	-45.20
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787458	0	42	-1.0	-56.85	338.59	2.45	-54.40
COC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010787459	0	38	-1.0	-75.08	320.80	6.01	-69.07
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787460	0	35	-1.0	-52.37	312.98	3.00	-49.37
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010787461	0	33	-1.0	-52.16	311.83	6.33	-45.83
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010787462	0	41	-1.0	-51.05	349.46	6.95	-44.10
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010787463	0	38	-1.0	-44.01	337.97	6.64	-37.37
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787464	0	38	-1.0	-55.70	297.11	4.64	-51.06
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010787465	0	38	-1.0	-57.60	319.88	4.73	-52.87
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010787466	0	34	-1.0	-55.42	306.29	4.81	-50.61
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010787467	0	32	-1.0	-42.20	293.93	5.12	-37.08
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010787468	0	29	-1.0	-63.89	282.52	4.89	-59.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010787469	0	29	-1.0	-57.17	287.11	5.11	-52.06
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787470	0	39	-1.0	-50.71	331.00	3.06	-47.65
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010787471	0	26	-1.0	-53.26	259.74	3.73	-49.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010787472	0	32	-1.0	-55.24	307.26	6.41	-48.83
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010787473	0	32	-1.0	-72.68	277.71	6.12	-66.56
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787474	0	40	-1.0	-48.85	333.41	6.08	-42.77
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010787475	0	40	-1.0	-61.16	325.47	7.70	-53.46
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787476	0	39	-1.0	-69.43	335.61	6.68	-62.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010787477	0	35	-1.0	-46.51	313.59	5.16	-41.35
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787478	0	34	-1.0	-62.04	309.31	5.54	-56.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010787479	0	36	-1.0	-68.29	309.30	3.31	-64.98
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787480	0	39	-1.0	-45.76	345.01	4.81	-40.95
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010787481	0	29	-1.0	-58.30	283.77	5.84	-52.46
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010787482	0	29	-1.0	-65.86	277.66	5.10	-60.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010787483	0	32	-1.0	-48.82	282.99	5.46	-43.36
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787484	0	35	-1.0	-45.18	317.02	4.49	-40.69
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010787485	0	36	-1.0	-59.16	307.12	7.00	-52.16
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010787486	0	31	-1.0	-44.32	306.39	4.41	-39.91
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010787487	0	39	-1.0	-47.75	314.67	4.63	-43.12
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787488	0	38	-1.0	-60.08	318.69	4.68	-55.40
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787489	0	38	-1.0	-50.82	320.02	1.56	-49.26
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787490	0	32	-1.0	-67.77	309.30	1.51	-66.26
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787491	0	38	-1.0	-50.82	320.02	1.56	-49.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010787492	0	32	-1.0	-68.97	285.35	6.03	-62.94
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787493	0	41	-1.0	-62.23	340.46	7.98	-54.25
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787494	0	43	-1.0	-59.08	327.18	5.61	-53.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010787495	0	29	-1.0	-51.62	278.12	4.05	-47.57
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787496	0	33	-1.0	-59.33	291.48	4.98	-54.35
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010787497	0	43	-1.0	-62.06	347.39	3.84	-58.22
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787498	0	35	-1.0	-45.48	302.03	5.58	-39.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010787499	0	33	-1.0	-47.84	288.20	3.63	-44.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010787500	0	44	-1.0	-60.11	350.87	7.64	-52.47
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010787501	0	40	-1.0	-60.01	318.69	6.59	-53.42
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010787502	0	37	-1.0	-57.56	311.33	5.07	-52.49
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787503	0	39	-1.0	-48.25	325.75	4.74	-43.51
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787504	0	38	-1.0	-63.49	327.38	6.96	-56.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010787505	0	32	-1.0	-47.32	307.66	6.10	-41.22
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787506	0	39	-1.0	-59.96	338.91	5.99	-53.97
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010787507	0	42	-1.0	-59.60	341.76	5.96	-53.64
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010787508	0	32	-1.0	-59.23	312.24	6.87	-52.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010787509	0	40	-1.0	-49.29	339.19	6.97	-42.32
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787510	0	41	-1.0	-65.48	344.27	7.74	-57.74
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300010787511	0	35	-1.0	-56.59	313.07	6.74	-49.85
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010787512	0	34	-1.0	-46.89	306.51	5.45	-41.44
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010787513	0	28	-1.0	-63.53	280.23	3.22	-60.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010787514	0	33	-1.0	-64.22	293.99	4.55	-59.67
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010787515	0	35	-1.0	-45.47	317.46	5.02	-40.45
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010787516	0	28	-1.0	-51.26	272.99	3.62	-47.64
N#CC1(OCCS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOCC1	REAL300010787517	0	41	-1.0	-64.58	339.13	2.77	-61.81
CCN1N=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010787518	0	32	-1.0	-57.16	293.24	3.80	-53.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010787519	0	33	-1.0	-61.58	305.53	6.68	-54.90
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC[C@H]1C(=O)[O-])=C2	REAL300010787520	0	35	-1.0	-46.67	337.10	5.40	-41.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010787521	0	29	-1.0	-45.04	276.59	4.92	-40.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010787522	0	31	-1.0	-51.92	293.46	4.16	-47.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010787523	0	34	-1.0	-52.77	305.02	5.16	-47.61
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010787524	0	34	-1.0	-50.97	300.34	4.84	-46.13
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010787525	0	31	-1.0	-51.92	293.46	4.16	-47.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010787526	0	32	-1.0	-47.32	307.66	6.10	-41.22
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010787527	0	38	-1.0	-64.34	308.19	7.60	-56.74
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787528	0	33	-1.0	-54.26	298.55	5.02	-49.24
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010787529	0	36	-1.0	-47.73	306.76	4.42	-43.31
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787530	0	43	-1.0	-59.62	359.94	6.50	-53.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010787531	0	29	-1.0	-52.80	279.91	5.45	-47.35
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300010787532	0	35	-1.0	-67.68	318.99	1.30	-66.38
CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010787533	0	39	-1.0	-60.24	327.18	6.16	-54.08
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010787534	0	35	-1.0	-60.65	326.59	2.41	-58.24
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010787535	0	33	-1.0	-57.32	308.56	6.79	-50.53
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010787536	0	33	-1.0	-50.34	307.84	6.06	-44.28
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010787537	0	34	-1.0	-69.45	299.41	-1.09	-70.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010787538	0	31	-1.0	-63.03	286.32	4.39	-58.64
CC1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010787539	0	38	-1.0	-58.31	332.19	3.99	-54.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010787540	0	46	-1.0	-63.71	332.03	7.90	-55.81
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787541	0	37	-1.0	-58.26	323.31	1.03	-57.23
CC1(C)CCC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])OC1	REAL300010787542	0	42	-1.0	-51.14	327.57	4.35	-46.79
CCOC(=O)C1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C2C=CC=CN21	REAL300010787543	0	41	-1.0	-73.04	358.49	6.42	-66.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010787544	0	33	-1.0	-70.74	304.19	4.00	-66.74
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=C2C=C1	REAL300010787545	0	38	-1.0	-66.01	341.06	6.69	-59.32
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010787546	0	39	-1.0	-45.78	334.83	7.07	-38.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010787547	0	38	-1.0	-56.46	307.96	1.61	-54.85
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787548	0	38	-1.0	-51.20	325.79	5.09	-46.11
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010787549	0	42	-1.0	-63.30	323.89	6.96	-56.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010787550	0	33	-1.0	-49.95	295.90	5.49	-44.46
COC(=O)C1CCCCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787551	0	40	-1.0	-50.55	308.25	4.71	-45.84
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010787552	0	51	-1.0	-60.17	385.12	9.17	-51.00
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787553	0	32	-1.0	-61.31	300.82	5.80	-55.51
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787554	0	40	-1.0	-59.40	331.51	5.99	-53.41
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=NN1	REAL300010787555	0	35	-1.0	-58.17	315.56	2.82	-55.35
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787555	1	34	-2.0	-107.70	314.15	2.36	-105.34
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=N[N-]1	REAL300010787555	1	34	-2.0	-107.75	314.25	2.37	-105.38
COC1=CSC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010787556	0	34	-1.0	-64.54	310.23	3.32	-61.22
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787557	0	32	-1.0	-48.85	305.58	4.14	-44.71
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010787558	0	41	-1.0	-59.17	315.74	5.46	-53.71
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787559	0	40	-1.0	-62.72	337.29	6.68	-56.04
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787560	0	33	-1.0	-47.81	297.45	5.25	-42.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010787561	0	33	-1.0	-58.82	299.42	5.90	-52.92
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010787562	0	33	-1.0	-49.88	284.78	3.60	-46.28
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010787563	0	33	-1.0	-62.19	300.84	4.64	-57.55
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787564	0	35	-1.0	-49.59	290.87	3.82	-45.77
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010787565	0	32	-1.0	-50.47	282.62	5.40	-45.07
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010787566	0	38	-1.0	-57.78	334.25	5.48	-52.30
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010787567	0	26	-1.0	-41.25	277.15	4.28	-36.97
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787568	0	42	-1.0	-61.32	348.60	7.37	-53.95
CC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010787569	0	46	-1.0	-48.26	367.21	5.95	-42.31
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010787570	0	32	-1.0	-51.19	301.41	5.25	-45.94
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010787571	0	34	-1.0	-43.92	301.51	4.72	-39.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(I)C=CS1	REAL300010787572	0	26	-1.0	-60.66	274.52	4.97	-55.69
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010787573	0	40	-1.0	-47.74	339.19	6.97	-40.77
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787574	0	35	-1.0	-58.83	288.98	5.82	-53.01
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787575	0	32	-1.0	-69.15	284.68	2.61	-66.54
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010787576	0	34	-1.0	-57.33	310.23	3.57	-53.76
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010787577	0	30	-1.0	-57.94	293.59	3.91	-54.03
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787578	0	31	-1.0	-58.51	276.72	3.95	-54.56
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787579	0	40	-1.0	-47.25	332.62	5.67	-41.58
CCN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300010787580	0	39	-1.0	-60.00	326.20	5.57	-54.43
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300010787581	0	33	-1.0	-62.77	290.48	3.77	-59.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010787582	0	35	-1.0	-58.00	317.99	7.78	-50.22
CC(=O)OC1CCN(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C1	REAL300010787583	0	37	-1.0	-60.75	315.15	4.19	-56.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010787584	0	39	-1.0	-58.16	346.30	8.93	-49.23
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C(Cl)S1	REAL300010787585	0	32	-1.0	-67.68	313.09	5.65	-62.03
CCC1=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010787586	0	35	-1.0	-55.90	314.40	6.87	-49.03
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787587	0	42	-1.0	-57.78	342.55	6.14	-51.64
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787588	0	43	-1.0	-66.47	356.97	5.38	-61.09
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010787589	0	35	-1.0	-60.30	307.60	7.59	-52.71
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787590	0	37	-1.0	-54.25	307.25	2.59	-51.66
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010787591	0	35	-1.0	-58.64	320.20	4.82	-53.82
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787592	0	43	-1.0	-71.57	368.32	5.28	-66.29
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010787593	0	44	-1.0	-47.32	350.69	4.43	-42.89
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787594	0	32	-1.0	-57.89	294.93	2.72	-55.17
COC1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010787595	0	35	-1.0	-55.68	302.70	2.41	-53.27
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300010787596	0	38	-1.0	-60.64	318.26	5.17	-55.47
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787597	0	38	-1.0	-59.46	315.45	4.26	-55.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010787598	0	28	-1.0	-55.08	284.81	2.68	-52.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010787599	0	39	-1.0	-59.87	312.01	2.27	-57.60
COCC1=CC(CS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=NO1	REAL300010787600	0	35	-1.0	-66.77	310.55	2.84	-63.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010787601	0	32	-1.0	-62.24	300.91	3.88	-58.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010787602	0	27	-1.0	-49.98	266.91	2.18	-47.80
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787603	0	33	-1.0	-61.32	300.10	2.23	-59.09
CC1=C(C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C(C)S1	REAL300010787604	0	35	-1.0	-59.03	297.46	6.02	-53.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(I)S1	REAL300010787605	0	26	-1.0	-45.36	272.13	4.39	-40.97
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787606	0	33	-1.0	-63.44	300.11	5.47	-57.97
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010787607	0	31	-1.0	-48.16	285.64	3.80	-44.36
COC1=NC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1Cl	REAL300010787608	0	32	-1.0	-54.48	289.14	2.06	-52.42
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787609	0	38	-1.0	-67.23	339.85	3.95	-63.28
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])S1	REAL300010787609	1	37	-2.0	-106.09	338.41	2.65	-103.44
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787610	0	36	-1.0	-60.49	313.92	2.83	-57.66
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010787611	0	33	-1.0	-58.77	318.23	7.10	-51.67
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010787612	0	34	-1.0	-59.59	300.87	6.97	-52.62
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010787613	0	28	-1.0	-48.53	271.47	3.52	-45.01
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])N=C1	REAL300010787614	0	40	-1.0	-59.21	327.75	5.40	-53.81
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010787615	0	37	-1.0	-61.31	305.64	6.01	-55.30
COC(=O)C1=NC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010787616	0	37	-1.0	-54.45	322.14	4.37	-50.08
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787617	0	32	-1.0	-54.27	289.27	6.15	-48.12
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010787618	0	36	-1.0	-51.56	296.71	4.76	-46.80
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010787619	0	31	-1.0	-59.86	285.44	4.02	-55.84
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300010787620	0	38	-1.0	-64.74	314.73	4.32	-60.42
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010787621	0	36	-1.0	-53.21	310.33	6.28	-46.93
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010787622	0	31	-1.0	-43.12	276.20	3.07	-40.05
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=C1NCCC2	REAL300010787623	0	41	-1.0	-51.77	317.04	4.72	-47.05
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300010787624	0	43	-1.0	-48.99	357.70	7.59	-41.40
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010787625	0	36	-1.0	-47.24	308.66	6.24	-41.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010787626	0	26	-1.0	-56.35	257.89	4.35	-52.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010787627	0	33	-1.0	-58.70	301.38	5.32	-53.38
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787628	0	31	-1.0	-58.60	281.33	4.04	-54.56
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010787629	0	34	-1.0	-60.83	290.81	4.91	-55.92
CC1=CC=C(I)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787630	0	32	-1.0	-61.20	290.92	6.59	-54.61
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787631	0	38	-1.0	-65.06	322.36	6.85	-58.21
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010787632	0	40	-1.0	-51.92	333.05	8.17	-43.75
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010787633	0	32	-1.0	-67.19	290.75	5.85	-61.34
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010787634	0	28	-1.0	-54.30	271.69	3.80	-50.50
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010787635	0	31	-1.0	-66.34	273.01	4.11	-62.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010787636	0	32	-1.0	-56.45	289.34	4.38	-52.07
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787637	0	37	-1.0	-65.16	314.58	0.69	-64.47
CC1=NC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010787638	0	31	-1.0	-62.14	293.04	3.92	-58.22
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010787639	0	28	-1.0	-58.34	281.02	4.34	-54.00
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010787640	0	33	-1.0	-64.37	303.26	4.28	-60.09
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010787641	0	33	-1.0	-50.58	303.27	5.96	-44.62
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787642	0	38	-1.0	-52.59	328.93	3.63	-48.96
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010787643	0	36	-1.0	-63.33	298.96	6.80	-56.53
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010787644	0	32	-1.0	-56.27	295.92	6.37	-49.90
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010787645	0	33	-1.0	-54.69	303.88	4.69	-50.00
COC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300010787646	0	36	-1.0	-64.04	309.50	5.47	-58.57
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010787647	0	42	-1.0	-58.69	359.30	6.61	-52.08
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C1	REAL300010787648	0	42	-1.0	-52.96	348.30	6.57	-46.39
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787649	0	35	-1.0	-57.81	317.13	3.21	-54.60
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787650	0	35	-1.0	-50.76	317.29	6.26	-44.50
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787651	0	34	-1.0	-50.43	287.58	3.31	-47.12
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787652	0	35	-1.0	-76.89	300.08	6.66	-70.23
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010787653	0	34	-1.0	-60.29	286.35	5.03	-55.26
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010787654	0	29	-1.0	-58.48	269.07	5.89	-52.59
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787655	0	35	-1.0	-68.86	301.23	3.97	-64.89
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010787656	0	40	-1.0	-50.88	345.41	5.05	-45.83
CC1=CC=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010787657	0	37	-1.0	-69.34	308.30	6.53	-62.81
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010787658	0	25	-1.0	-55.41	263.80	3.20	-52.21
NC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787659	0	31	-1.0	-59.61	291.76	3.49	-56.12
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300010787660	0	31	-1.0	-54.72	280.15	4.25	-50.47
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010787661	0	31	-1.0	-71.86	275.65	4.20	-67.66
CC1=C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C(Cl)S1	REAL300010787662	0	29	-1.0	-59.03	275.49	5.17	-53.86
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010787663	0	31	-1.0	-61.88	285.82	3.68	-58.20
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010787664	0	36	-1.0	-58.53	323.66	5.81	-52.72
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300010787665	0	42	-1.0	-54.65	340.64	6.29	-48.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010787666	0	33	-2.0	-115.05	303.82	4.77	-110.28
O=C([O-])[C@@H]1CCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010787666	1	34	-1.0	-49.17	297.57	3.42	-45.75
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300010787667	0	34	-1.0	-45.54	321.19	4.69	-40.85
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010787668	0	35	-1.0	-51.22	336.17	6.64	-44.58
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300010787669	0	35	-1.0	-55.40	324.20	6.42	-48.98
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300010787670	0	47	-1.0	-54.73	371.20	8.45	-46.28
COC(=O)CC1(CS(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300010787671	0	44	-1.0	-54.72	380.80	6.49	-48.23
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787672	0	41	-1.0	-63.61	344.94	7.06	-56.55
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787673	0	44	-1.0	-51.35	391.70	7.59	-43.76
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010787674	0	35	-1.0	-52.11	336.61	6.78	-45.33
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787675	0	41	-1.0	-62.22	370.63	6.73	-55.49
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787676	0	47	-1.0	-54.60	391.08	8.34	-46.26
CC(C)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787677	0	44	-1.0	-54.61	375.10	7.94	-46.67
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787678	0	47	-1.0	-54.73	393.80	8.58	-46.15
CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010787679	0	35	-1.0	-55.53	329.44	5.84	-49.69
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010787680	0	39	-1.0	-55.94	350.57	2.84	-53.10
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787681	0	45	-1.0	-57.39	397.04	5.04	-52.35
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010787682	0	37	-1.0	-47.31	349.97	6.99	-40.32
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010787683	0	35	-1.0	-57.10	335.22	7.20	-49.90
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300010787684	0	32	-1.0	-51.57	324.63	5.66	-45.91
CCCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787685	0	44	-1.0	-54.99	379.51	8.22	-46.77
COC1=CC=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787686	0	39	-1.0	-59.46	335.59	5.94	-53.52
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787687	0	46	-1.0	-53.75	398.11	4.73	-49.02
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010787688	0	35	-1.0	-44.40	334.13	6.26	-38.14
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010787688	1	34	-2.0	-126.96	326.60	6.53	-120.43
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010787689	0	35	-1.0	-49.40	348.61	7.01	-42.39
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC=C1Cl	REAL300010787690	0	35	-1.0	-55.70	322.02	6.33	-49.37
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010787691	0	34	-2.0	-145.81	315.11	6.68	-139.13
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010787691	1	35	-1.0	-61.19	321.92	6.26	-54.93
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010787692	0	34	-1.0	-51.20	326.81	4.64	-46.56
N#CC1=CC=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787693	0	36	-1.0	-51.95	335.61	6.41	-45.54
N#CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787694	0	36	-1.0	-51.77	335.92	6.38	-45.39
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010787695	0	35	-1.0	-50.57	333.61	6.49	-44.08
CC1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1Br	REAL300010787696	0	38	-1.0	-51.51	354.63	7.18	-44.33
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1NC(C)=O	REAL300010787697	0	46	-1.0	-69.35	400.00	4.31	-65.04
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010787698	0	39	-1.0	-51.11	360.82	5.81	-45.30
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300010787699	0	50	-1.0	-55.86	384.63	8.87	-46.99
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010787700	0	44	-1.0	-56.43	377.97	5.93	-50.50
CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010787701	0	40	-1.0	-61.30	359.32	7.18	-54.12
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(Br)S1	REAL300010787702	0	32	-1.0	-51.90	329.50	5.75	-46.15
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787703	0	53	-1.0	-54.46	417.79	10.00	-44.46
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010787704	0	51	-1.0	-54.31	416.70	9.83	-44.48
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010787705	0	38	-1.0	-50.36	353.82	7.00	-43.36
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010787706	0	45	-1.0	-55.31	377.64	8.51	-46.80
CCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787707	0	41	-1.0	-55.11	357.98	7.44	-47.67
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787708	0	43	-1.0	-62.67	363.00	5.15	-57.52
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300010787709	0	43	-1.0	-55.73	373.82	5.19	-50.54
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010787710	0	42	-1.0	-56.22	360.43	7.92	-48.30
CC1=NOC(C)=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787711	0	37	-1.0	-50.90	327.15	4.93	-45.97
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])S1	REAL300010787712	0	42	-1.0	-57.92	390.18	4.20	-53.72
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010787713	0	43	-1.0	-54.78	365.89	8.30	-46.48
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=CC=C1F	REAL300010787714	0	35	-1.0	-43.86	328.00	6.20	-37.66
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010787714	1	34	-2.0	-137.78	320.46	6.47	-131.31
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787715	0	45	-1.0	-57.28	380.12	5.54	-51.74
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010787716	0	32	-1.0	-49.96	330.34	5.96	-44.00
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010787716	1	31	-2.0	-126.17	329.45	6.57	-119.60
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787717	0	50	-1.0	-54.88	418.54	9.51	-45.37
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010787718	0	41	-1.0	-59.61	348.30	7.92	-51.69
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010787719	0	45	-1.0	-55.17	389.30	9.41	-45.76
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787720	0	38	-1.0	-57.40	329.59	6.64	-50.76
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787721	0	50	-1.0	-54.65	405.30	8.80	-45.85
CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300010787722	0	38	-1.0	-51.52	350.34	7.12	-44.40
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010787723	0	35	-1.0	-46.01	333.90	6.20	-39.81
CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C(F)=C1	REAL300010787724	0	38	-1.0	-55.93	338.55	6.64	-49.29
CC1=CC=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787725	0	38	-1.0	-56.76	323.45	6.61	-50.15
CC1=NC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CN1C	REAL300010787726	0	38	-1.0	-65.85	339.80	4.92	-60.93
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010787727	0	38	-1.0	-54.68	356.44	7.00	-47.68
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010787728	0	35	-1.0	-49.13	330.05	6.11	-43.02
O=C([O-])[C@@H](CC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010787728	1	34	-2.0	-126.99	326.77	6.52	-120.47
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300010787729	0	36	-1.0	-64.77	324.68	4.89	-59.88
CC1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300010787730	0	38	-1.0	-51.13	341.84	6.69	-44.44
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CN(C1CCCCC1)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787743	0	46	-1.0	-55.14	361.40	6.01	-49.13
CC1CCCCN1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787744	0	43	-1.0	-52.75	338.97	5.73	-47.02
CC(C)N(C)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787745	0	39	-1.0	-53.66	319.45	4.16	-49.50
CCCN(CCC)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787746	0	45	-1.0	-53.54	367.13	6.08	-47.46
CN(CCC#N)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787747	0	37	-1.0	-54.11	332.46	4.56	-49.55
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CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787771	0	43	-1.0	-61.17	368.05	8.08	-53.09
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787772	0	47	-1.0	-55.12	396.32	8.68	-46.44
COCCC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787773	0	45	-1.0	-54.92	391.68	6.51	-48.41
COCCN(CCOC)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787774	0	47	-1.0	-43.74	394.05	3.30	-40.44
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787775	0	38	-1.0	-56.19	339.61	7.11	-49.08
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787776	0	51	-1.0	-52.50	426.74	8.35	-44.15
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CC(C)COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787778	0	48	-1.0	-52.92	408.02	7.72	-45.20
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787779	0	45	-1.0	-52.71	387.68	7.05	-45.66
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300010787780	0	39	-1.0	-55.52	360.37	5.86	-49.66
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300010787781	0	42	-1.0	-55.31	364.67	6.03	-49.28
CC1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300010787782	0	48	-1.0	-54.70	404.47	7.59	-47.11
COC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300010787783	0	42	-1.0	-54.97	352.74	5.89	-49.08
COCCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787784	0	46	-1.0	-54.84	399.80	5.52	-49.32
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COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787788	0	41	-1.0	-61.22	360.13	7.48	-53.74
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COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787790	0	39	-1.0	-58.20	351.12	6.45	-51.75
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787790	1	38	-2.0	-136.91	344.26	6.66	-130.25
CC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787791	0	39	-1.0	-52.62	344.06	6.98	-45.64
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COC(=O)C1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300010787795	0	45	-1.0	-58.11	397.16	6.70	-51.41
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300010787796	0	44	-1.0	-53.13	385.65	7.20	-45.93
COC(=O)CCN(C)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787797	0	42	-1.0	-53.90	367.18	4.81	-49.09
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300010787798	0	45	-1.0	-57.74	370.63	1.07	-56.67
CN(C1CCOCC1)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787799	0	44	-1.0	-42.08	359.85	3.96	-38.12
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CCN1N=C(C)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300010787803	0	44	-1.0	-56.55	371.37	5.84	-50.71
CC(C)N1C=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300010787804	0	41	-1.0	-56.11	352.94	4.81	-51.30
CC(C)CN1C=NC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787805	0	44	-1.0	-60.42	377.38	7.29	-53.13
CC(C)N1C=NC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787806	0	41	-1.0	-63.78	356.80	6.24	-57.54
CC(C)C1=NC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300010787807	0	41	-1.0	-60.61	350.63	4.50	-56.11
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787808	0	47	-1.0	-56.97	355.58	8.12	-48.85
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COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1F	REAL300010787812	0	41	-1.0	-46.40	381.78	6.83	-39.57
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300010787813	0	39	-1.0	-61.53	359.38	4.35	-57.18
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COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787816	0	41	-1.0	-45.23	380.57	7.24	-37.99
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787817	0	44	-1.0	-66.75	384.18	4.14	-62.61
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COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])O1	REAL300010787823	0	38	-1.0	-53.92	355.57	4.87	-49.05
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COC1=CC(C)=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300010787833	0	46	-1.0	-57.75	382.10	5.80	-51.95
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COC(=O)CCCS(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787835	0	40	-1.0	-60.27	355.48	5.31	-54.96
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CC1=NC2=C(S(=O)(=O)N[C@H](CC3=CC=CC=C3)C(=O)[O-])C=CC=C2C=C1	REAL300010787846	0	43	-1.0	-64.08	364.51	6.93	-57.15
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CC1=CC=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1Br	REAL300010787848	0	38	-1.0	-55.71	340.58	6.99	-48.72
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CCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300010787855	0	48	-1.0	-58.22	398.85	8.17	-50.05
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CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787860	0	49	-1.0	-55.13	421.90	6.46	-48.67
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787861	0	51	-1.0	-52.82	430.92	8.58	-44.24
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COC(=O)C1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300010787863	0	41	-1.0	-53.75	374.44	6.66	-47.09
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787864	0	45	-1.0	-66.44	388.22	6.53	-59.91
COC(=O)C1=CSC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787865	0	38	-1.0	-52.09	363.72	5.69	-46.40
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787866	0	47	-1.0	-64.64	393.72	7.66	-56.98
COC(=O)C1=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=CC=C1C	REAL300010787867	0	44	-1.0	-51.67	385.58	7.20	-44.47
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787868	0	41	-1.0	-47.77	376.36	6.79	-40.98
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CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787874	0	38	-1.0	-53.19	341.99	7.09	-46.10
CC1(C)CC2=CC(S(=O)(=O)N[C@H](CC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300010787875	0	46	-1.0	-54.27	392.28	7.28	-46.99
COC(=O)C(C)CS(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787876	0	40	-1.0	-52.68	349.71	5.23	-47.45
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787877	0	44	-1.0	-64.65	397.26	4.41	-60.24
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CN(C1CCCC1)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787880	0	43	-1.0	-54.50	345.44	5.47	-49.03
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CC1=NOC(CS(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787882	0	37	-1.0	-54.45	335.67	4.86	-49.59
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COC(=O)CC1(CS(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300010787884	0	44	-1.0	-54.72	380.80	6.49	-48.23
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787885	0	40	-1.0	-58.10	360.97	5.55	-52.55
O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CN=CC(F)=C1	REAL300010787886	0	34	-1.0	-49.00	316.36	4.28	-44.72
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O=C([O-])[C@@H](CC1=CC=CC=C1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010787888	0	43	-1.0	-61.70	378.39	7.26	-54.44
CCOCCS(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787889	0	38	-1.0	-52.66	334.29	3.71	-48.95
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CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@H](CC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300010787892	0	45	-1.0	-57.30	395.35	6.91	-50.39
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CCOC1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300010787894	0	45	-1.0	-55.03	374.81	6.77	-48.26
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300010787895	0	43	-1.0	-62.31	391.76	2.17	-60.14
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COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787897	0	44	-1.0	-58.37	383.53	7.88	-50.49
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CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300010787902	0	46	-1.0	-40.83	390.43	7.84	-32.99
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COC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300010787914	0	41	-1.0	-51.43	369.59	6.68	-44.75
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CC(C)[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010789456	0	31	-1.0	-50.14	294.65	4.57	-45.57
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789457	0	33	-1.0	-59.33	285.41	4.99	-54.34
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789458	0	28	-1.0	-52.29	276.53	2.30	-49.99
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789458	1	27	-2.0	-122.95	266.87	2.64	-120.31
CC(C)[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010789459	0	41	-1.0	-68.01	327.72	4.43	-63.58
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789460	0	33	-1.0	-58.68	299.15	4.19	-54.49
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789461	0	35	-1.0	-52.13	317.63	3.39	-48.74
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300010789462	0	41	-1.0	-61.04	350.70	4.52	-56.52
CC(C)[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010789463	0	44	-1.0	-65.08	378.33	4.57	-60.51
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300010789464	0	38	-1.0	-48.70	334.09	1.25	-47.45
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010789465	0	43	-1.0	-55.52	351.85	4.87	-50.65
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010789466	0	31	-1.0	-56.94	283.54	4.21	-52.73
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010789466	1	30	-2.0	-137.14	276.63	4.69	-132.45
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Cl)=N1	REAL300010789467	0	33	-1.0	-52.40	300.81	2.81	-49.59
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789468	0	36	-1.0	-42.72	322.68	3.82	-38.90
CC(C)[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010789469	0	38	-1.0	-46.61	333.53	4.74	-41.87
CSC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789470	0	35	-1.0	-50.49	322.06	4.94	-45.55
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789471	0	33	-1.0	-49.86	311.75	3.89	-45.97
CC(C)[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010789472	0	41	-1.0	-66.15	350.45	-0.01	-66.16
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010789473	0	34	-1.0	-47.56	308.46	1.41	-46.15
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010789474	0	40	-1.0	-58.34	342.77	4.43	-53.91
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010789475	0	46	-1.0	-56.77	384.67	3.96	-52.81
CC(C)[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789476	0	30	-1.0	-55.18	289.03	3.21	-51.97
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789477	0	49	0.0	-85.89	387.10	4.66	-81.23
CC1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789478	0	37	-1.0	-56.69	317.89	4.86	-51.83
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789479	0	34	-1.0	-52.16	306.11	4.97	-47.19
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010789480	0	35	-1.0	-59.62	307.14	3.57	-56.05
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010789481	0	31	-1.0	-42.47	300.44	4.30	-38.17
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789482	0	39	-1.0	-62.49	319.12	4.03	-58.46
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1C	REAL300010789483	0	58	-1.0	-54.08	452.17	7.96	-46.12
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010789484	0	40	-1.0	-55.05	329.84	4.96	-50.09
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789485	0	45	-1.0	-46.13	395.66	4.71	-41.42
CC(C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010789486	0	32	-1.0	-39.99	302.05	4.50	-35.49
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010789487	0	34	-1.0	-53.27	317.57	2.63	-50.64
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010789488	0	46	-1.0	-68.89	369.52	4.00	-64.89
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010789489	0	37	-1.0	-53.06	334.68	6.32	-46.74
COC(=O)CCCCCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789490	0	42	-1.0	-61.92	350.53	4.33	-57.59
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010789491	0	36	-1.0	-50.80	315.30	2.64	-48.16
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789492	0	39	-1.0	-55.94	340.01	1.75	-54.19
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789494	0	34	-1.0	-49.93	328.66	5.07	-44.86
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789495	0	42	-1.0	-59.71	320.14	1.32	-58.39
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789496	0	36	-1.0	-56.19	328.53	5.27	-50.92
COC1=C(F)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789497	0	37	-1.0	-46.54	334.39	4.35	-42.19
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789498	0	41	-1.0	-50.19	363.56	2.90	-47.29
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789499	0	42	-1.0	-65.04	371.73	5.35	-59.69
COC1=CC=C(CCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789500	0	41	-1.0	-57.15	347.47	4.31	-52.84
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010789501	0	46	-1.0	-43.53	392.86	4.99	-38.54
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010789502	0	34	-1.0	-55.30	310.86	2.39	-52.91
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010789503	0	42	-1.0	-58.01	353.86	4.86	-53.15
CC1=CC=NC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C12	REAL300010789504	0	39	-1.0	-52.94	331.58	4.81	-48.13
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300010789505	0	39	-1.0	-54.36	350.88	3.37	-50.99
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010789506	0	34	-1.0	-55.72	299.07	4.33	-51.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010789507	0	34	-1.0	-41.91	317.87	4.67	-37.24
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789508	0	34	-1.0	-51.43	315.57	4.83	-46.60
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789509	0	35	-1.0	-58.44	304.76	4.59	-53.85
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010789510	0	38	-1.0	-55.77	347.12	3.18	-52.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010789511	0	42	-1.0	-63.28	338.37	2.89	-60.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010789512	0	43	-1.0	-56.03	359.86	3.47	-52.56
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010789513	0	37	-1.0	-52.34	351.38	1.65	-50.69
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010789514	0	39	-1.0	-50.68	340.47	4.78	-45.90
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789515	0	41	-1.0	-50.19	363.56	2.90	-47.29
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010789516	0	39	-1.0	-54.72	323.45	3.94	-50.78
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010789517	0	34	-1.0	-57.93	313.75	4.72	-53.21
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(OC)=C1	REAL300010789518	0	41	-1.0	-44.99	352.52	4.06	-40.93
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=CS1	REAL300010789519	0	37	-1.0	-58.46	328.76	4.78	-53.68
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1F	REAL300010789520	0	35	-1.0	-50.63	306.62	2.89	-47.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789521	0	42	-1.0	-61.45	361.91	3.71	-57.74
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789522	0	45	-1.0	-59.80	387.04	4.76	-55.04
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010789523	0	45	-1.0	-43.28	380.74	6.91	-36.37
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789524	0	39	-1.0	-61.20	340.87	5.65	-55.55
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010789525	0	31	-1.0	-39.84	315.25	4.76	-35.08
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010789525	1	30	-2.0	-126.10	307.68	5.02	-121.08
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010789526	0	43	0.0	-83.87	345.23	5.38	-78.49
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010789527	0	39	-1.0	-56.29	325.34	3.96	-52.33
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C2O1	REAL300010789528	0	46	-1.0	-53.48	396.50	6.22	-47.26
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789529	0	43	-1.0	-63.19	361.21	5.93	-57.26
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010789530	0	31	-1.0	-40.70	303.52	4.65	-36.05
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010789530	1	30	-2.0	-121.58	298.09	4.94	-116.64
CC1=C(Cl)SC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789531	0	31	-1.0	-51.85	302.54	3.79	-48.06
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010789532	0	37	-1.0	-53.81	314.48	4.01	-49.80
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789533	0	35	-1.0	-44.93	304.82	2.92	-42.01
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300010789534	0	39	-1.0	-58.35	326.57	6.55	-51.80
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010789535	0	37	-1.0	-55.26	331.92	5.30	-49.96
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789536	0	41	-1.0	-48.46	355.55	6.24	-42.22
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789537	0	34	-1.0	-51.21	309.14	4.80	-46.41
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010789538	0	36	-1.0	-52.94	308.71	3.81	-49.13
CC1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789539	0	37	-1.0	-60.32	321.26	4.95	-55.37
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789540	0	39	-1.0	-60.33	327.55	5.56	-54.77
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010789541	0	31	-1.0	-51.14	299.37	4.71	-46.43
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789542	0	33	-1.0	-49.47	313.00	5.64	-43.83
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789542	1	32	-2.0	-123.43	308.66	6.19	-117.24
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789543	0	41	-1.0	-48.46	355.55	6.24	-42.22
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010789544	0	30	-1.0	-47.07	285.35	2.11	-44.96
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010789545	0	31	-1.0	-51.43	308.97	4.60	-46.83
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010789546	0	42	-1.0	-51.82	364.11	3.24	-48.58
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010789547	0	30	-2.0	-129.43	283.97	4.19	-125.24
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789548	0	41	-1.0	-56.53	324.84	5.01	-51.52
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789549	0	37	-1.0	-56.09	332.13	4.21	-51.88
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789550	0	35	-1.0	-42.70	314.84	3.92	-38.78
CC(C)[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789551	0	32	-1.0	-55.72	295.95	2.24	-53.48
CC(C)[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010789552	0	44	-1.0	-57.89	356.15	6.73	-51.16
CC(C)[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010789553	0	42	-1.0	-56.26	352.67	4.26	-52.00
CC(C)[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010789554	0	48	-1.0	-55.71	363.46	9.89	-45.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010789555	0	45	-1.0	-54.47	363.58	5.65	-48.82
COC1=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789556	0	38	-1.0	-59.41	314.10	3.65	-55.76
COC(=O)C1=CN=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789557	0	36	-1.0	-55.07	316.85	2.32	-52.75
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010789558	0	32	-1.0	-48.22	311.41	4.42	-43.80
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789559	0	33	-1.0	-49.81	322.78	5.08	-44.73
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789559	1	32	-2.0	-119.33	314.35	5.52	-113.81
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789560	0	38	-1.0	-56.38	329.62	4.01	-52.37
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789561	0	37	-1.0	-51.52	339.33	3.75	-47.77
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010789562	0	38	-1.0	-55.09	315.68	3.27	-51.82
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010789563	0	39	-1.0	-42.97	340.35	3.29	-39.68
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010789564	0	35	-1.0	-53.39	312.33	3.12	-50.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010789565	0	34	-1.0	-47.01	315.25	4.58	-42.43
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789566	0	42	-1.0	-56.94	364.70	0.52	-56.42
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C2S1	REAL300010789567	0	43	-1.0	-52.69	382.10	6.49	-46.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010789568	0	37	-1.0	-67.70	322.46	2.74	-64.96
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010789569	0	36	-1.0	-59.72	323.68	-0.95	-60.67
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789570	0	37	-1.0	-46.03	333.89	4.36	-41.67
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789571	0	39	-1.0	-47.97	344.29	5.39	-42.58
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010789572	0	35	-1.0	-52.72	316.22	3.49	-49.23
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OCO2	REAL300010789573	0	37	-1.0	-56.43	310.97	3.01	-53.42
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010789574	0	37	-1.0	-51.58	335.09	4.65	-46.93
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789575	0	37	-1.0	-53.57	315.08	4.78	-48.79
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010789576	0	31	-1.0	-38.86	294.37	4.54	-34.32
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789577	0	37	-1.0	-47.45	302.94	5.22	-42.23
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010789578	0	31	-1.0	-52.25	301.86	4.75	-47.50
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OCC(=O)N2	REAL300010789579	0	41	-1.0	-47.12	352.58	0.64	-46.48
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010789580	0	32	-2.0	-122.22	312.37	5.15	-117.07
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010789580	1	33	-1.0	-48.72	317.97	4.75	-43.97
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010789581	0	33	-1.0	-37.03	316.05	4.67	-32.36
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010789581	1	32	-2.0	-116.02	308.65	5.02	-111.00
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010789582	0	31	-1.0	-49.59	294.09	4.73	-44.86
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010789582	1	30	-2.0	-119.82	292.49	5.25	-114.57
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010789583	0	32	-1.0	-56.43	298.12	1.91	-54.52
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010789584	0	31	-1.0	-51.92	297.40	4.21	-47.71
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1OC	REAL300010789585	0	41	-1.0	-54.67	354.87	4.25	-50.42
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010789586	0	31	-1.0	-48.87	301.20	4.77	-44.10
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010789587	0	34	-1.0	-57.66	307.22	4.70	-52.96
CC(=O)NC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789588	0	34	-1.0	-57.15	316.73	1.04	-56.11
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S1	REAL300010789588	1	33	-2.0	-97.65	310.04	-0.16	-97.81
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010789589	0	34	-1.0	-57.58	311.78	4.80	-52.78
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010789590	0	35	-1.0	-56.69	324.09	0.83	-55.86
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789591	0	40	-1.0	-60.80	333.21	5.84	-54.96
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789592	0	39	-1.0	-55.00	326.64	1.86	-53.14
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010789593	0	35	-1.0	-56.41	328.65	0.92	-55.49
CCOC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789594	0	38	-1.0	-53.82	318.22	3.70	-50.12
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010789595	0	42	-1.0	-59.53	347.47	4.71	-54.82
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010789596	0	35	-1.0	-48.77	324.20	4.63	-44.14
COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789597	0	40	-1.0	-57.43	336.69	2.10	-55.33
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789598	0	38	-1.0	-57.79	337.34	4.03	-53.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010789599	0	34	-1.0	-46.39	300.28	2.25	-44.14
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010789600	0	32	-1.0	-53.69	305.80	4.33	-49.36
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010789601	0	32	-1.0	-54.63	308.06	4.42	-50.21
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789602	0	37	-1.0	-50.62	321.45	5.41	-45.21
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789603	0	48	-1.0	-55.76	404.32	3.15	-52.61
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010789604	0	37	-1.0	-61.98	329.24	5.09	-56.89
COCCOCCOCCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789605	0	45	-1.0	-57.68	381.18	0.84	-56.84
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789606	0	41	-1.0	-66.86	357.01	0.82	-66.04
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010789607	0	30	-2.0	-131.52	288.46	4.70	-126.82
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010789607	1	31	-1.0	-53.24	289.81	4.27	-48.97
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2CC1	REAL300010789608	0	48	-1.0	-60.23	379.85	5.36	-54.87
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010789609	0	40	-1.0	-56.32	357.76	5.00	-51.32
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300010789610	0	41	-1.0	-50.70	364.68	5.25	-45.45
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789611	0	40	-1.0	-42.52	346.02	6.29	-36.23
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789612	0	40	-1.0	-42.15	341.84	6.00	-36.15
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789613	0	41	-1.0	-64.27	352.95	2.51	-61.76
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789614	0	45	-1.0	-54.67	387.67	4.44	-50.23
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010789615	0	31	-1.0	-41.00	292.07	4.14	-36.86
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010789615	1	30	-2.0	-134.12	288.32	4.46	-129.66
CC(C)[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010789616	0	44	-1.0	-59.84	373.49	5.08	-54.76
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010789617	0	40	-1.0	-49.67	365.90	5.58	-44.09
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010789617	1	39	-2.0	-127.01	360.74	5.92	-121.09
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010789618	0	33	-1.0	-50.72	311.63	5.18	-45.54
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010789618	1	32	-2.0	-128.47	313.65	5.69	-122.78
CC(C)[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010789619	0	40	-1.0	-66.67	328.53	0.61	-66.06
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789620	0	38	-2.0	-130.43	330.75	5.11	-125.32
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300010789621	0	42	-1.0	-55.50	365.01	3.27	-52.23
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010789622	0	43	-1.0	-53.90	371.00	5.69	-48.21
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789623	0	45	-1.0	-59.07	382.46	1.72	-57.35
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789624	0	42	-1.0	-59.50	351.39	3.02	-56.48
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789625	0	44	-1.0	-47.33	370.64	4.96	-42.37
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C	REAL300010789626	0	43	-1.0	-51.60	359.56	5.58	-46.02
CC(C)[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010789627	0	34	-1.0	-52.94	306.84	4.87	-48.07
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789628	0	43	-1.0	-60.40	371.66	5.90	-54.50
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789629	0	37	-1.0	-54.40	348.64	6.12	-48.28
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789629	1	36	-2.0	-133.41	333.98	6.58	-126.83
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789630	0	34	-1.0	-55.72	306.51	4.77	-50.95
CC(COC1CCCC1)CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789631	0	47	-1.0	-57.69	373.53	4.89	-52.80
CC1=C(CCS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)SC=N1	REAL300010789632	0	36	-1.0	-56.35	321.94	2.75	-53.60
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010789633	0	37	-1.0	-54.71	328.72	5.49	-49.22
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789634	0	40	-1.0	-44.55	351.96	5.19	-39.36
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010789635	0	41	-1.0	-57.79	345.12	6.93	-50.86
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789636	0	45	-1.0	-55.49	386.68	1.24	-54.25
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010789637	0	34	-1.0	-55.43	311.26	4.80	-50.63
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1C	REAL300010789638	0	43	-1.0	-52.87	369.65	4.69	-48.18
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010789639	0	37	-1.0	-62.23	343.34	1.45	-60.78
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010789640	0	35	-1.0	-58.73	318.74	4.46	-54.27
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010789641	0	34	-1.0	-52.66	301.02	4.40	-48.26
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789642	0	33	-1.0	-49.10	295.57	3.01	-46.09
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010789643	0	34	-1.0	-56.41	305.41	2.83	-53.58
CC1=NC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010789643	1	33	-2.0	-141.34	301.18	3.37	-137.97
CC(C)[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789644	0	32	-1.0	-52.19	296.27	2.38	-49.81
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789645	0	44	-1.0	-54.38	360.81	4.34	-50.04
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010789646	0	34	-2.0	-108.34	318.57	3.20	-105.14
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010789646	1	35	-1.0	-58.02	318.04	2.57	-55.45
CCOC(=O)CC1(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CC1	REAL300010789647	0	40	-1.0	-65.45	319.72	4.66	-60.79
CC(C)[C@@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010789648	0	48	-1.0	-61.08	415.69	3.94	-57.14
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010789649	0	32	-1.0	-38.44	314.26	4.51	-33.93
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010789649	1	31	-2.0	-121.81	308.87	4.76	-117.05
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789650	0	42	-1.0	-50.67	367.17	2.96	-47.71
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300010789651	0	46	-1.0	-52.46	385.77	6.36	-46.10
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789652	0	43	-1.0	-57.32	370.52	2.69	-54.63
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010789653	0	36	-1.0	-56.39	313.24	0.67	-55.72
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCCC1	REAL300010789654	0	43	-1.0	-62.00	341.41	4.54	-57.46
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010789655	0	30	-1.0	-46.99	298.92	2.63	-44.36
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789656	0	38	-1.0	-52.69	344.62	3.77	-48.92
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300010789657	0	37	-1.0	-49.74	321.31	4.98	-44.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010789658	0	42	-1.0	-52.18	372.93	6.81	-45.37
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789659	0	40	-1.0	-59.79	343.82	4.91	-54.88
CC(C)[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010789660	0	33	-1.0	-59.37	304.47	3.08	-56.29
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010789661	0	37	-1.0	-57.82	328.86	5.38	-52.44
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCC1	REAL300010789662	0	40	-1.0	-62.07	329.97	3.82	-58.25
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010789663	0	31	-1.0	-51.73	306.14	3.74	-47.99
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010789664	0	35	-1.0	-56.49	321.27	4.52	-51.97
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1I	REAL300010789665	0	34	-1.0	-51.62	312.88	5.07	-46.55
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789666	0	44	-1.0	-55.47	377.35	3.81	-51.66
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789667	0	47	-1.0	-55.02	399.22	4.74	-50.28
COC(=O)C1(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCCCC1	REAL300010789668	0	46	-1.0	-61.01	353.23	4.98	-56.03
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1C	REAL300010789669	0	39	-1.0	-49.63	333.18	2.82	-46.81
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010789670	0	35	-1.0	-50.44	322.62	3.41	-47.03
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789671	0	40	-1.0	-50.61	364.28	5.60	-45.01
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010789672	0	32	-1.0	-48.76	297.61	3.95	-44.81
CC(C)[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010789673	0	47	-1.0	-63.45	399.83	5.35	-58.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010789674	0	33	-1.0	-46.72	317.78	3.27	-43.45
CC(C)[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010789675	0	44	-1.0	-57.85	330.13	5.52	-52.33
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010789676	0	40	-1.0	-56.36	331.68	5.06	-51.30
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010789677	0	32	-1.0	-58.64	294.31	2.87	-55.77
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010789678	0	37	-1.0	-59.39	324.66	5.12	-54.27
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010789679	0	34	-1.0	-52.68	307.61	2.32	-50.36
CC(C)[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010789679	1	33	-2.0	-126.01	299.20	2.76	-123.25
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789680	0	33	-1.0	-49.56	308.58	5.53	-44.03
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789680	1	32	-2.0	-123.22	304.22	6.10	-117.12
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010789681	0	40	-1.0	-44.26	349.73	4.86	-39.40
CC1=CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C2N=C1Cl	REAL300010789682	0	39	-1.0	-53.64	347.35	4.90	-48.74
CC(C)[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010789683	0	40	-1.0	-53.55	324.20	4.69	-48.86
CC(C)[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010789684	0	41	-1.0	-55.38	346.68	4.22	-51.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300010789685	0	58	-1.0	-54.01	430.76	9.28	-44.73
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010789686	0	36	-1.0	-57.49	327.33	4.73	-52.76
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789687	0	43	-1.0	-59.91	373.14	5.82	-54.09
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789688	0	36	-1.0	-57.77	307.94	3.22	-54.55
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789689	0	38	-1.0	-51.89	335.45	3.78	-48.11
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCC2=C1	REAL300010789690	0	43	-1.0	-54.84	358.00	5.29	-49.55
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010789691	0	39	-1.0	-54.49	333.39	4.50	-49.99
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010789692	0	34	-1.0	-53.78	310.25	4.04	-49.74
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010789692	1	33	-2.0	-127.51	299.10	4.27	-123.24
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010789693	0	34	-1.0	-54.27	318.67	5.56	-48.71
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010789693	1	33	-2.0	-135.96	317.39	5.91	-130.05
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789694	0	45	-1.0	-50.94	387.51	1.97	-48.97
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789694	1	44	-2.0	-106.95	392.39	2.16	-104.79
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010789695	0	34	-1.0	-57.78	318.17	4.82	-52.96
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010789696	0	40	-1.0	-70.05	351.19	1.70	-68.35
CC1=CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300010789697	0	40	-1.0	-55.37	334.78	6.37	-49.00
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789698	0	40	-1.0	-55.10	351.31	5.50	-49.60
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010789699	0	46	-1.0	-59.49	394.43	4.10	-55.39
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789700	0	44	-1.0	-57.03	366.91	3.88	-53.15
CC(C)[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010789701	0	34	-1.0	-58.63	309.37	4.66	-53.97
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010789702	0	37	-1.0	-48.40	320.34	5.86	-42.54
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(CC)=C1	REAL300010789703	0	49	-1.0	-52.62	365.63	8.07	-44.55
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C12	REAL300010789704	0	50	-1.0	-51.68	414.34	4.30	-47.38
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010789705	0	38	-1.0	-55.56	326.89	3.27	-52.29
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010789706	0	33	-1.0	-50.31	315.02	3.38	-46.93
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789707	0	39	-1.0	-57.38	344.72	3.30	-54.08
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010789708	0	39	-1.0	-47.98	342.14	2.09	-45.89
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010789709	0	36	-1.0	-61.28	321.11	-1.57	-62.85
CC(C)[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010789710	0	42	-1.0	-69.96	345.95	0.63	-69.33
COC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010789711	0	35	-1.0	-50.98	313.04	3.29	-47.69
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010789712	0	34	-1.0	-41.03	303.25	1.10	-39.93
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789713	0	44	-1.0	-59.55	365.40	4.66	-54.89
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300010789714	0	40	-1.0	-51.53	332.22	6.37	-45.16
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010789715	0	35	-1.0	-44.16	318.06	3.74	-40.42
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010789716	0	35	-1.0	-42.44	324.52	4.20	-38.24
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789717	0	40	-1.0	-56.38	349.94	4.93	-51.45
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789718	0	44	-1.0	-58.68	362.01	4.92	-53.76
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789719	0	35	-1.0	-43.10	304.51	3.47	-39.63
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010789720	0	34	-1.0	-55.66	325.25	5.27	-50.39
CC(C)[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010789721	0	34	-1.0	-54.56	323.92	5.27	-49.29
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010789722	0	34	-1.0	-51.28	310.53	2.62	-48.66
CCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010789723	0	39	-1.0	-58.98	333.34	5.37	-53.61
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789724	0	47	-1.0	-58.73	372.51	5.63	-53.10
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010789725	0	38	-1.0	-55.83	342.27	5.84	-49.99
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010789726	0	38	-1.0	-62.14	333.41	5.33	-56.81
COC1=NC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789727	0	34	-1.0	-47.95	314.22	0.73	-47.22
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1	REAL300010789728	0	40	-1.0	-45.48	350.45	5.19	-40.29
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789729	0	40	-1.0	-51.73	361.39	5.10	-46.63
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010789730	0	34	-1.0	-56.52	313.20	4.74	-51.78
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010789731	0	34	-1.0	-50.44	302.33	4.57	-45.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010789732	0	37	-1.0	-64.73	314.93	4.45	-60.28
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)=N1	REAL300010789733	0	40	-1.0	-54.14	357.15	4.99	-49.15
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789734	0	37	-1.0	-45.48	345.03	4.75	-40.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789734	1	36	-2.0	-130.63	335.72	5.08	-125.55
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789735	0	40	-1.0	-58.87	349.30	4.84	-54.03
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789736	0	38	-1.0	-53.37	324.18	3.76	-49.61
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789737	0	37	-1.0	-56.36	330.34	5.33	-51.03
CC(C)[C@@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010789738	0	44	-1.0	-56.43	345.41	3.53	-52.90
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010789739	0	46	-1.0	-48.12	381.53	1.28	-46.84
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010789740	0	39	-1.0	-58.77	320.94	4.68	-54.09
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010789741	0	38	-1.0	-62.15	337.97	1.37	-60.78
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010789742	0	31	-1.0	-51.63	290.12	4.00	-47.63
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)SC(Br)=C1	REAL300010789743	0	31	-1.0	-52.48	303.46	4.13	-48.35
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010789744	0	40	-1.0	-49.47	327.23	3.89	-45.58
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789745	0	41	-1.0	-52.76	345.00	2.36	-50.40
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010789746	0	37	-1.0	-55.94	319.07	5.01	-50.93
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010789747	0	37	-1.0	-58.52	321.61	5.06	-53.46
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010789748	0	37	-1.0	-58.20	325.33	5.31	-52.89
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789749	0	35	-1.0	-40.16	324.95	4.08	-36.08
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)NCCC2	REAL300010789750	0	46	-1.0	-68.27	372.42	2.40	-65.87
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)S2)C1	REAL300010789751	0	42	-1.0	-58.72	358.88	4.03	-54.69
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)SC2=CC=C(C#N)C=C12	REAL300010789752	0	38	-1.0	-55.20	341.97	6.10	-49.10
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1CCOC1	REAL300010789753	0	42	-1.0	-55.08	337.78	1.26	-53.82
CC(C)[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010789754	0	34	-1.0	-54.57	317.66	4.88	-49.69
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010789755	0	35	-1.0	-42.18	322.15	0.99	-41.19
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010789755	1	34	-2.0	-120.69	316.81	1.37	-119.32
CC(C)[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010789756	0	34	-1.0	-55.29	314.43	4.77	-50.52
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010789757	0	31	-1.0	-49.17	305.54	4.57	-44.60
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789758	0	38	-1.0	-60.07	323.48	0.88	-59.19
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789759	0	56	-1.0	-52.49	447.86	8.37	-44.12
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789760	0	46	-1.0	-56.45	376.74	5.82	-50.63
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789761	0	41	-1.0	-42.74	362.59	5.75	-36.99
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010789762	0	31	-1.0	-51.35	294.54	4.11	-47.24
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789763	0	37	-1.0	-56.09	332.13	4.21	-51.88
COC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300010789764	0	45	-1.0	-56.62	379.09	6.58	-50.04
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010789765	0	45	-1.0	-51.87	384.34	6.82	-45.05
CC(C)[C@@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010789766	0	30	-1.0	-58.40	278.90	2.84	-55.56
CC(C)[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010789766	1	29	-2.0	-138.23	278.62	2.64	-135.59
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C2)=N1	REAL300010789767	0	43	-1.0	-60.26	362.64	3.44	-56.82
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1=CC=C(F)C=C1	REAL300010789768	0	41	-1.0	-57.76	350.63	4.14	-53.62
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010789769	0	43	-1.0	-56.22	356.76	4.97	-51.25
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)N(C)N=C1	REAL300010789770	0	37	-1.0	-57.52	317.21	2.49	-55.03
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Cl	REAL300010789771	0	39	-1.0	-52.40	348.76	2.37	-50.03
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=CC=C12	REAL300010789772	0	43	-1.0	-56.14	362.23	6.35	-49.79
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789773	0	42	-1.0	-58.27	351.57	2.56	-55.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789774	0	37	-1.0	-45.26	334.70	4.31	-40.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789774	1	36	-2.0	-130.81	327.32	4.65	-126.16
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(Cl)C=C21	REAL300010789775	0	42	-1.0	-58.80	362.67	5.17	-53.63
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789776	0	44	-1.0	-53.02	357.57	5.11	-47.91
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1CCCC1	REAL300010789777	0	44	-1.0	-54.05	346.70	3.78	-50.27
COC(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C1CCCCC1	REAL300010789778	0	47	-1.0	-53.21	361.38	4.32	-48.89
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010789779	0	34	-1.0	-51.49	307.49	3.01	-48.48
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010789780	0	50	-1.0	-54.03	398.99	6.49	-47.54
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010789781	0	34	-1.0	-64.48	317.56	3.32	-61.16
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789782	0	35	-1.0	-41.85	304.21	3.46	-38.39
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300010789783	0	39	-1.0	-50.20	331.50	5.79	-44.41
CC(C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010789784	0	38	-1.0	-51.31	312.12	3.19	-48.12
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010789785	0	44	-1.0	-51.13	374.59	5.89	-45.24
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300010789786	0	37	-1.0	-53.43	325.53	2.90	-50.53
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)O1	REAL300010789786	1	36	-2.0	-122.99	318.01	3.29	-119.70
CCC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300010789787	0	44	-1.0	-62.83	366.79	5.46	-57.37
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789788	0	37	-1.0	-59.30	334.56	5.53	-53.77
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C1	REAL300010789789	0	42	-1.0	-62.76	355.92	4.09	-58.67
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010789790	0	34	-1.0	-47.14	308.17	2.17	-44.97
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010789791	0	42	-1.0	-56.58	367.46	7.56	-49.02
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789792	0	34	-1.0	-51.78	310.56	4.97	-46.81
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010789793	0	41	-1.0	-58.32	334.16	6.93	-51.39
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300010789794	0	51	-1.0	-53.17	426.29	8.42	-44.75
CC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789795	0	37	-1.0	-56.86	332.68	5.48	-51.38
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789796	0	38	-1.0	-58.92	335.34	4.14	-54.78
CC(C)[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010789797	0	37	-1.0	-58.95	328.60	5.07	-53.88
CC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(F)=C1F	REAL300010789798	0	34	-1.0	-46.18	297.98	4.29	-41.89
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010789799	0	30	-1.0	-45.02	290.33	2.22	-42.80
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010789799	1	29	-2.0	-124.12	284.90	2.47	-121.65
CC(C)OC1=CN=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789800	0	40	-1.0	-49.86	332.11	2.49	-47.37
CC(C)[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010789801	0	37	-1.0	-60.32	331.78	2.06	-58.26
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010789802	0	38	-1.0	-59.46	346.45	2.82	-56.64
COC(=O)C1=C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)OC=C1	REAL300010789803	0	33	-2.0	-140.72	298.23	3.10	-137.62
COC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)OC=C1	REAL300010789803	1	34	-1.0	-61.63	304.08	2.55	-59.08
CCC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300010789804	0	44	-1.0	-55.37	354.73	5.09	-50.28
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010789805	0	37	-1.0	-50.19	338.74	5.32	-44.87
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789806	0	39	-1.0	-60.98	335.48	4.52	-56.46
CC(C)[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789807	0	32	-2.0	-147.92	290.85	2.58	-145.34
CC(C)[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010789807	1	33	-1.0	-65.30	295.52	2.40	-62.90
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789808	0	34	-1.0	-51.62	319.68	5.37	-46.25
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300010789809	0	40	-1.0	-59.43	320.98	6.59	-52.84
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010789810	0	38	-1.0	-51.33	339.92	3.58	-47.75
CC1=CC2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C2NC1=O	REAL300010789811	0	40	-1.0	-53.94	337.89	3.19	-50.75
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010789812	0	36	-1.0	-59.50	316.66	1.99	-57.51
CC1=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)S1	REAL300010789813	0	40	-1.0	-52.93	353.81	4.92	-48.01
CC(C)[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010789814	0	31	-1.0	-51.13	285.57	1.11	-50.02
CC(C)[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010789814	1	30	-2.0	-124.77	281.75	1.42	-123.35
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(F)C=C1[N+](=O)[O-]	REAL300010789815	0	36	-1.0	-47.67	320.78	4.84	-42.83
CC(C)[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010789816	0	37	-1.0	-56.31	323.93	4.68	-51.63
CC(C)[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010789817	0	48	0.0	-80.19	372.59	2.75	-77.44
CC(C)[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010789817	1	47	-1.0	-57.22	366.28	0.29	-56.93
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010789818	0	31	-1.0	-52.35	292.30	1.63	-50.72
CC(C)[C@@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010789819	0	31	-1.0	-52.02	297.81	2.06	-49.96
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789820	0	35	-1.0	-51.04	304.00	4.61	-46.43
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=N1	REAL300010789821	0	40	-1.0	-51.80	336.74	1.96	-49.84
CCCCN1C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=N1	REAL300010789822	0	43	-1.0	-53.07	358.32	4.18	-48.89
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(OC)C=C1F	REAL300010789823	0	41	-1.0	-43.66	353.25	4.05	-39.61
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789824	0	41	-1.0	-62.09	340.73	4.21	-57.88
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789825	0	35	-1.0	-51.98	305.78	3.72	-48.26
CCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010789826	0	47	-1.0	-53.81	380.88	5.77	-48.04
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010789827	0	43	-1.0	-54.75	351.06	5.82	-48.93
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010789828	0	32	-1.0	-51.93	300.05	3.97	-47.96
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010789829	0	34	-1.0	-55.92	314.41	4.77	-51.15
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010789830	0	50	-1.0	-57.54	398.30	8.03	-49.51
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789831	0	36	-1.0	-58.65	336.66	3.72	-54.93
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010789832	0	28	-1.0	-58.79	266.80	1.64	-57.15
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010789832	1	27	-2.0	-133.02	262.27	1.79	-131.23
CC(C)[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010789833	0	39	-1.0	-56.83	336.01	4.29	-52.54
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010789834	0	30	-1.0	-40.91	298.67	2.82	-38.09
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010789834	1	29	-2.0	-120.68	285.59	3.12	-117.56
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010789835	0	30	-1.0	-44.97	285.73	2.15	-42.82
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010789835	1	29	-2.0	-123.79	280.30	2.41	-121.38
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789836	0	34	-1.0	-52.47	320.11	1.40	-51.07
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010789837	0	36	-1.0	-53.92	328.28	4.39	-49.53
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010789838	0	33	-1.0	-50.81	307.26	3.32	-47.49
CC(C)[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010789839	0	41	-1.0	-45.57	359.77	4.33	-41.24
CC(C)[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010789840	0	34	-1.0	-51.94	312.52	4.35	-47.59
CC(C)[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010789841	0	30	-1.0	-58.21	295.64	1.80	-56.41
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010789842	0	33	-1.0	-53.36	326.41	3.63	-49.73
CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789843	0	37	-1.0	-75.89	313.47	1.09	-74.80
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C([N+](=O)[O-])S1	REAL300010789844	0	33	-1.0	-54.55	302.63	4.78	-49.77
CC(C)[C@@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010789845	0	39	-1.0	-46.18	321.77	2.85	-43.33
CCOC(=O)C1(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)CCC1	REAL300010789846	0	40	-1.0	-52.57	329.24	4.14	-48.43
CC(C)[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010789847	0	42	-1.0	-62.78	351.50	0.11	-62.67
CC(C)[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010789848	0	32	-1.0	-48.55	312.63	2.60	-45.95
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789849	0	40	-1.0	-58.94	351.27	4.89	-54.05
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010789850	0	33	-2.0	-135.03	314.07	4.80	-130.23
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010789850	1	34	-1.0	-55.16	316.35	4.65	-50.51
CC(C)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010789851	0	34	-1.0	-50.98	300.23	2.27	-48.71
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010789851	1	33	-2.0	-125.55	296.06	2.45	-123.10
CC(C)[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010789852	0	41	-1.0	-51.06	330.19	3.54	-47.52
CC(C)[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010789853	0	28	-1.0	-51.07	277.49	3.09	-47.98
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010789854	0	43	-1.0	-56.25	332.50	3.50	-52.75
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010789855	0	41	-1.0	-53.54	339.16	3.88	-49.66
CC(C)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010789856	0	34	-1.0	-45.14	298.16	2.32	-42.82
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010789857	0	31	-1.0	-46.29	293.42	1.75	-44.54
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010789858	0	33	-1.0	-53.45	300.92	2.82	-50.63
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789859	0	38	-1.0	-58.04	329.12	3.68	-54.36
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010789860	0	45	-1.0	-54.33	376.85	4.72	-49.61
C=CCCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789861	0	41	-1.0	-53.94	344.73	6.23	-47.71
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789862	0	34	-1.0	-65.40	297.96	1.19	-64.21
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789862	1	33	-2.0	-147.24	292.83	1.23	-146.01
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789863	0	34	-1.0	-51.45	319.68	5.37	-46.08
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789864	0	36	-1.0	-60.76	312.53	3.91	-56.85
CC(C)[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010789865	0	40	-1.0	-74.95	332.64	1.54	-73.41
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010789866	0	53	-1.0	-52.47	420.48	7.28	-45.19
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010789867	0	34	-1.0	-55.51	312.03	4.49	-51.02
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010789868	0	42	-1.0	-43.92	357.40	4.20	-39.72
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010789869	0	35	-1.0	-53.59	322.71	5.26	-48.33
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300010789870	0	53	-1.0	-54.75	416.85	7.24	-47.51
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1CC	REAL300010789871	0	47	-1.0	-53.82	382.07	5.96	-47.86
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010789872	0	38	-1.0	-58.86	334.66	5.48	-53.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789873	0	37	-1.0	-47.52	313.28	5.65	-41.87
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789874	0	45	-1.0	-53.71	370.28	3.29	-50.42
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010789875	0	34	-1.0	-54.80	322.03	5.20	-49.60
CC(C)[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010789876	0	34	-1.0	-55.22	312.91	4.80	-50.42
CC(C)[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010789877	0	41	-1.0	-62.19	352.93	5.44	-56.75
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789878	0	37	-1.0	-55.35	326.78	5.42	-49.93
CC1=CN=C(Cl)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789879	0	33	-1.0	-45.51	303.39	2.98	-42.53
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789880	0	35	-1.0	-56.53	317.64	3.66	-52.87
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1F	REAL300010789880	1	34	-2.0	-135.68	311.87	4.00	-131.68
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789881	0	41	-1.0	-55.89	341.31	5.79	-50.10
CCOC(=O)C1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)N(C)N=C1	REAL300010789882	0	40	-1.0	-57.80	339.08	3.41	-54.39
CC(C)[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010789883	0	35	-1.0	-54.17	314.24	5.13	-49.04
CC(C)[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010789884	0	36	-1.0	-58.28	302.21	0.57	-57.71
CC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C(C(N)=O)O1	REAL300010789885	0	35	-1.0	-60.24	309.98	-0.95	-61.19
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010789886	0	43	-1.0	-57.76	372.52	5.11	-52.65
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789887	0	44	-1.0	-58.15	370.08	4.26	-53.89
CC(C)[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010789888	0	40	-1.0	-62.04	329.51	4.16	-57.88
CC(C)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010789889	0	31	-1.0	-51.05	282.40	3.70	-47.35
COC(=O)C1=CC=NC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789890	0	36	-1.0	-58.27	319.05	2.30	-55.97
CC(C)[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010789891	0	37	-1.0	-54.92	322.46	5.10	-49.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789892	0	47	-1.0	-55.98	383.36	6.28	-49.70
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010789893	0	36	-1.0	-56.66	304.27	4.07	-52.59
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C21	REAL300010789894	0	51	-1.0	-61.30	399.79	6.01	-55.29
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789895	0	38	-1.0	-60.46	328.57	3.70	-56.76
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010789896	0	45	-1.0	-54.08	366.51	3.60	-50.48
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010789897	0	46	-1.0	-65.24	377.54	6.13	-59.11
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C21	REAL300010789898	0	45	-1.0	-74.53	371.73	5.45	-69.08
CC(C)[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010789899	0	38	-2.0	-100.60	309.24	2.91	-97.69
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300010789900	0	46	-1.0	-51.83	395.73	7.33	-44.50
CC(C)[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010789901	0	38	-1.0	-55.02	318.26	3.14	-51.88
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010789902	0	38	-1.0	-49.90	317.01	3.25	-46.65
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010789903	0	41	-1.0	-49.29	336.58	4.09	-45.20
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010789904	0	43	-1.0	-53.67	361.81	6.35	-47.32
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789905	0	44	-1.0	-49.19	378.44	5.00	-44.19
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789906	0	41	-1.0	-59.07	342.71	4.21	-54.86
CC(C)[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010789907	0	42	-1.0	-58.38	336.92	1.60	-56.78
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010789908	0	37	-1.0	-53.64	340.65	4.48	-49.16
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010789909	0	37	-1.0	-53.58	318.24	0.68	-52.90
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010789910	0	27	-2.0	-129.72	267.85	2.55	-127.17
CC(C)[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010789910	1	28	-1.0	-53.31	270.55	2.22	-51.09
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300010789911	0	38	-1.0	-54.57	305.49	3.14	-51.43
COC1=C(F)C=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789912	0	35	-1.0	-49.02	313.43	2.99	-46.03
COC1=CC(F)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1F	REAL300010789913	0	35	-1.0	-52.71	312.47	2.98	-49.73
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010789914	0	56	-1.0	-51.79	445.37	8.13	-43.66
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C	REAL300010789915	0	47	-1.0	-57.57	363.60	5.05	-52.52
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789916	0	41	-1.0	-57.56	343.44	4.92	-52.64
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010789917	0	54	-1.0	-56.71	438.28	6.01	-50.70
CC(C)[C@@H](NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300010789918	0	39	-1.0	-59.27	330.82	4.19	-55.08
CC(C)[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010789919	0	39	-1.0	-52.06	342.47	3.23	-48.83
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010789920	0	39	-1.0	-56.62	341.11	5.75	-50.87
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789921	0	35	-1.0	-55.14	306.00	4.14	-51.00
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C	REAL300010789921	1	34	-2.0	-134.69	298.91	4.57	-130.12
CC1=C(Br)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C(C)S1	REAL300010789922	0	34	-1.0	-53.80	308.54	4.78	-49.02
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(Br)=C1	REAL300010789923	0	34	-1.0	-53.77	311.94	5.42	-48.35
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=N1	REAL300010789924	0	36	-1.0	-50.53	321.96	2.37	-48.16
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1Br	REAL300010789925	0	37	-1.0	-55.18	336.45	4.69	-50.49
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C21	REAL300010789926	0	48	-1.0	-72.58	381.49	5.57	-67.01
CC(C)[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010789927	0	37	-1.0	-57.51	321.08	4.04	-53.47
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C21	REAL300010789928	0	45	-1.0	-64.89	367.08	5.08	-59.81
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010789929	0	31	-1.0	-45.49	286.19	1.46	-44.03
CC(C)[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789930	0	33	-1.0	-48.28	300.81	2.61	-45.67
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789931	0	36	-1.0	-64.13	313.49	3.10	-61.03
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010789932	0	35	-1.0	-53.37	323.71	4.05	-49.32
CC(C)[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010789933	0	34	-1.0	-65.10	313.00	3.22	-61.88
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010789934	0	34	-1.0	-55.46	310.37	4.99	-50.47
CC(C)[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010789935	0	38	-1.0	-48.61	321.45	3.21	-45.40
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C(C)=C1F	REAL300010789936	0	40	-1.0	-50.26	319.06	5.65	-44.61
COC1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300010789937	0	39	-1.0	-55.01	325.81	3.37	-51.64
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010789938	0	40	-1.0	-64.25	335.86	0.66	-63.59
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010789939	0	32	-1.0	-53.03	308.02	4.33	-48.70
COC1=CC=C(F)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1OC	REAL300010789940	0	39	-1.0	-58.76	324.87	3.75	-55.01
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789941	0	33	-2.0	-118.46	319.19	3.30	-115.16
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789941	1	34	-1.0	-50.44	330.78	2.95	-47.49
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010789942	0	28	-1.0	-50.98	287.75	3.69	-47.29
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010789943	0	44	-1.0	-53.11	354.99	4.45	-48.66
CC(C)[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010789944	0	35	-1.0	-55.06	316.52	5.31	-49.75
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010789945	0	38	-1.0	-54.56	328.75	3.32	-51.24
CC(C)[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010789946	0	33	-2.0	-102.57	303.74	4.18	-98.39
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010789947	0	35	-1.0	-55.35	306.11	3.05	-52.30
CC(C)[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010789948	0	35	-1.0	-55.72	328.47	4.13	-51.59
CC(C)[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010789949	0	34	-1.0	-59.56	300.87	2.70	-56.86
CC(C)[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010789949	1	33	-2.0	-139.99	290.00	2.96	-137.03
CC(C)[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010789950	0	36	-1.0	-53.71	310.40	1.86	-51.85
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010789951	0	31	-2.0	-105.99	307.26	3.19	-102.80
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1Br	REAL300010789952	0	37	-1.0	-55.64	323.73	5.47	-50.17
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010789953	0	37	-1.0	-49.78	336.28	4.64	-45.14
CC(C)[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010789954	0	34	-1.0	-52.92	301.77	3.90	-49.02
CC(C)[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010789955	0	41	-1.0	-54.09	341.85	3.87	-50.22
CC(C)[C@@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010789956	0	39	-1.0	-52.74	328.99	3.55	-49.19
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789957	0	49	-1.0	-57.43	381.17	7.40	-50.03
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010789958	0	37	-1.0	-54.48	342.13	5.40	-49.08
CC(C)[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010789959	0	41	-1.0	-51.62	341.56	4.12	-47.50
CC(C)[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010789960	0	35	-1.0	-57.00	299.46	4.33	-52.67
CC(C)[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010789961	0	42	-1.0	-56.93	369.38	6.42	-50.51
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010789962	0	44	-1.0	-61.18	362.64	1.94	-59.24
COC1=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010789963	0	40	-1.0	-71.64	330.48	4.87	-66.77
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789964	0	37	-1.0	-47.01	319.71	1.71	-45.30
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010789965	0	32	-1.0	-55.45	293.21	3.86	-51.59
CC(C)[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010789966	0	38	-1.0	-51.70	311.20	2.97	-48.73
CC(C)[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010789967	0	35	-1.0	-48.54	329.31	4.88	-43.66
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2C=C1	REAL300010789968	0	43	-1.0	-56.29	373.47	6.45	-49.84
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010789969	0	40	-1.0	-58.62	361.88	6.12	-52.50
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010789970	0	40	-1.0	-49.19	312.18	3.20	-45.99
CC(C)[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010789971	0	40	-1.0	-51.91	332.07	3.19	-48.72
CC(C)[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010789972	0	38	-1.0	-52.95	319.24	2.53	-50.42
CC1=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300010789973	0	36	-1.0	-47.02	321.65	3.29	-43.73
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789974	0	34	-1.0	-48.80	316.42	4.60	-44.20
CC(C)[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010789975	0	31	-1.0	-52.19	289.73	3.99	-48.20
CC(C)[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010789976	0	31	-1.0	-48.81	304.83	3.66	-45.15
CC(C)[C@@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010789977	0	36	-1.0	-50.80	289.80	2.44	-48.36
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789978	0	41	-1.0	-56.79	348.77	2.49	-54.30
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789979	0	28	-1.0	-52.29	276.53	2.30	-49.99
CC(C)[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010789979	1	27	-2.0	-122.95	266.87	2.64	-120.31
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010789980	0	34	-1.0	-47.82	324.74	4.97	-42.85
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010789981	0	34	-1.0	-60.83	287.46	4.96	-55.87
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789982	0	42	-1.0	-59.02	352.10	5.47	-53.55
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010789983	0	42	-1.0	-56.65	342.75	6.66	-49.99
CC(C)[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010789984	0	41	-1.0	-64.37	347.75	5.12	-59.25
CC(C)[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010789985	0	37	-1.0	-51.66	330.53	4.54	-47.12
CC(C)[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010789986	0	36	-1.0	-43.18	327.12	4.04	-39.14
CC(C)[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010789987	0	38	-1.0	-63.05	320.46	1.80	-61.25
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789988	0	41	-1.0	-51.74	369.03	4.32	-47.42
CC(C)[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010789989	0	31	-1.0	-40.15	302.60	4.73	-35.42
CC(C)[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010789990	0	31	-1.0	-52.20	287.40	3.90	-48.30
CC(C)[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010789991	0	34	-1.0	-55.93	296.82	4.33	-51.60
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)=C1	REAL300010789992	0	37	-1.0	-50.55	336.58	3.87	-46.68
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010789993	0	38	-1.0	-44.81	324.56	5.74	-39.07
CC(C)[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010789994	0	33	-1.0	-49.90	322.47	3.70	-46.20
CC(C)[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010789995	0	41	-1.0	-49.42	328.35	3.92	-45.50
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C	REAL300010789996	0	40	-1.0	-50.19	328.22	3.37	-46.82
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789997	0	40	-1.0	-58.63	338.07	0.99	-57.64
CC(C)[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010789998	0	34	-1.0	-58.81	321.54	0.00	-58.81
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300010789999	0	40	-1.0	-58.63	338.07	0.99	-57.64
CC(C)[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790000	0	34	-1.0	-59.65	288.83	4.35	-55.30
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790667	0	31	-1.0	-49.17	311.08	4.55	-44.62
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790668	0	34	-1.0	-46.95	318.72	3.84	-43.11
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790669	0	38	-1.0	-49.95	346.45	2.30	-47.65
CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790670	0	39	-1.0	-57.69	354.22	4.84	-52.85
CC[C@@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010790671	0	38	-1.0	-56.72	330.13	3.78	-52.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010790672	0	46	-1.0	-58.59	397.32	5.69	-52.90
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010790673	0	43	-1.0	-44.94	379.28	4.46	-40.48
CC[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010790674	0	39	-1.0	-57.28	336.28	4.35	-52.93
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010790675	0	36	-1.0	-51.54	311.11	4.22	-47.32
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010790676	0	36	-1.0	-43.70	332.19	2.84	-40.86
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010790677	0	31	-1.0	-40.71	298.42	4.09	-36.62
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010790678	0	31	-1.0	-50.71	297.99	4.29	-46.42
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010790679	0	35	-1.0	-54.91	329.28	2.66	-52.25
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010790680	0	39	-1.0	-66.16	327.75	2.96	-63.20
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010790681	0	40	-1.0	-56.08	342.35	3.11	-52.97
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010790682	0	34	-1.0	-52.85	335.96	1.12	-51.73
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010790683	0	28	-1.0	-40.15	304.03	4.66	-35.49
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010790683	1	27	-2.0	-121.92	296.46	4.93	-116.99
CC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010790684	0	36	-1.0	-51.25	325.04	4.26	-46.99
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010790685	0	38	-1.0	-49.95	346.45	2.30	-47.65
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010790686	0	38	-1.0	-54.32	338.31	3.57	-50.75
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010790687	0	34	-1.0	-57.63	311.37	4.29	-53.34
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010790688	0	39	-1.0	-61.11	345.74	3.19	-57.92
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010790689	0	42	-1.0	-46.65	370.54	4.32	-42.33
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010790690	0	42	-1.0	-44.76	371.38	6.42	-38.34
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790691	0	36	-1.0	-61.33	324.13	5.06	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010790692	0	28	-1.0	-38.78	295.78	4.17	-34.61
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010790692	1	27	-2.0	-123.04	288.42	4.54	-118.50
CC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010790693	0	40	0.0	-84.45	333.86	4.90	-79.55
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2O1	REAL300010790694	0	43	-1.0	-53.00	379.18	5.67	-47.33
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790695	0	40	-1.0	-62.36	344.23	5.39	-56.97
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010790696	0	28	-1.0	-40.77	291.49	4.18	-36.59
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010790696	1	27	-2.0	-121.21	283.92	4.46	-116.75
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790697	0	36	-1.0	-58.35	311.14	6.05	-52.30
CC[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010790698	0	34	-1.0	-55.34	316.28	4.80	-50.54
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010790699	0	38	-1.0	-48.06	337.89	5.77	-42.29
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010790700	0	31	-1.0	-51.73	293.81	4.30	-47.43
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010790701	0	36	-1.0	-60.25	312.04	5.01	-55.24
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010790702	0	28	-1.0	-51.38	284.19	4.12	-47.26
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010790703	0	38	-1.0	-48.06	337.89	5.77	-42.29
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010790704	0	28	-1.0	-50.92	291.65	4.06	-46.86
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010790705	0	39	-1.0	-51.73	352.08	2.79	-48.94
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010790706	0	27	-2.0	-127.52	267.90	3.80	-123.72
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010790707	0	38	-1.0	-58.55	317.13	4.81	-53.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010790708	0	34	-1.0	-55.30	314.58	3.70	-51.60
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010790709	0	32	-1.0	-57.25	300.49	3.39	-53.86
CC[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790710	0	29	-1.0	-55.33	283.68	1.81	-53.52
CC[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010790711	0	41	-1.0	-57.27	344.12	6.26	-51.01
CC[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010790712	0	39	-1.0	-56.61	337.25	3.71	-52.90
CC[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010790713	0	45	-1.0	-56.48	352.05	9.50	-46.98
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010790714	0	42	-1.0	-54.90	348.27	5.13	-49.77
CC[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790715	0	33	-1.0	-51.37	305.29	1.86	-49.51
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010790716	0	29	-1.0	-52.08	295.98	3.87	-48.21
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790717	0	30	-1.0	-49.99	307.30	4.57	-45.42
CC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790717	1	29	-2.0	-120.97	302.54	4.95	-116.02
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010790718	0	35	-1.0	-55.48	312.06	3.52	-51.96
CC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010790719	0	34	-1.0	-50.66	321.42	3.25	-47.41
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010790720	0	36	-1.0	-44.33	328.11	2.85	-41.48
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010790721	0	32	-1.0	-53.74	300.97	2.63	-51.11
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010790722	0	31	-1.0	-47.38	299.61	4.07	-43.31
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010790723	0	39	-1.0	-56.04	346.87	0.09	-55.95
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2S1	REAL300010790724	0	40	-1.0	-52.52	370.17	6.03	-46.49
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010790725	0	34	-1.0	-64.36	297.02	2.07	-62.29
CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010790726	0	33	-1.0	-60.12	312.36	-1.42	-61.54
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010790727	0	34	-1.0	-51.56	316.18	3.74	-47.82
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790728	0	36	-1.0	-64.06	329.75	4.81	-59.25
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010790729	0	32	-1.0	-52.22	299.09	2.96	-49.26
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010790730	0	34	-1.0	-55.85	293.90	2.48	-53.37
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010790731	0	34	-1.0	-51.83	323.38	4.16	-47.67
CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010790732	0	34	-1.0	-51.51	292.59	4.11	-47.40
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010790733	0	28	-1.0	-49.40	283.49	4.05	-45.35
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010790734	0	28	-1.0	-51.93	286.10	4.18	-47.75
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010790735	0	38	-1.0	-46.91	335.24	0.11	-46.80
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010790736	0	30	-1.0	-37.53	300.38	4.14	-33.39
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010790736	1	29	-2.0	-115.44	292.96	4.51	-110.93
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010790737	0	28	-1.0	-49.56	281.81	4.29	-45.27
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010790737	1	27	-2.0	-119.62	276.84	4.74	-114.88
CC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010790738	0	29	-1.0	-55.79	280.35	1.40	-54.39
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010790739	0	31	-1.0	-52.68	308.37	4.66	-48.02
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010790740	0	28	-1.0	-52.28	282.00	3.69	-48.59
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010790741	0	38	-1.0	-54.24	337.53	3.70	-50.54
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790742	0	28	-1.0	-49.18	286.10	4.17	-45.01
CC[C@@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010790743	0	31	-1.0	-57.54	301.31	0.51	-57.03
CC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010790743	1	30	-2.0	-96.74	297.75	-0.59	-97.33
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010790744	0	31	-1.0	-57.59	300.18	4.32	-53.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010790745	0	32	-1.0	-60.75	306.74	0.28	-60.47
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790746	0	37	-1.0	-61.13	318.13	5.32	-55.81
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010790747	0	32	-1.0	-55.87	311.31	0.38	-55.49
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010790748	0	39	-1.0	-58.76	332.74	4.33	-54.43
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010790749	0	32	-1.0	-48.50	311.89	4.18	-44.32
CC[C@@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010790750	0	35	-1.0	-57.52	325.30	3.57	-53.95
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010790751	0	31	-1.0	-53.13	314.52	4.46	-48.67
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010790752	0	29	-1.0	-54.16	291.53	3.68	-50.48
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010790753	0	34	-1.0	-50.91	306.39	4.84	-46.07
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300010790754	0	45	-1.0	-55.29	392.05	2.73	-52.56
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010790755	0	34	-1.0	-62.14	314.70	4.52	-57.62
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010790756	0	38	-1.0	-67.06	344.28	0.42	-66.64
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010790757	0	27	-2.0	-128.39	269.18	4.22	-124.17
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010790757	1	28	-1.0	-58.34	276.38	3.80	-54.54
CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010790758	0	45	-1.0	-60.17	368.64	4.94	-55.23
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790759	0	37	-1.0	-55.77	340.44	4.45	-51.32
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010790760	0	38	-1.0	-51.01	348.91	4.66	-46.35
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790761	0	37	-1.0	-54.18	331.16	5.75	-48.43
CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010790762	0	37	-1.0	-54.28	327.09	5.44	-48.84
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010790763	0	38	-1.0	-63.64	335.60	1.97	-61.67
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC)C(=O)[O-]	REAL300010790764	0	42	-1.0	-55.29	372.33	3.91	-51.38
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010790765	0	37	-1.0	-40.78	348.80	5.07	-35.71
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010790765	1	36	-2.0	-123.99	341.44	5.44	-118.55
CC[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010790766	0	37	-1.0	-66.13	316.22	0.16	-65.97
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010790767	0	39	-1.0	-55.19	350.59	2.84	-52.35
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(F)C=C1C	REAL300010790768	0	40	-1.0	-53.32	353.68	5.17	-48.15
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010790769	0	42	-1.0	-59.18	366.80	1.21	-57.97
CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010790770	0	39	-1.0	-59.52	338.66	2.62	-56.90
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790771	0	41	-1.0	-64.01	360.29	4.47	-59.54
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1C	REAL300010790772	0	40	-1.0	-51.76	348.20	5.11	-46.65
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790773	0	40	-1.0	-59.67	354.32	5.36	-54.31
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010790774	0	34	-1.0	-55.18	325.84	5.65	-49.53
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010790774	1	33	-2.0	-132.96	320.24	6.08	-126.88
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010790775	0	31	-1.0	-54.66	289.18	4.30	-50.36
CC[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010790776	0	44	-1.0	-56.12	355.94	4.36	-51.76
CC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010790777	0	34	-1.0	-54.83	317.11	5.01	-49.82
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790778	0	37	-1.0	-59.18	338.05	4.65	-54.53
CC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010790779	0	38	-1.0	-54.48	329.48	6.43	-48.05
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010790780	0	31	-1.0	-55.82	295.84	4.26	-51.56
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1C	REAL300010790781	0	40	-1.0	-52.90	358.29	4.22	-48.68
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010790782	0	34	-1.0	-61.14	325.77	0.94	-60.20
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010790783	0	32	-1.0	-57.95	301.58	3.92	-54.03
CC[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010790784	0	31	-1.0	-56.32	294.11	2.35	-53.97
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010790784	1	30	-2.0	-142.73	290.52	2.75	-139.98
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010790785	0	41	-1.0	-59.28	349.48	3.85	-55.43
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010790786	0	31	-2.0	-105.77	299.29	2.68	-103.09
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010790786	1	32	-1.0	-56.61	300.55	2.07	-54.54
CC[C@@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010790787	0	45	-1.0	-61.71	400.27	3.39	-58.32
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010790788	0	29	-1.0	-38.35	302.28	4.03	-34.32
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010790788	1	28	-2.0	-121.17	294.70	4.30	-116.87
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010790789	0	39	-1.0	-51.14	351.52	2.43	-48.71
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010790790	0	43	-1.0	-51.94	368.45	5.81	-46.13
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790791	0	40	-1.0	-57.45	358.91	2.23	-55.22
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300010790792	0	39	-1.0	-49.86	376.49	3.71	-46.15
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010790793	0	33	-1.0	-56.89	301.88	0.19	-56.70
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010790794	0	27	-1.0	-46.81	286.89	2.18	-44.63
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010790795	0	35	-1.0	-51.88	327.09	3.24	-48.64
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1CC(=O)OC)C(=O)[O-]	REAL300010790796	0	37	-1.0	-56.49	340.74	5.43	-51.06
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010790797	0	34	-1.0	-49.71	309.72	4.52	-45.19
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010790798	0	39	-1.0	-51.35	360.69	6.38	-44.97
CC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010790799	0	37	-1.0	-59.71	332.24	4.45	-55.26
CC[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010790800	0	30	-1.0	-58.54	286.76	2.56	-55.98
CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010790801	0	34	-1.0	-57.25	316.59	4.94	-52.31
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010790802	0	28	-1.0	-51.18	288.80	3.21	-47.97
CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010790803	0	32	-1.0	-62.96	303.65	4.02	-58.94
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300010790804	0	31	-1.0	-51.26	300.85	4.63	-46.63
CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010790805	0	41	-1.0	-54.95	365.13	3.38	-51.57
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790806	0	44	-1.0	-54.78	387.24	4.28	-50.50
CC[C@@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790807	0	36	-1.0	-49.76	321.57	2.36	-47.40
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010790808	0	32	-1.0	-50.84	307.21	2.89	-47.95
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790809	0	37	-1.0	-51.12	348.90	5.07	-46.05
CC[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010790810	0	44	-1.0	-63.82	388.46	4.84	-58.98
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010790811	0	30	-1.0	-47.03	302.31	2.76	-44.27
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010790812	0	37	-1.0	-56.42	320.09	4.61	-51.81
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010790813	0	29	-1.0	-58.53	282.03	2.44	-56.09
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010790814	0	34	-1.0	-59.41	313.05	4.64	-54.77
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010790815	0	31	-1.0	-52.21	289.82	1.82	-50.39
CC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010790815	1	30	-2.0	-125.87	285.46	2.26	-123.61
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790816	0	30	-1.0	-49.57	292.33	5.07	-44.50
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010790816	1	29	-2.0	-122.83	289.14	5.54	-117.29
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010790817	0	37	-1.0	-44.00	332.39	4.33	-39.67
CC[C@@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010790818	0	36	-1.0	-54.17	331.94	4.38	-49.79
CC[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010790819	0	38	-1.0	-55.07	334.65	3.76	-51.31
CC[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010790820	0	55	-1.0	-53.46	413.16	8.74	-44.72
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010790821	0	33	-1.0	-56.93	309.99	4.20	-52.73
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790822	0	40	-1.0	-59.01	355.55	5.30	-53.71
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010790823	0	33	-1.0	-58.27	291.92	2.58	-55.69
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790824	0	35	-1.0	-52.25	324.08	3.31	-48.94
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010790825	0	40	-1.0	-53.97	340.33	4.76	-49.21
CC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010790826	0	31	-1.0	-52.93	292.66	3.51	-49.42
CC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010790826	1	30	-2.0	-126.80	284.94	3.81	-122.99
CC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010790827	0	31	-1.0	-54.94	297.02	4.58	-50.36
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010790827	1	30	-2.0	-134.24	300.06	5.37	-128.87
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010790828	0	42	-1.0	-51.30	375.82	1.48	-49.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010790828	1	41	-2.0	-99.06	374.68	1.56	-97.50
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010790829	0	31	-1.0	-57.17	305.89	4.38	-52.79
CC[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010790830	0	37	-1.0	-69.95	339.58	1.22	-68.73
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010790831	0	37	-1.0	-54.95	322.75	5.92	-49.03
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010790832	0	37	-1.0	-55.19	336.02	4.90	-50.29
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010790833	0	43	-1.0	-58.82	376.85	3.57	-55.25
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010790834	0	41	-1.0	-57.26	351.98	3.35	-53.91
CC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010790835	0	31	-1.0	-58.57	297.77	4.18	-54.39
CC[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010790836	0	34	-1.0	-48.76	304.68	5.33	-43.43
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(CC)=C1	REAL300010790837	0	46	-1.0	-52.36	350.08	7.48	-44.88
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300010790838	0	47	-1.0	-51.15	396.81	3.77	-47.38
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010790839	0	35	-1.0	-55.69	311.28	2.77	-52.92
CC[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010790840	0	30	-1.0	-55.93	303.60	2.90	-53.03
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010790841	0	36	-1.0	-57.74	329.32	2.77	-54.97
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010790842	0	36	-1.0	-52.32	326.77	1.54	-50.78
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010790843	0	33	-1.0	-61.74	309.75	-2.06	-63.80
CC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010790844	0	39	-1.0	-62.99	328.37	0.12	-62.87
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010790845	0	32	-1.0	-50.60	300.76	2.87	-47.73
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010790846	0	31	-1.0	-41.26	291.40	0.61	-40.65
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010790847	0	41	-1.0	-58.88	348.81	4.06	-54.82
CC[C@@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010790848	0	37	-1.0	-55.94	327.16	6.06	-49.88
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010790849	0	32	-1.0	-43.01	298.51	3.22	-39.79
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010790850	0	32	-1.0	-43.88	311.04	3.64	-40.24
CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010790851	0	37	-1.0	-55.87	337.67	4.50	-51.37
CC[C@@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010790852	0	41	-1.0	-57.81	344.43	4.40	-53.41
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010790853	0	31	-1.0	-56.14	313.91	4.77	-51.37
CC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010790854	0	31	-1.0	-54.94	312.56	4.78	-50.16
CC[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010790855	0	31	-1.0	-51.59	294.87	2.11	-49.48
CCC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010790856	0	36	-1.0	-59.11	317.81	4.85	-54.26
CC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010790857	0	44	-1.0	-59.18	360.01	5.21	-53.97
CC[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010790858	0	35	-1.0	-55.81	330.65	5.38	-50.43
CC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010790859	0	31	-1.0	-48.30	298.55	0.22	-48.08
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010790860	0	37	-1.0	-51.05	338.04	4.67	-46.38
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790861	0	37	-1.0	-51.30	349.12	4.67	-46.63
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010790862	0	37	-1.0	-54.39	341.48	4.48	-49.91
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790863	0	34	-1.0	-46.84	331.41	4.25	-42.59
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790863	1	33	-2.0	-130.26	321.97	4.58	-125.68
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010790864	0	37	-1.0	-58.81	336.37	4.35	-54.46
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010790865	0	34	-1.0	-55.50	312.77	4.81	-50.69
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010790866	0	43	-1.0	-48.27	369.93	0.82	-47.45
CC[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010790867	0	35	-1.0	-61.54	320.63	0.86	-60.68
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010790868	0	28	-1.0	-51.03	275.90	3.08	-47.95
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010790869	0	37	-1.0	-49.84	315.62	3.41	-46.43
CC[C@@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010790870	0	38	-1.0	-52.70	326.43	1.92	-50.78
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010790871	0	32	-1.0	-40.67	309.40	3.55	-37.12
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010790872	0	43	-1.0	-68.43	359.65	1.98	-66.45
CC[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010790873	0	39	-1.0	-59.11	346.60	3.49	-55.62
CC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010790874	0	35	-1.0	-55.60	330.73	5.62	-49.98
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010790875	0	31	-1.0	-54.74	302.00	4.35	-50.39
CC[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010790876	0	32	-1.0	-42.51	310.47	0.51	-42.00
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010790876	1	31	-2.0	-120.53	303.05	0.87	-119.66
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010790877	0	31	-1.0	-55.47	298.76	4.24	-51.23
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010790878	0	28	-1.0	-49.04	293.56	4.11	-44.93
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010790879	0	35	-1.0	-59.68	311.45	0.43	-59.25
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010790880	0	53	-1.0	-52.13	435.62	7.94	-44.19
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010790881	0	43	-1.0	-55.53	365.37	5.33	-50.20
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790882	0	28	-1.0	-48.06	301.46	4.61	-43.45
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010790882	1	27	-2.0	-120.91	297.15	5.04	-115.87
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010790883	0	38	-1.0	-44.23	349.21	5.20	-39.03
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010790884	0	28	-1.0	-51.22	282.53	3.65	-47.57
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010790885	0	34	-1.0	-55.30	314.58	3.70	-51.60
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010790886	0	42	-1.0	-57.11	363.67	6.06	-51.05
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010790887	0	42	-1.0	-56.17	372.73	6.36	-49.81
CC[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010790888	0	40	-1.0	-59.00	344.55	2.77	-56.23
CC[C@@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010790889	0	38	-1.0	-55.45	337.18	4.09	-51.36
CC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010790890	0	40	-1.0	-54.86	339.43	4.42	-50.44
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010790891	0	34	-1.0	-57.73	301.55	1.98	-55.75
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010790892	0	36	-1.0	-52.56	337.15	1.91	-50.65
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010790893	0	40	-1.0	-55.57	344.86	5.80	-49.77
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010790894	0	39	-1.0	-58.66	340.20	2.09	-56.57
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790895	0	34	-1.0	-46.61	321.09	3.81	-42.80
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010790895	1	33	-2.0	-129.84	311.65	4.14	-125.70
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010790896	0	39	-1.0	-54.91	345.40	4.60	-50.31
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010790897	0	41	-1.0	-52.50	345.29	4.68	-47.82
CC[C@@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010790898	0	44	-1.0	-53.43	345.76	3.79	-49.64
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010790899	0	47	-1.0	-53.82	386.94	6.05	-47.77
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010790900	0	31	-1.0	-64.57	306.19	2.85	-61.72
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010790901	0	36	-1.0	-50.40	315.43	5.23	-45.17
CC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010790902	0	41	-1.0	-50.55	358.59	5.31	-45.24
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010790903	0	34	-1.0	-53.51	313.92	2.44	-51.07
CC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010790903	1	33	-2.0	-122.68	304.27	2.78	-119.90
CCC1=NC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1CC1CC1	REAL300010790904	0	41	-1.0	-63.08	355.43	4.99	-58.09
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790905	0	34	-1.0	-58.70	317.23	5.01	-53.69
CC[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010790906	0	39	-1.0	-62.94	340.25	3.58	-59.36
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010790907	0	31	-1.0	-47.47	296.81	1.69	-45.78
CC[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010790908	0	39	-1.0	-56.58	356.13	7.09	-49.49
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010790909	0	31	-1.0	-51.88	293.80	4.29	-47.59
CC[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010790910	0	38	-1.0	-58.27	320.29	6.34	-51.93
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300010790911	0	48	-1.0	-53.59	410.85	7.89	-45.70
CC[C@@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010790912	0	34	-1.0	-57.42	317.24	4.93	-52.49
CC[C@@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010790913	0	35	-1.0	-58.85	323.75	3.66	-55.19
CC[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010790914	0	34	-1.0	-58.34	311.25	4.54	-53.80
CC[C@@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010790915	0	37	-1.0	-50.76	319.78	2.07	-48.69
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010790916	0	34	-1.0	-60.68	316.35	1.51	-59.17
CC[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010790917	0	35	-1.0	-59.50	330.81	2.31	-57.19
CCC1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(C)C=C1OC	REAL300010790918	0	41	-1.0	-55.46	337.97	4.42	-51.04
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010790919	0	34	-1.0	-49.81	326.49	4.89	-44.92
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010790920	0	36	-1.0	-61.09	324.02	4.07	-57.02
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010790921	0	31	-1.0	-51.75	302.94	4.70	-47.05
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010790922	0	37	-1.0	-55.49	307.24	6.16	-49.33
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010790923	0	35	-1.0	-51.80	324.75	3.07	-48.73
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010790924	0	37	-1.0	-54.30	326.94	2.72	-51.58
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010790925	0	37	-1.0	-60.48	334.07	4.88	-55.60
CC[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010790926	0	28	-1.0	-51.20	267.10	0.50	-50.70
CC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010790926	1	27	-2.0	-123.22	264.40	0.88	-122.34
CC[C@@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010790927	0	33	-1.0	-47.43	307.63	4.36	-43.07
CC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010790928	0	34	-1.0	-55.64	304.75	4.02	-51.62
CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010790929	0	45	0.0	-80.72	357.17	2.19	-78.53
CC[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010790929	1	44	-1.0	-56.77	354.01	-0.16	-56.93
CC[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010790930	0	28	-1.0	-52.17	277.46	1.10	-51.07
CC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010790931	0	37	-1.0	-53.37	343.18	5.03	-48.34
CC[C@@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010790932	0	28	-1.0	-51.91	282.22	1.52	-50.39
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010790933	0	32	-1.0	-60.45	290.58	4.07	-56.38
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010790934	0	37	-1.0	-51.39	324.48	1.54	-49.85
CCCCN1C=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(C)=N1	REAL300010790935	0	40	-1.0	-52.81	343.59	3.62	-49.19
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010790936	0	38	-1.0	-44.87	343.76	3.57	-41.30
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010790937	0	38	-1.0	-62.24	325.04	3.71	-58.53
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010790938	0	44	-1.0	-54.03	365.20	5.26	-48.77
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010790939	0	40	-1.0	-50.38	333.75	5.25	-45.13
CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010790940	0	31	-1.0	-56.16	298.77	4.24	-51.92
CC[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010790941	0	47	-1.0	-57.01	380.98	7.50	-49.51
CC[C@@H](NS(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C)C(=O)[O-]	REAL300010790942	0	33	-1.0	-58.13	319.34	3.17	-54.96
CC[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010790943	0	25	-1.0	-59.19	255.84	1.04	-58.15
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010790943	1	24	-2.0	-131.15	246.17	1.39	-129.76
CC[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010790944	0	36	-1.0	-60.12	323.74	3.85	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010790945	0	27	-1.0	-40.63	281.33	2.28	-38.35
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010790945	1	26	-2.0	-120.66	271.86	2.62	-118.04
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010790946	0	31	-1.0	-51.66	302.56	0.88	-50.78
CC[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010790947	0	33	-1.0	-53.27	310.72	3.86	-49.41
CC[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010790948	0	30	-1.0	-50.47	295.04	2.89	-47.58
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010790949	0	38	-1.0	-45.84	344.61	3.84	-42.00
CC[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010790950	0	31	-1.0	-53.71	296.86	3.83	-49.88
CC[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010790951	0	27	-1.0	-57.51	283.37	1.36	-56.15
CC[C@@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010790952	0	30	-1.0	-52.95	309.07	3.08	-49.87
CC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010790953	0	30	-1.0	-54.20	287.13	4.29	-49.91
CC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010790954	0	39	-1.0	-62.09	340.05	-0.40	-62.49
CC[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010790955	0	29	-1.0	-48.64	301.02	2.14	-46.50
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010790956	0	37	-1.0	-59.57	333.93	4.36	-55.21
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010790957	0	30	-2.0	-134.34	299.91	4.34	-130.00
CC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010790957	1	31	-1.0	-53.96	302.01	4.08	-49.88
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010790958	0	31	-1.0	-51.09	284.50	1.69	-49.40
CC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010790958	1	30	-2.0	-123.82	279.97	2.05	-121.77
CC[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010790959	0	38	-1.0	-50.43	312.61	3.02	-47.41
CC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010790960	0	25	-1.0	-51.55	262.56	2.50	-49.05
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010790961	0	40	-1.0	-56.30	317.25	2.91	-53.39
CC[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010790962	0	38	-1.0	-54.06	323.73	3.35	-50.71
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010790963	0	31	-1.0	-45.29	285.84	1.81	-43.48
CC[C@@H](NS(=O)(=O)C1=CC(C=CC(=O)OC)=CC(OC)=C1OC)C(=O)[O-]	REAL300010790964	0	46	-1.0	-57.64	398.11	4.83	-52.81
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010790965	0	28	-1.0	-51.89	279.17	1.16	-50.73
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010790966	0	30	-1.0	-52.75	286.23	2.52	-50.23
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010790967	0	35	-1.0	-58.14	313.46	3.15	-54.99
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010790968	0	42	-1.0	-53.85	361.39	4.20	-49.65
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010790969	0	31	-1.0	-51.53	302.93	4.71	-46.82
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010790970	0	33	-1.0	-60.40	301.04	3.50	-56.90
CC[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010790971	0	37	-1.0	-74.43	320.61	1.08	-73.35
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010790972	0	50	-1.0	-53.53	408.19	6.84	-46.69
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010790973	0	31	-1.0	-52.91	292.15	3.88	-49.03
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010790974	0	39	-1.0	-44.43	341.73	3.67	-40.76
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010790975	0	32	-1.0	-52.76	305.12	4.76	-48.00
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)(C)C	REAL300010790976	0	50	-1.0	-53.88	399.27	6.72	-47.16
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1CC	REAL300010790977	0	44	-1.0	-53.33	369.78	5.52	-47.81
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010790978	0	34	-1.0	-47.74	294.73	4.95	-42.79
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C(Br)=C1)C(=O)[O-]	REAL300010790979	0	39	-1.0	-56.75	360.88	3.15	-53.60
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010790980	0	42	-1.0	-69.71	356.33	2.70	-67.01
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010790981	0	31	-1.0	-54.80	310.43	4.72	-50.08
CC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010790982	0	31	-1.0	-55.45	301.54	4.30	-51.15
CC[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010790983	0	38	-1.0	-62.38	337.24	4.91	-57.47
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010790984	0	34	-1.0	-54.95	314.52	4.98	-49.97
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010790985	0	32	-1.0	-61.16	302.66	3.20	-57.96
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010790985	1	31	-2.0	-133.68	295.79	3.57	-130.11
CC[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010790986	0	38	-1.0	-56.32	329.94	5.30	-51.02
CCOC(=O)C1=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])N(C)N=C1	REAL300010790987	0	37	-1.0	-57.98	323.41	2.90	-55.08
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010790988	0	32	-1.0	-54.38	302.87	4.64	-49.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010790989	0	40	-1.0	-58.29	361.22	4.63	-53.66
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010790990	0	41	-1.0	-57.31	352.84	3.68	-53.63
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010790991	0	33	-1.0	-58.50	307.68	1.83	-56.67
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010790992	0	44	-1.0	-55.84	371.37	5.83	-50.01
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010790993	0	48	-1.0	-60.46	382.22	5.48	-54.98
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010790994	0	35	-1.0	-52.12	313.05	3.17	-48.95
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010790995	0	42	-1.0	-54.51	351.09	3.06	-51.45
CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010790996	0	43	-1.0	-65.06	365.92	5.66	-59.40
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C21	REAL300010790997	0	42	-1.0	-75.05	356.31	4.92	-70.13
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300010790998	0	43	-1.0	-52.15	384.39	6.85	-45.30
CC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010790999	0	38	-1.0	-49.73	316.54	3.76	-45.97
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010791000	0	40	-1.0	-52.99	344.20	5.82	-47.17
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010791608	0	32	-1.0	-50.67	295.21	2.64	-48.03
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791609	0	40	-1.0	-46.71	325.22	3.35	-43.36
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791610	0	33	-1.0	-48.77	304.28	4.28	-44.49
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791611	0	33	-1.0	-45.33	290.08	4.16	-41.17
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010791612	0	30	-1.0	-49.84	278.24	2.67	-47.17
C[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010791613	0	25	-1.0	-44.32	258.63	3.19	-41.13
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791614	0	29	-1.0	-45.59	281.65	2.02	-43.57
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN1C	REAL300010791615	0	35	-1.0	-50.94	314.27	3.08	-47.86
C[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010791616	0	38	-1.0	-58.72	341.89	3.17	-55.55
C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010791617	0	37	-1.0	-49.22	315.44	3.52	-45.70
C[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010791618	0	32	-1.0	-49.12	284.07	3.81	-45.31
CSC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791619	0	29	-1.0	-46.95	286.37	3.56	-43.39
C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010791620	0	35	-1.0	-58.90	312.47	-1.30	-60.20
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300010791621	0	34	-1.0	-51.05	306.99	3.04	-48.01
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010791622	0	40	-1.0	-48.19	344.68	2.54	-45.65
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791623	0	43	0.0	-76.96	347.60	3.23	-73.73
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791624	0	28	-1.0	-44.80	267.97	3.61	-41.19
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791625	0	31	-1.0	-49.81	312.87	3.69	-46.12
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1	REAL300010791625	1	30	-2.0	-115.58	305.54	3.44	-112.14
C[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791626	0	25	-1.0	-42.54	281.33	3.76	-38.78
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791626	1	24	-2.0	-109.30	277.66	3.68	-105.62
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010791627	0	25	-1.0	-46.66	246.91	2.41	-44.25
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300010791628	0	52	-1.0	-46.61	414.60	6.46	-40.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791629	0	39	-1.0	-54.48	341.13	3.27	-51.21
C[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010791630	0	28	-1.0	-51.22	275.14	1.11	-50.11
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010791631	0	40	-1.0	-57.00	330.15	2.94	-54.06
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010791632	0	31	-1.0	-46.01	298.03	4.96	-41.05
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])S1	REAL300010791633	0	27	-2.0	-108.98	296.60	2.38	-106.60
COC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791633	1	28	-1.0	-38.36	298.86	2.38	-35.98
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791634	0	33	-1.0	-50.09	298.03	0.31	-49.78
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791636	0	28	-1.0	-43.11	286.65	3.62	-39.49
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791637	0	36	-1.0	-51.56	287.19	0.32	-51.24
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791638	0	30	-1.0	-45.74	291.80	4.02	-41.72
COC1=C(F)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791639	0	31	-1.0	-43.48	294.54	2.91	-40.57
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791640	0	35	-1.0	-46.08	321.78	1.41	-44.67
C[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791641	0	36	-1.0	-57.26	330.00	3.91	-53.35
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010791642	0	43	-1.0	-52.36	347.54	4.99	-47.37
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010791643	0	40	-1.0	-54.20	341.47	3.51	-50.69
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(OC)C=C1Br	REAL300010791644	0	33	-1.0	-47.43	297.29	1.95	-45.48
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010791645	0	28	-1.0	-46.40	264.35	2.79	-43.61
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791646	0	28	-1.0	-45.27	273.57	3.37	-41.90
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791647	0	32	-1.0	-49.20	305.45	1.74	-47.46
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010791648	0	36	-1.0	-61.80	310.65	2.06	-59.74
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010791649	0	37	-1.0	-53.36	322.44	2.12	-51.24
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791650	0	31	-1.0	-47.26	311.56	0.20	-47.06
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010791651	0	25	-1.0	-42.22	282.27	3.82	-38.40
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010791651	1	24	-2.0	-111.33	276.12	3.64	-107.69
C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010791652	0	33	-1.0	-45.77	300.31	3.34	-42.43
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791653	0	35	-1.0	-46.08	321.78	1.41	-44.67
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300010791654	0	35	-1.0	-49.76	302.33	2.63	-47.13
COC(=O)C1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C)=CS1	REAL300010791655	0	31	-1.0	-53.22	287.36	3.38	-49.84
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791656	0	36	-1.0	-51.51	296.03	2.54	-48.97
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791657	0	39	-1.0	-53.18	336.40	3.37	-49.81
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010791658	0	39	-1.0	-51.52	333.30	5.48	-46.04
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791659	0	33	-1.0	-53.74	304.19	4.27	-49.47
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010791660	0	25	-1.0	-44.01	261.97	2.86	-41.15
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010791660	1	24	-2.0	-112.58	270.24	3.15	-109.43
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C2O1	REAL300010791661	0	40	-1.0	-46.74	354.54	4.77	-41.97
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791662	0	37	-1.0	-52.15	323.03	4.60	-47.55
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010791663	0	25	-1.0	-43.02	269.74	3.34	-39.68
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010791663	1	24	-2.0	-111.38	263.58	3.16	-108.22
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300010791664	0	46	-1.0	-53.49	378.75	2.78	-50.71
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010791665	0	44	-1.0	-54.39	364.90	0.03	-54.36
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010791666	0	33	-1.0	-55.08	287.72	5.05	-50.03
C[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010791667	0	31	-1.0	-48.91	292.08	3.86	-45.05
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791668	0	35	-1.0	-42.46	319.74	5.14	-37.32
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791669	0	28	-1.0	-43.60	274.40	3.57	-40.03
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791670	0	33	-1.0	-50.13	291.77	4.21	-45.92
C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010791671	0	25	-1.0	-47.17	263.47	3.31	-43.86
C[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791672	0	27	-1.0	-45.98	275.41	4.17	-41.81
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791672	1	26	-2.0	-115.48	276.71	4.25	-111.23
COC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010791673	0	34	-1.0	-43.79	325.36	4.04	-39.75
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791674	0	35	-1.0	-42.46	319.74	5.14	-37.32
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010791675	0	25	-1.0	-44.05	267.06	3.18	-40.87
C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010791676	0	36	-1.0	-46.08	327.66	1.88	-44.20
C[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010791677	0	24	-2.0	-116.66	249.72	2.41	-114.25
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791678	0	31	-1.0	-48.46	290.48	2.78	-45.68
C[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010791679	0	39	-1.0	-48.47	326.35	4.33	-44.14
C[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010791680	0	26	-1.0	-44.82	271.56	2.98	-41.84
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791681	0	27	-1.0	-43.32	285.88	3.73	-39.59
C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010791681	1	26	-2.0	-106.56	282.20	3.64	-102.92
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791682	0	32	-1.0	-46.74	292.66	2.76	-43.98
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300010791683	0	31	-1.0	-39.26	308.48	2.86	-36.40
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300010791684	0	33	-1.0	-47.14	304.02	1.92	-45.22
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010791685	0	29	-1.0	-47.31	276.64	1.74	-45.57
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010791686	0	28	-1.0	-43.46	275.49	3.15	-40.31
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791687	0	36	-1.0	-49.57	322.20	-0.81	-50.38
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C2S1	REAL300010791688	0	37	-1.0	-47.63	345.72	5.13	-42.50
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010791689	0	31	-1.0	-56.84	277.28	1.36	-55.48
C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010791690	0	30	-1.0	-54.06	287.87	-2.34	-56.40
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791691	0	31	-1.0	-49.69	280.56	2.44	-47.25
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791692	0	33	-1.0	-49.28	310.47	4.07	-45.21
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Br)=C1	REAL300010791693	0	29	-1.0	-49.88	282.13	2.27	-47.61
C[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010791694	0	31	-1.0	-45.67	299.50	3.26	-42.41
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791695	0	31	-1.0	-50.45	269.23	3.22	-47.23
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010791696	0	25	-1.0	-45.62	265.17	3.39	-42.23
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)C(=O)[O-])OCC(=O)N2	REAL300010791697	0	35	-1.0	-51.50	298.24	-0.81	-52.31
C[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010791698	0	26	-2.0	-110.14	278.28	3.27	-106.87
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010791698	1	27	-1.0	-43.31	270.07	2.97	-40.34
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010791699	0	27	-1.0	-42.53	266.28	2.84	-39.69
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010791699	1	26	-2.0	-106.39	274.78	3.12	-103.27
C[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010791700	0	25	-1.0	-43.89	257.33	3.37	-40.52
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010791700	1	24	-2.0	-111.46	258.42	3.42	-108.04
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010791701	0	28	-1.0	-45.92	287.39	3.87	-42.05
C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010791702	0	25	-1.0	-50.24	246.57	2.38	-47.86
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OC	REAL300010791703	0	35	-1.0	-48.23	313.24	2.80	-45.43
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791704	0	25	-1.0	-46.96	269.19	3.50	-43.46
C[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010791705	0	28	-1.0	-50.85	275.12	3.42	-47.43
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010791706	0	29	-1.0	-51.08	282.34	-0.63	-51.71
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791707	0	34	-1.0	-56.17	297.91	4.54	-51.63
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791708	0	33	-1.0	-52.88	289.89	0.49	-52.39
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010791709	0	29	-1.0	-50.84	286.91	-0.53	-51.37
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010791710	0	29	-1.0	-45.18	287.60	3.29	-41.89
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791711	0	32	-1.0	-51.05	300.01	2.68	-48.37
C[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010791712	0	28	-1.0	-46.80	291.21	3.50	-43.30
C[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010791713	0	26	-1.0	-52.07	269.82	2.92	-49.15
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010791714	0	26	-1.0	-50.46	271.64	3.04	-47.42
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791715	0	31	-1.0	-44.34	285.19	3.99	-40.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791716	0	42	-1.0	-51.58	367.86	1.80	-49.78
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010791717	0	31	-1.0	-48.28	295.57	3.79	-44.49
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791718	0	35	-1.0	-57.58	308.12	-0.50	-58.08
C[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Br)C(=O)[O-]	REAL300010791719	0	31	-1.0	-56.06	313.37	0.48	-55.58
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2CC1	REAL300010791720	0	42	-1.0	-51.57	342.88	4.00	-47.57
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300010791721	0	34	-1.0	-48.12	315.79	3.57	-44.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1OC	REAL300010791722	0	35	-1.0	-46.90	325.51	3.73	-43.17
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791723	0	34	-1.0	-44.53	311.85	4.98	-39.55
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791724	0	34	-1.0	-44.46	307.68	4.69	-39.77
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791725	0	35	-1.0	-56.65	310.53	1.07	-55.58
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791726	0	39	-1.0	-51.70	348.42	2.82	-48.88
C[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010791727	0	38	-1.0	-52.70	330.84	3.66	-49.04
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010791728	0	34	-1.0	-45.37	314.98	3.76	-41.61
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010791728	1	33	-2.0	-113.73	323.27	4.04	-109.69
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010791729	0	27	-1.0	-46.89	274.87	3.84	-43.05
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010791729	1	26	-2.0	-115.60	276.18	3.85	-111.75
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010791730	0	32	-2.0	-117.73	296.20	3.54	-114.19
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1OC	REAL300010791731	0	36	-1.0	-51.39	327.37	1.90	-49.49
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1C	REAL300010791732	0	37	-1.0	-47.46	318.24	3.91	-43.55
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791733	0	39	-1.0	-55.40	342.61	0.27	-55.13
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791734	0	36	-1.0	-52.54	302.72	1.69	-50.85
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010791735	0	34	-1.0	-45.11	318.72	3.84	-41.27
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010791735	1	33	-2.0	-113.84	327.01	4.13	-109.71
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791736	0	38	-1.0	-53.56	324.16	3.55	-50.01
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1C	REAL300010791737	0	37	-1.0	-46.81	323.53	4.20	-42.61
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791738	0	37	-1.0	-52.62	329.89	4.44	-48.18
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791739	0	31	-1.0	-50.15	303.99	4.80	-45.35
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](C)C(=O)[O-]	REAL300010791739	1	30	-2.0	-125.71	302.06	4.74	-120.97
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791740	0	28	-1.0	-47.38	272.21	4.14	-43.24
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791741	0	34	-1.0	-50.93	302.24	3.37	-47.56
C[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010791742	0	35	-1.0	-49.67	305.04	5.51	-44.16
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791743	0	39	-1.0	-49.75	350.01	-0.11	-49.86
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010791744	0	28	-1.0	-50.20	270.54	3.37	-46.83
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN1C	REAL300010791745	0	37	-1.0	-49.33	333.02	3.28	-46.05
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010791746	0	31	-1.0	-52.68	301.58	0.01	-52.67
C[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010791747	0	29	-1.0	-50.95	278.05	2.96	-47.99
CC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(Br)N1C	REAL300010791748	0	28	-1.0	-51.46	270.08	1.42	-50.04
CC1=NC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C(Br)N1C	REAL300010791748	1	27	-2.0	-127.87	269.01	1.48	-126.39
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791749	0	38	-1.0	-48.12	325.02	2.95	-45.17
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010791750	0	28	-2.0	-96.13	264.55	1.75	-94.38
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010791750	1	29	-1.0	-50.69	284.11	0.94	-49.75
C[C@@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010791751	0	42	-1.0	-55.92	375.20	2.49	-53.43
C[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010791752	0	26	-1.0	-44.42	266.09	2.70	-41.72
C[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010791752	1	25	-2.0	-109.52	274.35	2.99	-106.53
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791753	0	36	-1.0	-52.10	317.74	1.50	-50.60
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010791754	0	40	-1.0	-47.05	343.77	4.92	-42.13
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OCC(=O)N(C)C)C(Cl)=C1)C(=O)[O-]	REAL300010791755	0	39	-1.0	-50.04	375.28	4.14	-45.90
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791756	0	37	-1.0	-52.07	334.52	1.31	-50.76
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791757	0	36	-1.0	-44.79	352.05	2.81	-41.98
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(Br)=C1C	REAL300010791758	0	37	-1.0	-43.86	341.39	4.74	-39.12
C[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010791759	0	24	-1.0	-41.83	262.39	1.26	-40.57
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791760	0	32	-1.0	-45.97	302.66	2.32	-43.65
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791761	0	34	-1.0	-48.76	320.62	4.79	-43.97
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010791762	0	31	-1.0	-44.29	285.52	3.59	-40.70
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010791763	0	36	-1.0	-45.81	336.50	5.44	-40.37
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791764	0	34	-1.0	-52.66	307.79	3.53	-49.13
C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010791765	0	31	-1.0	-50.25	291.41	4.04	-46.21
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010791766	0	25	-1.0	-44.18	263.27	2.32	-41.86
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1I	REAL300010791767	0	28	-1.0	-46.08	276.52	3.72	-42.36
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791768	0	38	-1.0	-49.88	340.71	2.46	-47.42
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791769	0	41	-1.0	-49.58	362.57	3.39	-46.19
COC(=O)C1(CS(=O)(=O)N[C@H](C)C(=O)[O-])CCCCC1	REAL300010791770	0	40	-1.0	-54.20	316.72	3.60	-50.60
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN=C1C	REAL300010791771	0	33	-1.0	-44.56	297.33	1.43	-43.13
C[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010791772	0	29	-1.0	-49.43	271.54	1.60	-47.83
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791773	0	34	-1.0	-47.02	324.23	4.18	-42.84
C[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010791774	0	41	-1.0	-57.39	363.16	3.97	-53.42
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010791775	0	27	-1.0	-44.23	281.00	1.93	-42.30
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010791776	0	26	-1.0	-50.02	254.64	1.33	-48.69
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010791777	0	28	-1.0	-49.52	272.44	1.11	-48.41
C[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010791777	1	27	-2.0	-119.38	267.29	0.85	-118.53
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791778	0	27	-1.0	-45.93	270.78	4.09	-41.84
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010791778	1	26	-2.0	-115.34	272.30	4.16	-111.18
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1C	REAL300010791779	0	34	-1.0	-47.86	296.62	2.97	-44.89
CC1=CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010791780	0	33	-1.0	-47.29	307.31	3.49	-43.80
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C(C)C)=C1	REAL300010791781	0	52	-1.0	-46.76	393.52	8.16	-38.60
C[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010791782	0	30	-1.0	-51.83	273.43	3.68	-48.15
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791783	0	37	-1.0	-52.86	330.73	4.38	-48.48
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791784	0	32	-1.0	-45.80	299.65	2.39	-43.41
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])CCC2=C1	REAL300010791785	0	37	-1.0	-48.03	316.34	3.82	-44.21
C[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791786	0	28	-1.0	-45.02	287.13	4.19	-40.83
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791786	1	27	-2.0	-122.91	279.70	4.09	-118.82
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791787	0	39	-1.0	-52.90	346.02	0.08	-52.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791787	1	38	-2.0	-91.00	338.85	0.27	-90.73
C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010791788	0	28	-1.0	-50.78	281.06	3.46	-47.32
C[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010791789	0	34	-1.0	-62.28	314.75	0.31	-61.97
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791790	0	34	-1.0	-46.84	316.02	3.99	-42.85
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010791791	0	40	-1.0	-54.11	352.47	2.65	-51.46
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791792	0	38	-1.0	-52.06	327.08	2.43	-49.63
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(CC)=C1	REAL300010791793	0	43	-1.0	-46.19	332.30	6.71	-39.48
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C12	REAL300010791794	0	44	-1.0	-46.85	372.60	2.86	-43.99
C[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010791795	0	27	-1.0	-47.73	279.21	1.99	-45.74
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791796	0	33	-1.0	-49.31	293.06	1.86	-47.45
C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010791797	0	33	-1.0	-46.26	302.01	0.63	-45.63
C[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010791798	0	30	-1.0	-53.03	285.12	-2.94	-55.97
C[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010791799	0	36	-1.0	-60.52	303.54	-0.81	-61.33
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010791800	0	28	-1.0	-48.27	257.37	-0.70	-48.97
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791801	0	38	-1.0	-51.51	328.79	3.47	-48.04
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010791802	0	34	-1.0	-46.67	296.04	4.99	-41.68
C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010791803	0	29	-1.0	-45.36	261.63	2.25	-43.11
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010791804	0	29	-1.0	-45.36	271.97	2.70	-42.66
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791805	0	34	-1.0	-50.76	313.24	3.58	-47.18
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791806	0	38	-1.0	-52.06	319.62	3.48	-48.58
C[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010791807	0	28	-1.0	-49.26	288.76	3.86	-45.40
C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010791808	0	28	-1.0	-48.74	287.26	3.89	-44.85
C[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010791809	0	28	-1.0	-44.95	270.69	1.18	-43.77
CCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010791810	0	33	-1.0	-47.70	293.25	3.94	-43.76
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791811	0	41	-1.0	-50.99	323.61	4.30	-46.69
C[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010791812	0	32	-1.0	-49.07	306.53	4.47	-44.60
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300010791813	0	34	-1.0	-49.26	302.42	3.37	-45.89
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791814	0	34	-1.0	-46.12	324.69	3.75	-42.37
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=N1	REAL300010791815	0	34	-1.0	-47.76	317.09	3.57	-44.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1F	REAL300010791816	0	31	-1.0	-50.51	295.25	2.91	-47.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791816	1	30	-2.0	-121.89	303.55	3.21	-118.68
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791817	0	34	-1.0	-50.90	300.58	3.07	-47.83
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791818	0	31	-1.0	-49.85	287.94	3.88	-45.97
C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010791819	0	40	-1.0	-45.32	345.72	-0.12	-45.44
C[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010791820	0	32	-1.0	-53.98	295.95	-0.04	-54.02
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])SC(Br)=C1	REAL300010791821	0	25	-1.0	-42.22	264.03	2.43	-39.79
C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010791822	0	34	-1.0	-51.39	281.50	2.43	-48.96
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791823	0	35	-1.0	-49.52	307.84	1.03	-48.49
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791824	0	29	-1.0	-45.69	274.37	2.66	-43.03
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)C(=O)[O-])C(=O)NCCC2	REAL300010791825	0	40	-1.0	-56.91	323.45	1.06	-55.85
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S2)C1	REAL300010791826	0	36	-1.0	-51.50	320.52	2.56	-48.94
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010791827	0	32	-1.0	-48.60	305.50	4.71	-43.89
C[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010791828	0	28	-1.0	-48.93	276.92	3.45	-45.48
C[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010791829	0	29	-1.0	-46.95	276.33	-0.80	-47.75
C[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010791829	1	28	-2.0	-112.37	284.63	-0.50	-112.87
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010791830	0	25	-1.0	-42.94	268.88	3.23	-39.71
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791831	0	50	-1.0	-46.39	411.43	7.01	-39.38
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791832	0	40	-1.0	-50.38	340.72	4.44	-45.94
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791833	0	25	-1.0	-42.20	280.55	3.83	-38.37
C[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010791833	1	24	-2.0	-108.13	276.80	3.73	-104.40
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791834	0	35	-1.0	-49.93	312.05	4.31	-45.62
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010791835	0	25	-1.0	-44.36	258.17	2.76	-41.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300010791836	0	31	-1.0	-48.46	290.48	2.78	-45.68
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010791837	0	39	-1.0	-48.67	339.25	5.14	-43.53
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010791838	0	39	-1.0	-49.04	348.65	5.45	-43.59
C[C@@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010791839	0	24	-1.0	-47.68	248.23	0.97	-46.71
C[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010791839	1	23	-2.0	-126.08	241.17	0.79	-125.29
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C2)=N1	REAL300010791840	0	37	-1.0	-50.13	325.31	2.01	-48.12
COC(CS(=O)(=O)N[C@H](C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010791841	0	35	-1.0	-50.12	311.88	3.20	-46.92
C[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010791842	0	37	-1.0	-49.23	315.05	3.52	-45.71
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300010791843	0	33	-1.0	-47.01	312.97	0.98	-46.03
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=CC=C12	REAL300010791844	0	37	-1.0	-48.33	322.87	4.97	-43.36
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791845	0	36	-1.0	-49.93	316.79	1.26	-48.67
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1F	REAL300010791846	0	31	-1.0	-50.57	284.93	2.47	-48.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791846	1	30	-2.0	-121.66	293.47	2.75	-118.91
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(Cl)C=C21	REAL300010791847	0	36	-1.0	-56.07	326.96	3.83	-52.24
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791848	0	38	-1.0	-46.82	321.10	3.75	-43.07
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300010791849	0	44	-1.0	-46.55	362.39	5.16	-41.39
C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010791850	0	28	-1.0	-56.65	281.96	1.94	-54.71
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010791851	0	33	-1.0	-46.48	296.04	4.47	-42.01
C[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010791852	0	38	-1.0	-45.19	331.91	4.40	-40.79
CCC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN1CC1CC1	REAL300010791853	0	38	-1.0	-59.77	332.99	4.31	-55.46
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791854	0	31	-1.0	-52.55	297.29	4.22	-48.33
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2C1	REAL300010791855	0	36	-1.0	-54.87	314.52	2.55	-52.32
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010791856	0	28	-1.0	-41.86	272.62	0.69	-41.17
C[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010791857	0	36	-1.0	-48.92	331.43	6.18	-42.74
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791858	0	28	-1.0	-43.62	274.40	3.56	-40.06
C[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010791859	0	35	-1.0	-51.73	297.90	5.51	-46.22
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010791860	0	45	-1.0	-47.54	386.43	6.98	-40.56
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791861	0	31	-1.0	-50.57	292.18	4.03	-46.54
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791862	0	32	-1.0	-52.71	298.93	2.73	-49.98
C[C@@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010791863	0	24	-1.0	-47.38	242.15	0.30	-47.08
C[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010791863	1	23	-2.0	-115.20	250.62	0.69	-114.51
C[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010791864	0	31	-1.0	-57.43	272.08	0.22	-57.21
C[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010791865	0	32	-1.0	-53.86	306.35	1.39	-52.47
CCC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C)C=C1OC	REAL300010791866	0	38	-1.0	-47.19	318.57	3.68	-43.51
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791867	0	31	-1.0	-44.15	302.06	3.97	-40.18
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791868	0	33	-1.0	-52.35	300.38	3.10	-49.25
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791869	0	28	-1.0	-43.61	283.53	3.97	-39.64
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300010791870	0	25	-1.0	-43.06	273.69	3.32	-39.74
C[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010791871	0	32	-1.0	-45.83	303.24	2.04	-43.79
CC1=CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C2NC1=O	REAL300010791872	0	34	-1.0	-48.84	302.32	1.84	-47.00
CC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010791873	0	34	-1.0	-48.92	311.64	3.43	-45.49
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010791874	0	30	-1.0	-45.56	270.06	2.96	-42.60
C[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010791875	0	31	-1.0	-47.20	286.55	3.64	-43.56
C[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010791876	0	25	-1.0	-45.52	239.37	-0.36	-45.88
C[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791877	0	34	-1.0	-43.64	322.31	4.47	-39.17
C[C@@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010791878	0	25	-1.0	-40.71	263.48	0.79	-39.92
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(OC)C=C1F	REAL300010791879	0	35	-1.0	-48.55	306.80	2.65	-45.90
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791880	0	35	-1.0	-55.98	305.40	2.90	-53.08
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300010791881	0	41	-1.0	-46.94	340.89	4.35	-42.59
C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010791882	0	37	-1.0	-45.53	309.39	4.35	-41.18
C[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010791883	0	44	-1.0	-50.29	355.67	6.62	-43.67
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791884	0	30	-1.0	-50.61	294.01	2.08	-48.53
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791885	0	28	-1.0	-45.93	266.59	-0.14	-46.07
C[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010791886	0	30	-1.0	-48.58	286.32	2.95	-45.63
C[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010791887	0	27	-1.0	-44.45	270.57	1.97	-42.48
C[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010791888	0	35	-1.0	-51.48	308.01	2.75	-48.73
C[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010791889	0	24	-1.0	-50.92	258.31	0.45	-50.47
C[C@@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010791890	0	27	-1.0	-46.25	284.35	2.16	-44.09
C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010791891	0	36	-1.0	-58.31	315.33	-1.30	-59.61
C[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010791892	0	26	-1.0	-44.36	275.84	1.24	-43.12
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791893	0	34	-1.0	-53.09	308.87	3.46	-49.63
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010791894	0	27	-2.0	-123.84	279.80	2.98	-120.86
C[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010791894	1	28	-1.0	-46.90	283.42	3.25	-43.65
C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010791895	0	28	-1.0	-45.77	263.67	0.83	-44.94
C[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010791895	1	27	-2.0	-113.55	261.55	0.67	-112.88
C[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010791896	0	22	-1.0	-43.03	244.13	1.78	-41.25
C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010791897	0	28	-1.0	-42.04	262.09	1.07	-40.97
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791898	0	43	-1.0	-52.00	374.80	3.88	-48.12
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010791899	0	25	-1.0	-50.06	241.19	-0.31	-50.37
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2)C(=O)[O-]	REAL300010791900	0	36	-1.0	-51.42	324.30	2.98	-48.44
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010791901	0	39	-1.0	-49.22	336.96	3.28	-45.94
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791902	0	28	-1.0	-43.47	283.53	3.97	-39.50
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300010791903	0	47	-1.0	-46.10	383.78	5.92	-40.18
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010791904	0	36	-1.0	-46.87	323.07	2.89	-43.98
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)(C)C	REAL300010791905	0	47	-1.0	-46.75	374.85	5.81	-40.94
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1CC	REAL300010791906	0	41	-1.0	-46.77	345.60	4.59	-42.18
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791907	0	36	-1.0	-49.52	336.55	2.26	-47.26
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791908	0	39	-1.0	-59.98	318.21	1.78	-58.20
C[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010791909	0	28	-1.0	-50.31	285.69	3.80	-46.51
C[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010791910	0	28	-1.0	-50.85	276.57	3.38	-47.47
C[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010791911	0	35	-1.0	-55.71	312.41	4.00	-51.71
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791912	0	31	-1.0	-49.17	289.62	4.07	-45.10
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1F	REAL300010791913	0	29	-1.0	-52.35	279.26	2.31	-50.04
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1F	REAL300010791913	1	28	-2.0	-127.04	277.57	2.24	-124.80
CCOC(=O)C1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])N(C)N=C1	REAL300010791914	0	34	-1.0	-49.43	298.19	1.87	-47.56
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(=O)OC	REAL300010791915	0	37	-1.0	-51.27	336.66	3.75	-47.52
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791916	0	38	-1.0	-49.06	333.90	2.95	-46.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791917	0	41	-1.0	-48.27	344.31	4.83	-43.44
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300010791918	0	45	-1.0	-54.89	357.61	4.51	-50.38
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010791919	0	39	-1.0	-48.21	326.42	2.17	-46.04
C[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010791920	0	40	-1.0	-60.52	341.52	4.75	-55.77
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C21	REAL300010791921	0	39	-1.0	-63.20	331.88	4.02	-59.18
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300010791922	0	40	-1.0	-46.37	359.72	5.95	-40.42
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010791923	0	37	-1.0	-47.90	322.86	4.99	-42.91
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791924	0	38	-1.0	-54.52	323.77	3.52	-51.00
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791925	0	35	-1.0	-53.79	305.53	2.91	-50.88
C[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010791926	0	36	-1.0	-50.74	296.33	0.05	-50.69
C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010791927	0	31	-1.0	-46.99	297.91	3.03	-43.96
C[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010791928	0	31	-1.0	-48.54	281.55	-0.67	-49.21
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300010791929	0	50	-1.0	-46.28	405.52	6.69	-39.59
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791930	0	41	-1.0	-48.14	331.94	4.10	-44.04
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791931	0	35	-1.0	-50.86	292.44	3.56	-47.30
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300010791932	0	48	-1.0	-49.04	396.37	4.58	-44.46
CC1=C(Br)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C)S1	REAL300010791933	0	28	-1.0	-46.91	272.57	3.42	-43.49
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(Br)=C1	REAL300010791934	0	28	-1.0	-48.42	276.25	4.09	-44.33
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300010791935	0	37	-1.0	-44.64	341.15	5.00	-39.64
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1Br	REAL300010791936	0	31	-1.0	-52.87	302.25	3.47	-49.40
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C21	REAL300010791937	0	42	-1.0	-61.17	340.56	4.15	-57.02
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010791938	0	31	-1.0	-51.28	280.90	2.60	-48.68
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C21	REAL300010791939	0	39	-1.0	-59.72	330.62	3.71	-56.01
C[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010791940	0	25	-1.0	-41.93	251.83	0.23	-41.70
C[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010791941	0	29	-1.0	-51.03	274.23	2.16	-48.87
C[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010791942	0	28	-1.0	-57.21	277.40	1.83	-55.38
C[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010791943	0	34	-1.0	-52.96	299.25	-0.67	-53.63
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010791944	0	26	-1.0	-46.15	271.68	2.99	-43.16
C[C@@H](NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791945	0	41	-1.0	-51.82	375.21	3.06	-48.76
C[C@@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010791945	1	40	-2.0	-84.97	372.48	1.46	-83.51
COC1=CC=C(F)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1OC	REAL300010791946	0	33	-1.0	-51.94	289.88	2.40	-49.54
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](C)C(=O)[O-])=C1	REAL300010791947	0	27	-2.0	-109.68	287.04	1.41	-108.27
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791947	1	28	-1.0	-44.38	290.73	1.53	-42.85
C[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010791948	0	22	-1.0	-44.39	250.84	2.31	-42.08
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010791949	0	38	-1.0	-48.24	321.16	3.05	-45.19
C[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010791950	0	29	-1.0	-49.26	280.16	3.95	-45.31
C[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010791951	0	29	-1.0	-54.60	274.46	2.18	-52.42
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010791952	0	25	-2.0	-95.36	258.77	1.79	-93.57
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300010791953	0	31	-1.0	-46.60	287.17	4.09	-42.51
C[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010791954	0	31	-1.0	-44.77	300.46	3.26	-41.51
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791955	0	43	-1.0	-48.58	342.69	5.99	-42.59
C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010791956	0	31	-1.0	-47.00	302.04	3.97	-43.03
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010791957	0	36	-1.0	-51.28	317.60	4.97	-46.31
C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010791958	0	38	-1.0	-53.96	320.66	0.50	-53.46
COC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010791959	0	34	-1.0	-62.36	295.48	3.32	-59.04
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010791960	0	29	-1.0	-42.55	287.30	3.44	-39.11
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2C=C1	REAL300010791961	0	37	-1.0	-48.52	331.75	4.97	-43.55
C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010791962	0	34	-1.0	-49.74	319.87	4.69	-45.05
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010791963	0	30	-1.0	-43.47	282.02	1.90	-41.57
C[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791964	0	28	-1.0	-43.19	276.33	3.17	-40.02
C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010791965	0	25	-1.0	-47.43	252.31	2.60	-44.83
C[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010791966	0	25	-1.0	-43.97	262.58	2.23	-41.74
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791967	0	35	-1.0	-51.22	312.99	1.10	-50.12
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010791968	0	28	-1.0	-43.01	282.83	3.53	-39.48
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010791969	0	35	-1.0	-54.54	311.30	3.75	-50.79
C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010791970	0	31	-1.0	-45.77	294.93	3.16	-42.61
C[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010791971	0	30	-1.0	-46.75	275.95	2.58	-44.17
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791972	0	35	-1.0	-45.51	327.29	2.85	-42.66
C[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010791973	0	25	-1.0	-41.46	268.54	3.40	-38.06
C[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010791974	0	25	-1.0	-48.36	250.23	2.48	-45.88
C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010791975	0	28	-1.0	-47.54	261.83	3.69	-43.85
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791976	0	31	-1.0	-45.54	295.68	2.45	-43.09
C[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010791977	0	27	-1.0	-44.11	285.27	2.33	-41.78
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791978	0	34	-1.0	-53.55	302.31	-0.41	-53.96
C[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010791979	0	28	-1.0	-54.36	284.90	-1.40	-55.76
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300010791980	0	34	-1.0	-53.55	302.31	-0.41	-53.96
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791981	0	37	-1.0	-56.18	320.35	5.83	-50.35
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010791982	0	39	-1.0	-48.05	328.10	1.20	-46.85
C[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010791983	0	32	-1.0	-45.02	320.26	2.03	-42.99
C[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010791984	0	40	-1.0	-47.91	327.83	4.99	-42.92
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300010791985	0	36	-1.0	-56.54	298.66	4.18	-52.36
C[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010791986	0	33	-1.0	-47.62	285.78	2.33	-45.29
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300010791987	0	34	-1.0	-51.66	309.87	4.28	-47.38
C[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010791988	0	28	-1.0	-47.62	290.21	4.11	-43.51
C[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010791989	0	35	-1.0	-45.42	310.92	3.24	-42.18
C[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010791990	0	38	-1.0	-47.15	317.31	3.00	-44.15
C[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791991	0	28	-1.0	-44.72	290.76	4.31	-40.41
C[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010791991	1	27	-2.0	-121.73	283.17	4.22	-117.51
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010791992	0	36	-1.0	-46.50	319.54	4.95	-41.55
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300010791993	0	37	-1.0	-52.67	320.81	4.90	-47.77
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(C)=C1Br	REAL300010791994	0	31	-1.0	-44.66	288.55	3.84	-40.82
C[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010791995	0	30	-1.0	-47.69	290.49	3.51	-44.18
C[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010791995	1	29	-2.0	-122.06	291.41	3.53	-118.53
C[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010791996	0	31	-1.0	-44.39	302.52	3.65	-40.74
C[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010791996	1	30	-2.0	-116.18	301.09	3.59	-112.59
C[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010791997	0	37	-1.0	-52.50	314.40	-0.19	-52.69
C[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010791998	0	29	-1.0	-48.66	281.94	3.83	-44.83
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C2	REAL300010791999	0	31	-1.0	-46.06	315.75	3.35	-42.71
C[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010792000	0	24	-2.0	-118.33	258.46	2.91	-115.42
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010792475	0	32	-1.0	-47.78	297.44	2.70	-45.08
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792476	0	40	-1.0	-45.52	329.02	3.54	-41.98
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792477	0	33	-1.0	-45.73	306.10	4.40	-41.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792478	0	33	-1.0	-44.28	292.82	4.27	-40.01
C[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010792479	0	30	-1.0	-49.62	289.65	2.58	-47.04
C[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010792480	0	25	-1.0	-41.12	260.87	3.25	-37.87
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792481	0	29	-1.0	-42.84	283.62	2.09	-40.75
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN1C	REAL300010792482	0	35	-1.0	-48.61	316.66	3.22	-45.39
C[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010792483	0	38	-1.0	-51.01	343.95	3.28	-47.73
C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010792484	0	37	-1.0	-46.06	316.92	3.61	-42.45
C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010792485	0	32	-1.0	-48.87	297.53	3.31	-45.56
CSC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792486	0	29	-1.0	-43.34	288.01	3.63	-39.71
C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010792487	0	35	-1.0	-49.22	315.63	-1.26	-50.48
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300010792488	0	34	-1.0	-46.97	309.00	3.12	-43.85
C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010792489	0	40	-1.0	-45.22	346.57	2.60	-42.62
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792490	0	43	0.0	-69.34	347.32	3.28	-66.06
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792491	0	28	-1.0	-40.14	270.13	3.74	-36.40
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792492	0	31	-1.0	-42.84	311.27	3.64	-39.20
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792492	1	30	-2.0	-115.20	305.30	3.46	-111.74
C[C@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792493	0	25	-1.0	-38.60	283.49	3.86	-34.74
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792493	1	24	-2.0	-109.35	277.64	3.68	-105.67
C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010792494	0	25	-1.0	-43.24	261.02	2.89	-40.35
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300010792495	0	52	-1.0	-45.67	418.38	6.65	-39.02
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792496	0	39	-1.0	-47.36	356.21	3.31	-44.05
C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010792497	0	28	-1.0	-49.13	277.55	1.25	-47.88
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010792498	0	40	-1.0	-46.56	333.84	3.00	-43.56
C[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010792499	0	31	-1.0	-43.10	299.84	5.05	-38.05
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])S1	REAL300010792500	0	27	-2.0	-109.01	296.60	2.38	-106.63
COC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792500	1	28	-1.0	-38.38	298.99	2.39	-35.99
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792501	0	33	-1.0	-46.79	300.26	0.37	-46.42
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792503	0	28	-1.0	-39.73	288.65	3.70	-36.03
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792504	0	36	-1.0	-42.14	283.38	0.05	-42.09
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792505	0	30	-1.0	-38.86	293.75	4.13	-34.73
COC1=C(F)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792506	0	31	-1.0	-41.83	296.25	3.01	-38.82
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792507	0	35	-1.0	-42.60	322.41	1.43	-41.17
C[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792508	0	36	-1.0	-50.62	331.61	4.01	-46.61
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010792509	0	43	-1.0	-49.69	376.26	4.82	-44.87
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010792510	0	40	-1.0	-52.21	355.02	3.53	-48.68
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(OC)C=C1Br	REAL300010792511	0	33	-1.0	-47.31	310.14	1.92	-45.39
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010792512	0	28	-1.0	-45.07	276.38	3.20	-41.87
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792513	0	28	-1.0	-42.50	275.56	3.45	-39.05
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792514	0	32	-1.0	-45.92	307.13	1.80	-44.12
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010792515	0	36	-1.0	-55.82	310.67	2.49	-53.33
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010792516	0	37	-1.0	-51.32	322.24	2.51	-48.81
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792517	0	31	-1.0	-43.86	313.56	0.28	-43.58
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010792518	0	25	-1.0	-43.68	279.66	3.74	-39.94
C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010792518	1	24	-2.0	-111.71	276.12	3.63	-108.08
C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010792519	0	33	-1.0	-45.08	302.23	3.43	-41.65
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792520	0	35	-1.0	-42.60	322.41	1.43	-41.17
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300010792521	0	35	-1.0	-46.54	317.18	2.68	-43.86
COC(=O)C1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C)=CS1	REAL300010792522	0	31	-1.0	-49.85	288.99	3.45	-46.40
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792523	0	36	-1.0	-47.01	324.34	2.31	-44.70
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792524	0	39	-1.0	-47.59	351.56	3.48	-44.11
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010792525	0	39	-1.0	-50.06	347.21	5.48	-44.58
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792526	0	33	-1.0	-46.88	306.22	4.39	-42.49
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010792527	0	25	-1.0	-43.11	273.62	3.28	-39.83
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010792527	1	24	-2.0	-112.56	270.03	3.17	-109.39
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C2O1	REAL300010792528	0	40	-1.0	-44.18	356.48	4.85	-39.33
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792529	0	37	-1.0	-45.03	325.55	4.69	-40.34
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010792530	0	25	-1.0	-44.14	267.12	3.26	-40.88
C[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010792530	1	24	-2.0	-111.74	263.34	3.15	-108.59
C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300010792531	0	46	-1.0	-50.37	384.10	3.07	-47.30
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010792532	0	44	-1.0	-48.64	366.90	0.10	-48.54
CC1=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010792533	0	33	-1.0	-50.79	291.37	5.46	-45.33
C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792534	0	31	-1.0	-44.11	293.84	3.95	-40.16
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792535	0	35	-1.0	-38.38	321.19	5.06	-33.32
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792536	0	28	-1.0	-38.20	276.35	3.68	-34.52
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792537	0	33	-1.0	-42.24	292.72	4.31	-37.93
C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010792538	0	25	-1.0	-43.99	265.44	3.41	-40.58
C[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792539	0	27	-1.0	-43.09	278.31	4.36	-38.73
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792539	1	26	-2.0	-116.39	273.66	4.30	-112.09
COC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010792540	0	34	-1.0	-43.58	325.62	4.10	-39.48
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792541	0	35	-1.0	-38.38	321.19	5.06	-33.32
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010792542	0	25	-1.0	-40.36	268.94	3.23	-37.13
C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010792543	0	36	-1.0	-44.78	329.34	1.98	-42.80
C[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010792544	0	24	-2.0	-116.27	249.48	2.43	-113.84
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792545	0	31	-1.0	-44.69	292.10	2.85	-41.84
C[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010792546	0	39	-1.0	-46.49	328.70	4.42	-42.07
C[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010792547	0	26	-1.0	-40.95	273.30	3.05	-37.90
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792548	0	27	-1.0	-37.66	287.90	3.84	-33.82
C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792548	1	26	-2.0	-106.40	282.20	3.64	-102.76
COC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792549	0	32	-1.0	-41.37	294.85	2.87	-38.50
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792550	0	31	-1.0	-39.36	309.00	2.86	-36.50
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300010792551	0	33	-1.0	-47.03	303.76	1.93	-45.10
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010792552	0	29	-1.0	-44.33	278.27	1.81	-42.52
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010792553	0	28	-1.0	-40.70	277.18	3.23	-37.47
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792554	0	36	-1.0	-45.37	324.05	-0.72	-46.09
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C2S1	REAL300010792555	0	37	-1.0	-44.59	347.39	5.21	-39.38
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010792556	0	31	-1.0	-49.42	282.42	1.42	-48.00
C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010792557	0	30	-1.0	-53.16	289.69	-2.24	-55.40
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792558	0	31	-1.0	-44.39	294.47	2.95	-41.44
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792559	0	33	-1.0	-48.96	310.39	4.07	-44.89
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300010792560	0	29	-1.0	-42.70	280.05	2.26	-40.44
C[C@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010792561	0	31	-1.0	-42.14	300.91	3.35	-38.79
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792562	0	31	-1.0	-48.77	281.99	3.32	-45.45
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010792563	0	25	-1.0	-40.59	267.33	3.47	-37.12
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-])OCC(=O)N2	REAL300010792564	0	35	-1.0	-51.65	311.09	-0.82	-52.47
C[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010792565	0	26	-2.0	-110.14	278.06	3.26	-106.88
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010792565	1	27	-1.0	-39.84	284.22	3.43	-36.41
C[C@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010792566	0	27	-1.0	-41.89	278.16	3.25	-38.64
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010792566	1	26	-2.0	-106.24	274.33	3.14	-103.10
C[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010792567	0	25	-1.0	-40.15	259.37	3.45	-36.70
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010792567	1	24	-2.0	-111.47	258.42	3.42	-108.05
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010792568	0	28	-1.0	-40.25	289.66	3.97	-36.28
C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010792569	0	25	-1.0	-48.29	258.22	2.79	-45.50
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1OC	REAL300010792570	0	35	-1.0	-45.45	314.71	2.88	-42.57
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792571	0	25	-1.0	-40.84	267.45	3.47	-37.37
C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010792572	0	28	-1.0	-42.95	277.28	3.52	-39.43
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010792573	0	29	-1.0	-47.99	284.07	-0.55	-48.54
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792574	0	34	-1.0	-52.04	299.78	4.65	-47.39
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792575	0	33	-1.0	-51.45	290.21	0.85	-50.60
C[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010792576	0	29	-1.0	-47.41	288.63	-0.44	-47.85
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010792577	0	29	-1.0	-41.81	289.37	3.36	-38.45
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792578	0	32	-1.0	-45.11	302.17	2.78	-42.33
C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010792579	0	28	-1.0	-45.49	292.10	3.63	-41.86
C[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010792580	0	26	-1.0	-50.07	271.90	3.01	-47.06
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010792581	0	26	-1.0	-45.90	273.49	3.13	-42.77
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792582	0	31	-1.0	-40.08	287.65	4.10	-35.98
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792583	0	42	-1.0	-50.26	369.49	1.89	-48.37
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010792584	0	31	-1.0	-47.93	295.32	3.78	-44.15
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792585	0	35	-1.0	-51.19	323.14	-0.48	-51.67
C[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Br)C(=O)[O-]	REAL300010792586	0	31	-1.0	-51.58	311.31	0.48	-51.10
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2CC1	REAL300010792587	0	42	-1.0	-48.52	344.65	4.09	-44.43
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300010792588	0	34	-1.0	-44.25	317.76	3.63	-40.62
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1OC	REAL300010792589	0	35	-1.0	-46.91	328.25	3.84	-43.07
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792590	0	34	-1.0	-44.12	311.78	5.00	-39.12
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792591	0	34	-1.0	-43.81	307.47	4.72	-39.09
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792592	0	35	-1.0	-48.41	312.81	1.17	-47.24
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792593	0	39	-1.0	-52.05	343.76	3.45	-48.60
C[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010792594	0	38	-1.0	-44.24	333.00	3.75	-40.49
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010792595	0	34	-1.0	-44.59	326.64	4.20	-40.39
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(F)C=C1Cl	REAL300010792595	1	33	-2.0	-113.69	323.05	4.08	-109.61
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010792596	0	27	-1.0	-43.66	276.72	3.91	-39.75
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010792596	1	26	-2.0	-115.11	275.96	3.88	-111.23
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792597	0	32	-2.0	-117.85	296.45	3.47	-114.38
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1OC	REAL300010792598	0	36	-1.0	-51.17	329.67	2.02	-49.15
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1C	REAL300010792599	0	37	-1.0	-43.82	332.38	4.40	-39.42
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792600	0	39	-1.0	-53.17	344.25	0.37	-52.80
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792601	0	36	-1.0	-47.50	317.51	1.71	-45.79
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010792602	0	34	-1.0	-44.28	330.39	4.29	-39.99
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(F)C=C1Br	REAL300010792602	1	33	-2.0	-113.80	326.79	4.15	-109.65
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792603	0	38	-1.0	-48.33	339.11	3.58	-44.75
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1C	REAL300010792604	0	37	-1.0	-44.37	325.38	4.28	-40.09
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792605	0	37	-1.0	-47.75	331.51	4.54	-43.21
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792606	0	31	-1.0	-43.71	310.54	4.75	-38.96
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792606	1	30	-2.0	-124.48	306.10	4.56	-119.92
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792607	0	28	-1.0	-42.79	273.14	4.21	-38.58
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792608	0	34	-1.0	-46.21	316.31	3.85	-42.36
C[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792609	0	35	-1.0	-46.30	307.02	5.58	-40.72
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792610	0	39	-1.0	-44.79	351.85	-0.04	-44.83
C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010792611	0	28	-1.0	-44.78	272.82	3.46	-41.32
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN1C	REAL300010792612	0	37	-1.0	-47.40	335.41	3.40	-44.00
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010792613	0	31	-1.0	-45.83	303.21	0.11	-45.72
C[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792614	0	29	-1.0	-46.24	279.41	3.00	-43.24
CC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(Br)N1C	REAL300010792615	0	28	-1.0	-50.77	273.20	1.82	-48.95
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(Br)N1C	REAL300010792615	1	27	-2.0	-130.31	270.17	1.42	-128.89
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792616	0	38	-1.0	-54.38	326.67	3.04	-51.34
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010792617	0	28	-2.0	-101.47	279.58	1.76	-99.71
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010792617	1	29	-1.0	-39.92	282.70	0.91	-39.01
C[C@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010792618	0	42	-1.0	-52.20	377.12	2.61	-49.59
C[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010792619	0	26	-1.0	-43.93	277.97	3.11	-40.82
C[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010792619	1	25	-2.0	-109.64	274.12	3.00	-106.64
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792620	0	36	-1.0	-51.56	329.61	1.49	-50.07
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010792621	0	40	-1.0	-44.81	345.63	5.00	-39.81
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(OCC(=O)N(C)C)C(Cl)=C1)C(=O)[O-]	REAL300010792622	0	39	-1.0	-48.61	376.24	4.21	-44.40
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792623	0	37	-1.0	-46.33	336.37	1.39	-44.94
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792624	0	36	-1.0	-43.14	354.05	2.87	-40.27
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(Br)=C1C	REAL300010792625	0	37	-1.0	-41.31	343.19	4.81	-36.50
C[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010792626	0	24	-1.0	-39.56	264.19	1.35	-38.21
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792627	0	32	-1.0	-42.70	304.89	2.38	-40.32
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792628	0	34	-1.0	-42.75	322.03	4.93	-37.82
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010792629	0	31	-1.0	-41.07	287.27	3.69	-37.38
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010792630	0	36	-1.0	-42.41	338.25	5.53	-36.88
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792631	0	34	-1.0	-48.04	309.81	3.60	-44.44
C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010792632	0	31	-1.0	-44.06	293.81	4.12	-39.94
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010792633	0	25	-1.0	-40.16	266.14	2.39	-37.77
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1I	REAL300010792634	0	28	-1.0	-43.00	278.17	3.80	-39.20
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792635	0	38	-1.0	-47.10	342.93	2.52	-44.58
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792636	0	41	-1.0	-46.85	364.56	3.46	-43.39
COC(=O)C1(CS(=O)(=O)N[C@@H](C)C(=O)[O-])CCCCC1	REAL300010792637	0	40	-1.0	-45.75	318.41	3.94	-41.81
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN=C1C	REAL300010792638	0	33	-1.0	-42.33	299.00	1.52	-40.81
C[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010792639	0	29	-1.0	-47.48	283.43	1.99	-45.49
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792640	0	34	-1.0	-43.22	326.20	4.26	-38.96
C[C@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010792641	0	41	-1.0	-50.84	365.31	4.07	-46.77
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010792642	0	27	-1.0	-43.24	282.90	2.04	-41.20
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010792643	0	26	-1.0	-47.30	259.63	1.60	-45.70
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010792644	0	28	-1.0	-48.94	273.15	1.12	-47.82
C[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010792644	1	27	-2.0	-119.61	268.39	0.91	-118.70
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792645	0	27	-1.0	-43.21	273.90	4.26	-38.95
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010792645	1	26	-2.0	-116.33	269.28	4.17	-112.16
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1C	REAL300010792646	0	34	-1.0	-43.93	310.50	3.47	-40.46
CC1=CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010792647	0	33	-1.0	-44.42	309.10	3.56	-40.86
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C(C)C)=C1	REAL300010792648	0	52	-1.0	-44.23	390.30	7.93	-36.30
C[C@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010792649	0	30	-1.0	-48.83	288.71	3.28	-45.55
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792650	0	37	-1.0	-44.83	333.01	4.48	-40.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792651	0	32	-1.0	-42.67	301.41	2.47	-40.20
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])CCC2=C1	REAL300010792652	0	37	-1.0	-45.27	318.22	3.91	-41.36
C[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792653	0	28	-1.0	-45.51	284.60	4.27	-41.24
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792653	1	27	-2.0	-122.91	279.47	4.09	-118.82
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792654	0	39	-1.0	-54.04	353.65	0.57	-53.47
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792654	1	38	-2.0	-102.91	353.11	0.75	-102.16
C[C@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010792655	0	28	-1.0	-42.12	283.08	3.56	-38.56
C[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010792656	0	34	-1.0	-52.74	316.68	0.42	-52.32
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792657	0	34	-1.0	-42.55	317.69	4.19	-38.36
C[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010792658	0	40	-1.0	-51.30	354.43	2.72	-48.58
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792659	0	38	-1.0	-48.66	329.07	2.51	-46.15
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(CC)=C1	REAL300010792660	0	43	-1.0	-42.90	330.97	6.84	-36.06
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C12	REAL300010792661	0	44	-1.0	-45.85	374.37	2.94	-42.91
C[C@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010792662	0	27	-1.0	-44.32	280.99	2.09	-42.23
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792663	0	33	-1.0	-45.35	308.05	1.87	-43.48
C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010792664	0	33	-1.0	-45.02	304.28	0.73	-44.29
C[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010792665	0	30	-1.0	-50.72	286.91	-2.87	-53.59
C[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010792666	0	36	-1.0	-55.93	305.46	-0.68	-56.61
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010792667	0	28	-1.0	-48.28	269.37	-0.30	-48.58
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792668	0	38	-1.0	-46.08	330.05	3.60	-42.48
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010792669	0	34	-1.0	-45.72	298.05	5.08	-40.64
C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010792670	0	29	-1.0	-43.33	278.74	2.33	-41.00
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010792671	0	29	-1.0	-43.11	288.93	2.78	-40.33
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792672	0	34	-1.0	-47.27	315.24	3.66	-43.61
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792673	0	38	-1.0	-44.29	321.52	3.59	-40.70
C[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010792674	0	28	-1.0	-41.73	290.74	3.98	-37.75
C[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010792675	0	28	-1.0	-42.41	289.58	3.97	-38.44
C[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010792676	0	28	-1.0	-41.06	272.43	1.27	-39.79
CCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010792677	0	33	-1.0	-45.22	295.26	4.00	-41.22
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792678	0	41	-1.0	-46.85	338.63	4.32	-42.53
C[C@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010792679	0	32	-1.0	-46.45	308.09	4.55	-41.90
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300010792680	0	34	-1.0	-46.41	314.11	3.80	-42.61
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792681	0	34	-1.0	-43.36	326.68	3.82	-39.54
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)=N1	REAL300010792682	0	34	-1.0	-44.86	318.92	3.64	-41.22
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1F	REAL300010792683	0	31	-1.0	-48.21	309.66	3.39	-44.82
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792683	1	30	-2.0	-122.54	303.28	3.21	-119.33
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792684	0	34	-1.0	-46.74	314.77	3.56	-43.18
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792685	0	31	-1.0	-42.80	289.99	3.98	-38.82
C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010792686	0	40	-1.0	-44.45	347.39	-0.05	-44.50
C[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010792687	0	32	-1.0	-49.31	297.82	0.03	-49.28
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])SC(Br)=C1	REAL300010792688	0	25	-1.0	-42.06	263.18	2.46	-39.60
C[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010792689	0	34	-1.0	-50.54	293.69	2.51	-48.03
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792690	0	35	-1.0	-49.28	308.08	1.16	-48.12
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792691	0	29	-1.0	-46.10	287.24	2.62	-43.48
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-])C(=O)NCCC2	REAL300010792692	0	40	-1.0	-53.70	338.66	1.08	-52.62
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S2)C1	REAL300010792693	0	36	-1.0	-46.61	323.86	2.66	-43.95
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010792694	0	32	-1.0	-44.32	307.86	4.81	-39.51
C[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010792695	0	28	-1.0	-42.65	279.24	3.53	-39.12
C[C@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010792696	0	29	-1.0	-45.55	288.25	-0.38	-45.93
C[C@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010792696	1	28	-2.0	-113.11	284.65	-0.51	-113.62
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010792697	0	25	-1.0	-39.96	271.12	3.28	-36.68
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792698	0	50	-1.0	-43.39	413.42	7.08	-36.31
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792699	0	40	-1.0	-50.09	342.56	4.52	-45.57
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792700	0	25	-1.0	-37.72	282.50	3.92	-33.80
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792700	1	24	-2.0	-108.16	276.80	3.72	-104.44
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792701	0	35	-1.0	-44.63	327.10	4.35	-40.28
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010792702	0	25	-1.0	-40.37	259.68	2.84	-37.53
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300010792703	0	31	-1.0	-44.69	292.10	2.85	-41.84
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010792704	0	39	-1.0	-46.14	340.91	5.24	-40.90
C[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010792705	0	39	-1.0	-45.32	350.28	5.52	-39.80
C[C@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010792706	0	24	-1.0	-47.90	239.87	0.94	-46.96
C[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010792706	1	23	-2.0	-126.20	240.93	0.81	-125.39
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C2)=N1	REAL300010792707	0	37	-1.0	-45.38	327.48	2.11	-43.27
COC(CS(=O)(=O)N[C@@H](C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010792708	0	35	-1.0	-45.90	303.33	3.50	-42.40
C[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010792709	0	37	-1.0	-46.54	316.61	3.61	-42.93
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300010792710	0	33	-1.0	-44.78	314.59	1.07	-43.71
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=CC=C12	REAL300010792711	0	37	-1.0	-45.90	325.22	5.08	-40.82
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792712	0	36	-1.0	-48.50	318.54	1.36	-47.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1F	REAL300010792713	0	31	-1.0	-48.12	299.34	2.95	-45.17
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792713	1	30	-2.0	-121.78	292.96	2.77	-119.01
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(Cl)C=C21	REAL300010792714	0	36	-1.0	-55.40	325.80	3.83	-51.57
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792715	0	38	-1.0	-44.01	322.72	3.84	-40.17
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300010792716	0	44	-1.0	-43.73	364.28	5.22	-38.51
C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010792717	0	28	-1.0	-53.21	283.38	2.04	-51.17
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010792718	0	33	-1.0	-45.92	298.23	4.56	-41.36
C[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010792719	0	38	-1.0	-43.77	336.86	4.50	-39.27
CCC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN1CC1CC1	REAL300010792720	0	38	-1.0	-53.26	330.36	4.38	-48.88
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792721	0	31	-1.0	-47.29	299.19	4.36	-42.93
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2C1	REAL300010792722	0	36	-1.0	-50.11	316.47	2.68	-47.43
C[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010792723	0	28	-1.0	-40.49	274.14	0.86	-39.63
C[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792724	0	36	-1.0	-45.40	333.46	6.26	-39.14
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792725	0	28	-1.0	-38.27	276.35	3.67	-34.60
C[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010792726	0	35	-1.0	-50.62	300.52	5.62	-45.00
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010792727	0	45	-1.0	-45.64	388.43	7.05	-38.59
CC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792728	0	31	-1.0	-44.30	294.23	4.13	-40.17
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792729	0	32	-1.0	-47.71	300.99	2.84	-44.87
C[C@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010792730	0	24	-1.0	-45.89	256.19	0.89	-45.00
C[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010792730	1	23	-2.0	-115.50	250.37	0.70	-114.80
C[C@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010792731	0	31	-1.0	-52.97	295.02	0.63	-52.34
C[C@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010792732	0	32	-1.0	-49.41	308.38	1.46	-47.95
CCC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C)C=C1OC	REAL300010792733	0	38	-1.0	-42.91	319.92	3.91	-39.00
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792734	0	31	-1.0	-40.76	304.03	4.04	-36.72
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792735	0	33	-1.0	-48.61	301.58	3.21	-45.40
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792736	0	28	-1.0	-38.58	285.62	4.07	-34.51
C[C@H](NS(=O)(=O)C1=CC(Br)=CC(Br)=C1)C(=O)[O-]	REAL300010792737	0	25	-1.0	-39.94	275.68	3.38	-36.56
C[C@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010792738	0	32	-1.0	-41.21	305.33	2.12	-39.09
CC1=CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C2NC1=O	REAL300010792739	0	34	-1.0	-45.47	304.27	1.91	-43.56
CC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010792740	0	34	-1.0	-48.56	313.65	3.56	-45.00
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010792741	0	30	-1.0	-42.45	285.92	3.57	-38.88
C[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010792742	0	31	-1.0	-41.24	290.80	3.45	-37.79
C[C@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010792743	0	25	-1.0	-42.55	258.05	0.34	-42.21
C[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792744	0	34	-1.0	-39.27	330.20	4.44	-34.83
C[C@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010792745	0	25	-1.0	-40.81	263.34	0.77	-40.04
COC(=O)C1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(OC)C=C1F	REAL300010792746	0	35	-1.0	-48.73	319.47	2.64	-46.09
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792747	0	35	-1.0	-51.30	307.73	3.03	-48.27
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300010792748	0	41	-1.0	-43.95	342.65	4.42	-39.53
C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010792749	0	37	-1.0	-43.05	311.07	4.42	-38.63
C[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010792750	0	44	-1.0	-43.23	357.83	6.71	-36.52
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792751	0	30	-1.0	-48.61	296.66	2.34	-46.27
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792752	0	28	-1.0	-45.91	279.42	-0.10	-46.01
C[C@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010792753	0	30	-1.0	-46.12	288.26	3.01	-43.11
C[C@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010792754	0	27	-1.0	-41.43	272.79	2.03	-39.40
C[C@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010792755	0	35	-1.0	-50.11	323.87	2.94	-47.17
C[C@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010792756	0	24	-1.0	-44.76	260.47	0.56	-44.20
C[C@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010792757	0	27	-1.0	-44.37	286.39	2.25	-42.12
C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010792758	0	36	-1.0	-49.76	317.10	-1.19	-50.95
C[C@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010792759	0	26	-1.0	-42.04	278.51	1.32	-40.72
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792760	0	34	-1.0	-45.08	311.15	3.55	-41.53
C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010792761	0	27	-2.0	-123.49	279.57	3.00	-120.49
C[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010792761	1	28	-1.0	-46.50	280.26	3.30	-43.20
C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010792762	0	28	-1.0	-42.83	266.63	0.94	-41.89
C[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010792762	1	27	-2.0	-113.79	261.54	0.66	-113.13
C[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010792763	0	22	-1.0	-46.29	241.25	1.71	-44.58
C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010792764	0	28	-1.0	-42.10	264.63	0.98	-41.12
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792765	0	43	-1.0	-51.78	373.46	3.87	-47.91
C[C@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010792766	0	25	-1.0	-47.63	259.70	0.40	-47.23
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2)C(=O)[O-]	REAL300010792767	0	36	-1.0	-46.31	326.37	3.06	-43.25
C[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010792768	0	39	-1.0	-48.18	338.75	3.38	-44.80
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792769	0	28	-1.0	-38.56	285.62	4.07	-34.49
CCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300010792770	0	47	-1.0	-43.69	385.78	6.00	-37.69
C[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010792771	0	36	-1.0	-51.47	320.85	2.83	-48.64
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)(C)C	REAL300010792772	0	47	-1.0	-43.91	376.83	5.87	-38.04
CCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1CC	REAL300010792773	0	41	-1.0	-43.73	347.38	4.69	-39.04
COCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792774	0	36	-1.0	-46.25	338.19	2.32	-43.93
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792775	0	39	-1.0	-54.94	331.34	1.69	-53.25
C[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010792776	0	28	-1.0	-44.58	287.62	3.91	-40.67
C[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010792777	0	28	-1.0	-45.23	278.50	3.49	-41.74
C[C@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010792778	0	35	-1.0	-47.31	314.47	4.10	-43.21
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792779	0	31	-1.0	-41.80	293.43	4.10	-37.70
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1F	REAL300010792780	0	29	-1.0	-47.57	280.10	2.37	-45.20
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1F	REAL300010792780	1	28	-2.0	-126.69	277.35	2.27	-124.42
CCOC(=O)C1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])N(C)N=C1	REAL300010792781	0	34	-1.0	-45.34	300.97	2.05	-43.29
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(=O)OC	REAL300010792782	0	37	-1.0	-48.61	338.48	3.80	-44.81
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792783	0	38	-1.0	-44.07	335.62	2.97	-41.10
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792784	0	41	-1.0	-46.95	348.89	4.98	-41.97
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300010792785	0	45	-1.0	-54.46	358.14	4.58	-49.88
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010792786	0	39	-1.0	-44.29	328.27	2.26	-42.03
C[C@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010792787	0	40	-1.0	-59.19	343.35	4.83	-54.36
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C21	REAL300010792788	0	39	-1.0	-58.08	333.63	4.11	-53.97
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300010792789	0	40	-1.0	-43.65	361.71	6.03	-37.62
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300010792790	0	37	-1.0	-46.57	324.82	5.10	-41.47
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792791	0	38	-1.0	-48.73	338.99	3.58	-45.15
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792792	0	35	-1.0	-50.82	307.47	3.02	-47.80
C[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010792793	0	36	-1.0	-47.26	302.07	0.35	-46.91
C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010792794	0	31	-1.0	-45.00	300.39	3.12	-41.88
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010792795	0	31	-1.0	-45.77	283.55	-0.59	-46.36
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300010792796	0	50	-1.0	-43.56	407.28	6.78	-36.78
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792797	0	41	-1.0	-43.13	335.11	4.28	-38.85
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792798	0	35	-1.0	-45.47	308.71	3.66	-41.81
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300010792799	0	48	-1.0	-46.79	398.26	4.64	-42.15
CC1=C(Br)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C)S1	REAL300010792800	0	28	-1.0	-43.13	274.73	3.46	-39.67
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Br)=C1	REAL300010792801	0	28	-1.0	-44.69	277.54	4.14	-40.55
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792802	0	37	-1.0	-41.27	343.05	5.08	-36.19
COC(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1Br	REAL300010792803	0	31	-1.0	-49.57	300.35	3.47	-46.10
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C21	REAL300010792804	0	42	-1.0	-56.15	341.34	4.21	-51.94
C[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010792805	0	31	-1.0	-48.11	283.04	2.70	-45.41
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C21	REAL300010792806	0	39	-1.0	-58.24	332.24	3.78	-54.46
C[C@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010792807	0	25	-1.0	-40.85	254.51	0.37	-40.48
C[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010792808	0	29	-1.0	-47.41	289.19	2.78	-44.63
C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010792809	0	28	-1.0	-53.70	278.82	1.93	-51.77
C[C@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010792810	0	34	-1.0	-53.07	301.12	-0.62	-53.69
C[C@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010792811	0	26	-1.0	-41.13	273.22	3.06	-38.07
C[C@H](NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792812	0	41	-1.0	-46.55	377.05	3.14	-43.41
C[C@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792812	1	40	-2.0	-87.76	374.21	1.55	-86.21
COC1=CC=C(F)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1OC	REAL300010792813	0	33	-1.0	-49.06	290.25	2.51	-46.55
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792814	0	27	-2.0	-110.07	287.04	1.42	-108.65
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792814	1	28	-1.0	-41.71	292.55	1.61	-40.10
C[C@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010792815	0	22	-1.0	-40.47	253.59	2.40	-38.07
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010792816	0	38	-1.0	-47.26	323.06	3.11	-44.15
C[C@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010792817	0	29	-1.0	-46.57	281.83	4.04	-42.53
C[C@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010792818	0	29	-1.0	-50.36	289.28	2.79	-47.57
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010792819	0	25	-2.0	-100.27	273.27	1.79	-98.48
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300010792820	0	31	-1.0	-41.44	288.36	4.30	-37.14
C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010792821	0	31	-1.0	-41.64	302.29	3.34	-38.30
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792822	0	43	-1.0	-43.53	346.87	6.16	-37.37
C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010792823	0	31	-1.0	-42.79	303.93	4.05	-38.74
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010792824	0	36	-1.0	-45.60	332.73	5.02	-40.58
C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010792825	0	38	-1.0	-50.68	322.63	0.57	-50.11
COC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010792826	0	34	-1.0	-58.56	296.44	3.42	-55.14
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792827	0	29	-1.0	-39.71	289.53	3.50	-36.21
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2C=C1	REAL300010792828	0	37	-1.0	-45.88	333.46	5.07	-40.81
C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010792829	0	34	-1.0	-46.34	321.74	4.77	-41.57
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010792830	0	30	-1.0	-41.94	284.07	1.97	-39.97
C[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792831	0	28	-1.0	-40.05	278.56	3.23	-36.82
C[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010792832	0	25	-1.0	-43.68	254.23	2.68	-41.00
C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010792833	0	25	-1.0	-40.92	264.81	2.30	-38.62
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792834	0	35	-1.0	-45.07	314.89	1.19	-43.88
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010792835	0	28	-1.0	-40.34	284.75	3.59	-36.75
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010792836	0	35	-1.0	-49.30	312.91	3.85	-45.45
C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010792837	0	31	-1.0	-42.30	296.35	3.25	-39.05
C[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010792838	0	30	-1.0	-43.76	293.11	2.67	-41.09
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792839	0	35	-1.0	-42.65	329.03	2.93	-39.72
C[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010792840	0	25	-1.0	-41.16	268.54	3.42	-37.74
C[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010792841	0	25	-1.0	-44.66	251.79	2.55	-42.11
C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792842	0	28	-1.0	-42.55	262.11	3.75	-38.80
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792843	0	31	-1.0	-42.77	298.28	2.53	-40.24
C[C@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010792844	0	27	-1.0	-41.35	287.76	2.42	-38.93
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792845	0	34	-1.0	-50.13	304.06	-0.32	-50.45
C[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010792846	0	28	-1.0	-52.55	287.49	-1.31	-53.86
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792847	0	34	-1.0	-50.13	304.06	-0.32	-50.45
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792848	0	37	-1.0	-53.16	323.90	5.98	-47.18
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010792849	0	39	-1.0	-46.46	332.73	1.34	-45.12
C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010792850	0	32	-1.0	-41.22	322.17	2.08	-39.14
C[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010792851	0	40	-1.0	-47.15	326.61	4.72	-42.43
CC1=CC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300010792852	0	36	-1.0	-53.37	305.65	4.53	-48.84
C[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010792853	0	33	-1.0	-45.55	286.52	2.19	-43.36
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792854	0	34	-1.0	-45.92	310.43	4.36	-41.56
C[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010792855	0	28	-1.0	-45.12	292.66	4.20	-40.92
C[C@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010792856	0	35	-1.0	-45.09	313.11	3.38	-41.71
C[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010792857	0	38	-1.0	-45.10	320.05	3.13	-41.97
C[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792858	0	28	-1.0	-45.04	288.07	4.40	-40.64
C[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010792858	1	27	-2.0	-122.02	283.19	4.22	-117.80
C[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010792859	0	36	-1.0	-44.18	321.52	5.02	-39.16
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792860	0	37	-1.0	-46.06	323.10	5.00	-41.06
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC(C)=C1Br	REAL300010792861	0	31	-1.0	-41.99	290.55	3.91	-38.08
C[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010792862	0	30	-1.0	-46.82	292.19	3.60	-43.22
C[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010792862	1	29	-2.0	-121.39	290.93	3.57	-117.82
C[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010792863	0	31	-1.0	-42.95	305.26	3.74	-39.21
C[C@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010792863	1	30	-2.0	-117.10	305.28	3.27	-113.83
C[C@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010792864	0	37	-1.0	-44.79	316.44	-0.08	-44.87
C[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010792865	0	29	-1.0	-44.06	284.08	3.93	-40.13
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C2	REAL300010792866	0	31	-1.0	-42.85	318.35	3.42	-39.43
C[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010792867	0	24	-2.0	-117.94	258.21	2.93	-115.01
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792868	0	27	-1.0	-45.47	273.01	1.41	-44.06
C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792868	1	26	-2.0	-113.72	269.17	1.31	-112.41
C[C@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010792869	0	30	-1.0	-50.95	290.51	3.40	-47.55
C[C@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010792870	0	30	-1.0	-50.99	287.31	3.23	-47.76
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792871	0	27	-1.0	-45.47	273.01	1.41	-44.06
C[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010792871	1	26	-2.0	-113.72	269.17	1.31	-112.41
C[C@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010792872	0	28	-1.0	-45.12	292.66	4.20	-40.92
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792873	0	29	-1.0	-48.09	282.95	3.21	-44.88
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792873	1	28	-2.0	-127.91	280.01	3.01	-124.90
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010792874	0	39	-1.0	-44.45	336.97	3.65	-40.80
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])O1	REAL300010792875	0	31	-1.0	-56.19	297.67	-1.48	-57.67
C[C@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010792876	0	35	-1.0	-49.69	307.56	3.65	-46.04
C[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010792877	0	31	-1.0	-46.05	302.65	-0.15	-46.20
C[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010792878	0	29	-1.0	-42.51	287.25	4.02	-38.49
C[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010792879	0	29	-1.0	-42.59	287.11	4.04	-38.55
CC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010792880	0	34	-1.0	-51.39	308.09	1.48	-49.91
CC1=NC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010792880	1	33	-2.0	-133.76	304.21	1.01	-132.75
C[C@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010792881	0	42	-1.0	-42.45	309.22	5.07	-37.38
CCOC(=O)C1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C2C=CC=CN12	REAL300010792882	0	37	-1.0	-53.73	334.92	3.95	-49.78
C[C@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010792883	0	29	-1.0	-48.21	280.20	1.23	-46.98
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C2C=C1	REAL300010792884	0	34	-1.0	-52.55	314.43	4.28	-48.27
C[C@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010792885	0	35	-1.0	-44.25	315.52	5.09	-39.16
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010792886	0	47	-1.0	-44.79	362.40	6.35	-38.44
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])=C1	REAL300010792887	0	27	-2.0	-109.51	282.96	1.31	-108.20
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792887	1	28	-1.0	-41.65	288.47	1.50	-40.15
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792888	0	29	-1.0	-45.18	282.02	3.36	-41.82
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792888	1	28	-2.0	-120.44	282.32	3.29	-117.15
C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010792889	0	29	-1.0	-43.17	279.36	2.50	-40.67
C[C@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010792890	0	29	-1.0	-45.27	278.28	1.81	-43.46
C[C@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010792891	0	28	-1.0	-47.90	262.28	3.70	-44.20
C[C@H](NS(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792892	0	29	-1.0	-45.36	287.57	3.60	-41.76
C[C@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010792893	0	34	-1.0	-42.25	311.68	2.65	-39.60
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010792894	0	22	-1.0	-38.54	258.63	2.29	-36.25
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010792894	1	21	-2.0	-108.03	253.72	2.11	-105.92
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792895	0	38	-1.0	-47.54	323.72	4.47	-43.07
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010792896	0	42	-1.0	-44.49	351.11	4.08	-40.41
C[C@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010792897	0	28	-1.0	-44.29	287.66	3.55	-40.74
C[C@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010792898	0	30	-1.0	-45.80	284.52	2.80	-43.00
C[C@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010792899	0	22	-1.0	-40.74	249.48	2.11	-38.63
C[C@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010792899	1	21	-2.0	-114.97	246.91	2.06	-112.91
C[C@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792900	0	36	-1.0	-46.38	323.26	5.09	-41.29
C[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010792901	0	30	-1.0	-45.61	287.57	0.77	-44.84
C[C@H](NS(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010792902	0	22	-1.0	-38.73	269.32	2.86	-35.87
C[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(I)S1)C(=O)[O-]	REAL300010792902	1	21	-2.0	-109.11	264.40	2.68	-106.43
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010792903	0	26	-1.0	-47.32	275.65	1.01	-46.31
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010792904	0	29	-1.0	-47.97	271.91	1.61	-46.36
C[C@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010792905	0	31	-1.0	-43.24	295.29	4.95	-38.29
C[C@H](NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010792906	0	34	-1.0	-40.32	325.34	4.55	-35.77
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010792907	0	35	-1.0	-43.68	323.77	6.10	-37.58
COC(=O)C1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C(Cl)S1	REAL300010792908	0	28	-1.0	-45.95	289.84	3.21	-42.74
CCC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792909	0	31	-1.0	-41.43	291.75	4.06	-37.37
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792910	0	38	-1.0	-43.63	320.17	3.40	-40.23
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792911	0	39	-1.0	-47.45	339.14	2.48	-44.97
C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010792912	0	31	-1.0	-48.68	290.81	5.00	-43.68
C[C@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010792913	0	31	-1.0	-44.74	297.68	1.99	-42.75
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792914	0	39	-1.0	-52.35	339.14	2.72	-49.63
C[C@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010792915	0	40	-1.0	-44.35	334.57	2.55	-41.80
C[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010792916	0	24	-1.0	-48.33	258.61	0.43	-47.90
C[C@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010792917	0	35	-1.0	-48.82	287.72	-0.62	-49.44
C[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010792918	0	28	-1.0	-53.21	283.38	2.04	-51.17
C[C@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010792919	0	22	-2.0	-118.53	241.66	-0.18	-118.71
C[C@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010792919	1	23	-1.0	-44.15	246.83	-0.00	-44.15
C[C@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010792920	0	22	-1.0	-40.47	253.59	2.40	-38.07
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792921	0	29	-1.0	-44.57	283.86	2.60	-41.97
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792922	0	34	-1.0	-50.24	314.51	1.30	-48.94
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300010792922	1	33	-2.0	-95.95	311.22	0.17	-95.78
C[C@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010792923	0	29	-1.0	-41.49	296.78	4.35	-37.14
C[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010792924	0	30	-1.0	-42.18	284.67	4.35	-37.83
C[C@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010792925	0	23	-2.0	-123.52	249.54	0.86	-122.66
C[C@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010792925	1	24	-1.0	-46.24	255.14	1.05	-45.19
COC(=O)C1=NC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300010792926	0	33	-1.0	-43.19	299.50	1.54	-41.65
C[C@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010792927	0	32	-1.0	-46.37	292.53	4.38	-41.99
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300010792928	0	39	-1.0	-44.47	341.89	5.72	-38.75
C[C@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010792929	0	32	-1.0	-44.70	294.59	4.39	-40.31
C[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010792930	0	22	-1.0	-46.29	241.25	1.71	-44.58
C[C@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010792931	0	29	-1.0	-47.35	284.63	2.68	-44.67
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792932	0	27	-1.0	-39.83	265.98	1.79	-38.04
CC1=CC=C(I)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792933	0	28	-1.0	-40.59	276.61	4.23	-36.36
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792934	0	34	-1.0	-45.82	301.24	4.09	-41.73
C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010792935	0	36	-1.0	-46.34	317.30	6.27	-40.07
C[C@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010792936	0	24	-1.0	-40.85	249.10	0.96	-39.89
C[C@H](NS(=O)(=O)C1=CC=C(I)C=C1Cl)C(=O)[O-]	REAL300010792937	0	25	-1.0	-41.17	275.15	3.88	-37.29
C[C@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010792938	0	28	-1.0	-42.47	261.36	1.75	-40.72
C[C@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010792939	0	33	-1.0	-46.16	288.28	-2.08	-48.24
CC1=NC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300010792940	0	27	-1.0	-45.63	266.68	1.69	-43.94
C[C@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792941	0	23	-2.0	-116.02	256.69	1.42	-114.60
C[C@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010792941	1	24	-1.0	-42.59	259.74	1.82	-40.77
C[C@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010792942	0	34	-1.0	-50.65	312.96	1.74	-48.91
C[C@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010792943	0	32	-1.0	-45.48	289.75	4.60	-40.88
COC1=CC=C(I)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792944	0	29	-1.0	-42.73	284.99	2.78	-39.95
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(Cl)=C1Cl	REAL300010792945	0	28	-1.0	-47.06	279.11	3.76	-43.30
C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010792946	0	29	-1.0	-43.92	285.84	2.04	-41.88
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300010792947	0	48	-1.0	-44.55	404.33	7.37	-37.18
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(C(F)F)=C1	REAL300010792948	0	32	-1.0	-47.09	280.61	2.87	-44.22
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C(=O)OC	REAL300010792949	0	38	-1.0	-46.61	336.59	3.79	-42.82
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2C1	REAL300010792950	0	38	-1.0	-48.32	332.13	4.70	-43.62
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792951	0	31	-1.0	-42.58	299.31	0.35	-42.23
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792952	0	31	-1.0	-43.39	301.07	4.28	-39.11
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792952	1	30	-2.0	-120.21	295.93	4.14	-116.07
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300010792953	0	31	-1.0	-51.04	284.89	3.73	-47.31
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@@H](C)C(=O)[O-]	REAL300010792953	1	30	-2.0	-137.02	277.64	3.67	-133.35
C[C@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010792954	0	25	-1.0	-42.52	255.38	3.49	-39.03
COC1=CC=C(I)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792955	0	29	-1.0	-42.73	284.99	2.78	-39.95
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C2C=C1	REAL300010792956	0	36	-1.0	-45.82	329.39	3.16	-42.66
C[C@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010792957	0	20	-2.0	-107.96	232.35	0.44	-107.52
C[C@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010792957	1	21	-1.0	-39.24	237.77	0.62	-38.62
C[C@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010792958	0	27	-1.0	-43.36	269.22	0.67	-42.69
C[C@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010792959	0	32	-1.0	-47.37	306.54	3.17	-44.20
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300010792960	0	38	-1.0	-47.97	323.94	4.24	-43.73
C[C@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792961	0	29	-2.0	-101.65	279.78	2.15	-99.50
C[C@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010792961	1	30	-1.0	-47.06	283.02	1.23	-45.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300010792962	0	33	-1.0	-52.87	295.98	2.82	-50.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010792963	0	34	-1.0	-41.95	308.71	4.78	-37.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010792964	0	34	-1.0	-41.39	297.40	4.74	-36.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300010792965	0	46	-1.0	-45.85	348.74	6.83	-39.02
CC[C@H](C)[C@H](NS(=O)(=O)CC1(CC(=O)OC)CC1)C(=O)[O-]	REAL300010792966	0	43	-1.0	-49.00	351.37	4.60	-44.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OC)C(=O)[O-]	REAL300010792967	0	40	-1.0	-47.37	324.43	5.48	-41.89
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010792968	0	43	-1.0	-42.98	363.21	5.75	-37.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010792969	0	34	-1.0	-51.88	315.45	5.16	-46.72
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792970	0	40	-1.0	-47.27	339.84	4.83	-42.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010792971	0	46	-1.0	-44.32	362.79	6.48	-37.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300010792972	0	43	-1.0	-44.03	346.81	6.08	-37.95
CCC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010792973	0	46	-1.0	-45.11	366.09	6.74	-38.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010792974	0	45	-1.0	-50.15	382.92	2.15	-48.00
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010792975	0	38	-1.0	-45.01	323.16	0.97	-44.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010792976	0	44	-1.0	-47.14	368.79	3.17	-43.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010792977	0	36	-1.0	-37.58	322.47	5.24	-32.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010792978	0	34	-1.0	-42.53	304.50	5.30	-37.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010792979	0	31	-1.0	-39.40	293.30	3.72	-35.68
CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010792980	0	43	-1.0	-44.49	351.81	6.37	-38.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300010792981	0	38	-1.0	-43.86	298.34	3.90	-39.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010792982	0	34	-1.0	-40.25	321.57	5.33	-34.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300010792983	0	38	-1.0	-43.40	334.23	4.06	-39.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(NC(C)=O)=CC=C1OC)C(=O)[O-]	REAL300010792984	0	45	-1.0	-52.24	354.51	2.81	-49.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010792985	0	34	-1.0	-47.41	293.02	3.93	-43.48
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010792985	1	33	-2.0	-127.73	297.52	4.66	-123.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010792986	0	34	-1.0	-38.41	317.80	5.12	-33.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010792987	0	34	-1.0	-41.87	294.14	4.57	-37.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010792988	0	46	-1.0	-47.38	396.10	5.46	-41.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010792989	0	46	-1.0	-49.40	383.93	6.26	-43.14
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010792990	0	33	-2.0	-145.35	290.34	4.69	-140.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010792990	1	34	-1.0	-45.66	292.48	4.36	-41.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010792991	0	33	-1.0	-42.24	298.44	2.79	-39.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010792992	0	34	-1.0	-44.07	297.09	4.31	-39.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010792993	0	37	-1.0	-40.62	324.36	6.05	-34.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300010792994	0	37	-1.0	-42.16	326.91	5.33	-36.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(NC(C)=O)=C1)C(=O)[O-]	REAL300010792995	0	45	-1.0	-52.69	369.24	2.40	-50.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010792996	0	38	-1.0	-41.58	333.40	3.94	-37.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300010792997	0	49	-1.0	-47.09	362.12	7.30	-39.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010792998	0	43	-1.0	-50.28	350.25	4.09	-46.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010792999	0	39	-1.0	-42.64	331.22	5.39	-37.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010793000	0	31	-1.0	-39.56	297.97	3.83	-35.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010793542	0	41	-1.0	-44.76	333.53	4.31	-40.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010793543	0	41	-1.0	-46.64	350.94	4.70	-41.94
CC[C@H](C)[C@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010793544	0	46	-1.0	-46.41	347.02	5.30	-41.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010793545	0	49	-1.0	-47.31	384.90	5.60	-41.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010793546	0	42	-1.0	-41.75	351.70	6.18	-35.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010793547	0	41	-1.0	-48.42	342.65	3.04	-45.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010793548	0	42	-1.0	-43.19	344.09	6.16	-37.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010793549	0	39	-1.0	-43.82	331.96	5.25	-38.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010793550	0	34	-1.0	-40.42	314.36	5.26	-35.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793551	0	36	-1.0	-49.76	304.76	5.61	-44.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010793552	0	31	-1.0	-43.63	290.97	2.89	-40.74
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010793552	1	30	-2.0	-128.43	286.24	3.15	-125.28
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010793553	0	44	-1.0	-42.07	336.85	4.95	-37.12
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010793554	0	46	-1.0	-42.27	335.83	5.62	-36.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793555	0	36	-1.0	-41.14	312.63	4.78	-36.36
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010793556	0	38	-1.0	-42.18	334.98	4.01	-38.17
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CN1C	REAL300010793557	0	44	-1.0	-46.53	367.36	5.12	-41.41
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010793558	0	47	-1.0	-50.77	397.59	5.21	-45.56
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C12	REAL300010793559	0	41	-1.0	-47.11	348.66	1.86	-45.25
CCC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)S1	REAL300010793560	0	36	-1.0	-42.83	316.60	2.75	-40.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010793561	0	46	-1.0	-46.79	371.62	5.62	-41.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010793562	0	34	-1.0	-46.31	303.12	4.93	-41.38
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010793562	1	33	-2.0	-141.40	297.90	5.21	-136.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010793563	0	36	-1.0	-52.26	317.04	3.47	-48.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010793564	0	39	-1.0	-39.96	319.12	4.31	-35.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010793565	0	41	-1.0	-43.90	335.61	5.70	-38.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010793566	0	38	-1.0	-43.33	339.53	5.56	-37.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010793567	0	36	-1.0	-40.68	324.74	4.48	-36.20
CC[C@H](C)[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010793568	0	44	-1.0	-46.48	369.94	0.64	-45.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010793569	0	37	-1.0	-42.46	328.27	2.12	-40.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010793570	0	39	-1.0	-44.84	327.88	4.55	-40.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010793571	0	43	-1.0	-44.86	363.34	5.12	-39.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010793572	0	49	-1.0	-45.27	398.10	4.53	-40.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793573	0	33	-1.0	-39.89	308.57	3.91	-35.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010793574	0	52	0.0	-66.51	403.78	5.34	-61.17
CCC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793575	0	43	-1.0	-44.27	352.64	6.28	-37.99
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010793576	0	40	-1.0	-43.03	336.47	5.55	-37.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010793577	0	37	-1.0	-38.91	316.36	5.48	-33.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010793578	0	38	-1.0	-54.99	326.82	4.18	-50.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010793579	0	34	-1.0	-43.97	301.66	4.42	-39.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010793580	0	42	-1.0	-49.94	337.53	4.63	-45.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010793581	0	43	-1.0	-46.35	341.30	5.45	-40.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300010793582	0	37	-1.0	-44.09	298.51	4.89	-39.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010793583	0	48	-1.0	-41.70	386.63	5.32	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010793584	0	38	-1.0	-54.97	306.65	3.31	-51.66
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010793585	0	35	-1.0	-55.63	321.78	5.09	-50.54
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300010793586	0	36	-1.0	-47.68	316.33	2.52	-45.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010793587	0	37	-1.0	-47.41	331.38	3.22	-44.19
CC[C@H](C)[C@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010793588	0	45	-1.0	-43.65	368.17	4.96	-38.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010793589	0	39	-1.0	-46.09	331.77	3.28	-42.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010793590	0	42	-1.0	-45.25	353.76	2.37	-42.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793592	0	37	-1.0	-38.30	339.98	5.62	-32.68
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793593	0	45	-1.0	-42.16	334.39	1.98	-40.18
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793594	0	40	-1.0	-41.71	350.90	4.98	-36.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793595	0	44	-1.0	-42.31	374.04	3.33	-38.98
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010793596	0	44	-1.0	-42.84	356.59	4.84	-38.00
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010793597	0	37	-1.0	-46.78	326.50	3.00	-43.78
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010793598	0	45	-1.0	-45.69	367.14	5.46	-40.23
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010793599	0	42	-1.0	-50.94	328.42	5.69	-45.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010793600	0	37	-1.0	-45.41	318.58	5.04	-40.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010793601	0	37	-1.0	-43.42	319.09	4.79	-38.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010793602	0	37	-1.0	-42.41	330.07	5.43	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010793603	0	38	-1.0	-44.12	316.78	5.08	-39.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010793604	0	45	-1.0	-45.82	355.42	3.81	-42.01
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010793605	0	46	-1.0	-49.31	374.26	4.52	-44.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010793606	0	42	-1.0	-48.23	356.80	5.43	-42.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793607	0	44	-1.0	-42.31	374.04	3.33	-38.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010793608	0	42	-1.0	-46.92	338.91	4.55	-42.37
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010793609	0	37	-1.0	-39.96	330.72	5.39	-34.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010793610	0	44	-1.0	-44.57	353.05	4.58	-39.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010793611	0	40	-1.0	-47.81	342.36	5.40	-42.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010793612	0	38	-1.0	-41.96	320.07	3.46	-38.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010793613	0	45	-1.0	-45.21	374.68	4.26	-40.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010793614	0	48	-1.0	-44.49	389.93	5.34	-39.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010793615	0	43	-1.0	-43.71	336.35	6.10	-37.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010793616	0	48	-1.0	-41.26	380.73	7.44	-33.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793617	0	42	-1.0	-44.46	357.33	6.27	-38.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010793618	0	46	0.0	-60.65	365.77	6.05	-54.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010793619	0	42	-1.0	-47.30	339.91	4.57	-42.73
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C2O1	REAL300010793620	0	49	-1.0	-44.80	410.29	6.84	-37.96
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010793621	0	37	-1.0	-41.58	317.32	4.63	-36.95
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793622	0	46	-1.0	-45.84	376.29	6.58	-39.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010793623	0	34	-1.0	-48.14	323.03	5.25	-42.89
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010793623	1	33	-2.0	-123.92	317.04	5.53	-118.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010793624	0	34	-1.0	-41.00	315.60	4.37	-36.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010793625	0	40	-1.0	-45.38	329.25	4.57	-40.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010793626	0	38	-1.0	-48.79	309.83	3.09	-45.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793627	0	42	-1.0	-52.23	338.72	7.29	-44.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010793628	0	40	-1.0	-43.62	348.41	5.93	-37.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010793629	0	44	-1.0	-37.66	366.36	6.80	-30.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010793630	0	37	-1.0	-38.97	326.52	5.66	-33.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010793631	0	39	-1.0	-49.43	327.77	4.53	-44.90
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010793632	0	40	-1.0	-48.01	336.48	5.54	-42.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010793633	0	42	-1.0	-40.24	337.91	5.98	-34.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010793634	0	34	-1.0	-44.58	319.63	5.31	-39.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010793635	0	44	-1.0	-37.66	366.36	6.80	-30.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010793636	0	33	-1.0	-39.23	304.33	2.84	-36.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010793637	0	34	-1.0	-41.18	323.57	5.23	-35.95
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010793638	0	45	-1.0	-47.25	383.17	3.98	-43.27
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010793639	0	33	-2.0	-131.68	302.91	4.82	-126.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010793640	0	44	-1.0	-48.69	350.17	5.92	-42.77
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300010793641	0	37	-1.0	-44.73	314.60	0.84	-43.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300010793642	0	38	-1.0	-40.92	327.40	5.04	-35.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010793643	0	40	-1.0	-46.82	346.75	4.83	-41.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010793644	0	38	-1.0	-40.50	315.19	4.44	-36.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793645	0	35	-1.0	-42.04	314.92	2.93	-39.11
CC[C@H](C)[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010793646	0	47	-1.0	-44.08	374.74	7.41	-36.67
CC[C@H](C)[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010793647	0	45	-1.0	-45.10	367.87	4.85	-40.25
CC[C@H](C)[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010793648	0	51	-1.0	-55.99	381.61	10.43	-45.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010793649	0	48	-1.0	-45.23	375.73	6.16	-39.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010793650	0	41	-1.0	-45.04	329.18	4.30	-40.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793651	0	39	-1.0	-46.45	337.39	3.01	-43.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010793652	0	35	-1.0	-37.54	324.84	4.98	-32.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793653	0	36	-1.0	-50.44	340.93	5.74	-44.70
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793653	1	35	-2.0	-111.59	340.56	5.45	-106.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010793654	0	41	-1.0	-42.77	344.82	4.68	-38.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010793655	0	40	-1.0	-37.07	352.96	4.57	-32.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010793656	0	41	-1.0	-46.34	333.03	3.88	-42.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010793657	0	42	-1.0	-52.72	358.04	3.90	-48.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010793658	0	38	-1.0	-46.19	332.90	3.79	-42.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010793659	0	37	-1.0	-38.09	328.67	5.15	-32.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010793660	0	45	-1.0	-44.76	378.74	1.24	-43.52
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C2S1	REAL300010793661	0	46	-1.0	-44.93	401.22	7.20	-37.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010793662	0	38	-1.0	-44.59	326.65	5.27	-39.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010793663	0	40	-1.0	-46.73	331.22	3.41	-43.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010793664	0	39	-1.0	-46.76	341.13	-0.28	-47.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010793665	0	40	-1.0	-47.30	332.80	4.43	-42.87
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793666	0	42	-1.0	-64.60	363.28	5.99	-58.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010793667	0	38	-1.0	-43.67	332.52	4.17	-39.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010793668	0	40	-1.0	-43.22	325.63	3.66	-39.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010793669	0	40	-1.0	-47.79	336.96	5.30	-42.49
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010793670	0	34	-1.0	-40.20	317.00	5.23	-34.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010793671	0	40	-1.0	-41.61	320.00	5.77	-35.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010793672	0	34	-1.0	-41.28	321.52	5.38	-35.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010793673	0	44	-1.0	-43.08	348.17	1.45	-41.63
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010793674	0	35	-2.0	-124.59	331.71	5.66	-118.93
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010793674	1	36	-1.0	-38.38	324.84	4.98	-33.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010793675	0	32	-1.0	-38.63	296.87	3.67	-34.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010793676	0	36	-1.0	-38.68	321.27	4.90	-33.78
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010793676	1	35	-2.0	-119.75	328.01	5.54	-114.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010793677	0	34	-1.0	-38.07	310.83	5.37	-32.70
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010793677	1	33	-2.0	-123.41	311.87	5.76	-117.65
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010793678	0	35	-1.0	-47.19	297.01	2.55	-44.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300010793679	0	37	-1.0	-45.90	312.01	1.62	-44.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010793680	0	34	-1.0	-46.62	300.96	4.40	-42.22
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010793681	0	44	-1.0	-45.63	366.42	4.81	-40.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010793682	0	34	-1.0	-38.13	313.91	5.24	-32.89
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010793683	0	37	-1.0	-43.27	326.48	5.35	-37.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010793684	0	37	-1.0	-51.32	332.37	1.65	-49.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010793684	1	36	-2.0	-107.32	329.08	0.52	-106.80
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010793685	0	37	-1.0	-43.28	331.04	5.45	-37.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010793686	0	38	-1.0	-45.52	335.44	1.38	-44.14
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793687	0	43	-1.0	-47.64	345.71	6.37	-41.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010793688	0	42	-1.0	-47.26	337.64	2.75	-44.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010793689	0	38	-1.0	-45.39	340.00	1.48	-43.91
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793690	0	41	-1.0	-46.02	338.76	4.38	-41.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010793691	0	45	-1.0	-50.05	364.22	5.35	-44.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010793692	0	38	-1.0	-37.68	340.99	5.27	-32.41
CC[C@H](C)[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010793693	0	43	-1.0	-39.61	350.93	2.56	-37.05
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300010793694	0	43	-1.0	-43.91	352.65	6.29	-37.62
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010793695	0	41	-1.0	-46.41	355.84	4.70	-41.71
CC[C@H](C)[C@H](NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010793696	0	38	-1.0	-41.90	315.59	1.41	-40.49
CC[C@H](C)[C@H](NS(=O)(=O)N(CC)CC(C)C#N)C(=O)[O-]	REAL300010793697	0	42	-1.0	-40.27	334.87	4.24	-36.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010793698	0	37	-1.0	-48.39	312.97	2.77	-45.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010793699	0	35	-1.0	-48.75	325.38	4.95	-43.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010793700	0	35	-1.0	-45.16	327.58	5.04	-40.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010793701	0	40	-1.0	-39.63	338.45	5.99	-33.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010793702	0	40	-1.0	-46.63	342.22	5.56	-41.07
CC[C@H](C)[C@H](NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010793703	0	48	-1.0	-48.62	394.47	1.43	-47.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010793704	0	44	-1.0	-52.16	358.28	1.75	-50.41
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010793705	0	33	-2.0	-137.56	304.20	5.26	-132.30
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010793705	1	34	-1.0	-43.24	306.30	4.91	-38.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010793706	0	51	-1.0	-50.26	399.33	6.10	-44.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793707	0	43	-1.0	-46.04	372.33	5.62	-40.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010793708	0	44	-1.0	-46.33	380.12	5.77	-40.56
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793709	0	43	-1.0	-54.88	364.66	6.91	-47.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010793710	0	43	-1.0	-54.43	360.49	6.62	-47.81
CC[C@H](C)[C@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010793711	0	41	-1.0	-62.31	324.63	2.92	-59.39
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010793712	0	44	-1.0	-47.69	366.22	3.12	-44.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010793713	0	34	-1.0	-42.85	297.09	4.31	-38.54
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010793713	1	33	-2.0	-135.60	304.06	5.01	-130.59
CC[C@H](C)[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010793714	0	47	-1.0	-41.93	385.15	5.67	-36.26
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C(F)C=C1Cl	REAL300010793715	0	43	-1.0	-41.92	369.48	5.78	-36.14
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC)=C(F)C=C1Cl	REAL300010793715	1	42	-2.0	-121.84	381.40	5.87	-115.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010793716	0	36	-1.0	-41.19	331.53	5.89	-35.30
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010793716	1	35	-2.0	-129.22	329.40	6.23	-122.99
CC[C@H](C)[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010793717	0	43	-1.0	-49.14	347.13	1.29	-47.85
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793718	0	41	-2.0	-129.66	347.31	5.99	-123.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010793719	0	45	-1.0	-50.36	381.78	3.94	-46.42
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C(F)C=C1C	REAL300010793720	0	46	-1.0	-43.27	370.70	5.89	-37.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010793721	0	48	-1.0	-50.36	395.95	2.31	-48.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010793722	0	45	-1.0	-44.42	353.58	3.64	-40.78
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793723	0	47	-1.0	-43.94	374.07	5.81	-38.13
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CC=C1C	REAL300010793724	0	46	-1.0	-44.32	380.12	6.26	-38.06
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010793725	0	37	-1.0	-43.30	318.07	5.33	-37.97
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793726	0	46	-1.0	-46.13	383.23	6.46	-39.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010793727	0	40	-1.0	-43.31	365.65	6.72	-36.59
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010793727	1	39	-2.0	-135.96	352.85	7.15	-128.81
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010793728	0	37	-1.0	-41.14	324.32	6.05	-35.09
CC[C@H](C)[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010793729	0	50	-1.0	-39.40	382.39	5.43	-33.97
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010793730	0	39	-1.0	-43.91	334.77	3.34	-40.57
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010793731	0	40	-1.0	-40.93	343.82	6.05	-34.88
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793732	0	43	-1.0	-45.03	357.12	5.42	-39.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010793733	0	44	-1.0	-47.20	361.62	7.56	-39.64
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793734	0	48	-1.0	-48.35	405.73	1.95	-46.40
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010793735	0	37	-1.0	-45.36	326.47	5.39	-39.97
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CN1C	REAL300010793736	0	46	-1.0	-46.23	389.43	5.36	-40.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010793737	0	40	-1.0	-43.64	354.86	2.02	-41.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010793738	0	38	-1.0	-44.07	331.19	4.97	-39.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010793739	0	37	-1.0	-43.20	320.75	5.09	-38.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010793740	0	36	-1.0	-41.97	312.05	3.59	-38.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010793741	0	37	-1.0	-49.78	325.74	3.54	-46.24
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010793741	1	36	-2.0	-138.85	327.37	3.29	-135.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010793742	0	35	-1.0	-40.52	310.80	3.01	-37.51
CC[C@H](C)[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300010793743	0	42	-1.0	-47.20	333.28	4.04	-43.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010793744	0	47	-1.0	-51.95	378.37	4.98	-46.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010793745	0	37	-2.0	-111.32	319.64	4.12	-107.20
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010793745	1	38	-1.0	-43.96	335.28	2.87	-41.09
CCOC(=O)CC1(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1	REAL300010793746	0	43	-1.0	-43.46	349.79	5.62	-37.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010793747	0	35	-1.0	-38.66	320.86	4.71	-33.95
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010793747	1	34	-2.0	-124.27	327.82	5.39	-118.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010793748	0	45	-1.0	-50.71	367.52	3.77	-46.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010793749	0	49	-1.0	-43.27	397.26	6.91	-36.36
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793750	0	46	-1.0	-53.20	391.08	3.36	-49.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010793751	0	39	-1.0	-42.70	330.75	1.30	-41.40
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010793752	0	46	-1.0	-42.28	355.69	5.14	-37.14
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010793753	0	33	-1.0	-39.81	318.72	3.33	-36.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010793754	0	41	-1.0	-40.91	355.99	4.32	-36.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010793755	0	40	-1.0	-39.91	338.78	5.60	-34.31
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010793756	0	45	-1.0	-43.33	392.83	7.51	-35.82
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010793757	0	43	-1.0	-46.41	361.36	5.54	-40.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010793758	0	36	-1.0	-47.32	303.46	3.95	-43.37
CC[C@H](C)[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010793759	0	44	-1.0	-41.35	330.38	5.44	-35.91
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010793760	0	40	-1.0	-43.35	343.28	5.99	-37.36
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010793761	0	43	-1.0	-43.00	346.60	4.50	-38.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010793762	0	34	-1.0	-40.64	319.98	4.34	-36.30
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010793763	0	38	-1.0	-43.32	330.40	5.06	-38.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010793764	0	47	-1.0	-44.93	394.04	4.45	-40.48
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793765	0	50	-1.0	-44.93	415.90	5.38	-39.55
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010793766	0	49	-1.0	-43.09	370.56	5.59	-37.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010793767	0	42	-1.0	-43.97	353.66	3.49	-40.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010793768	0	38	-1.0	-47.82	326.32	3.63	-44.19
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793769	0	43	-1.0	-41.82	377.56	6.18	-35.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010793770	0	35	-1.0	-37.94	311.04	4.53	-33.41
CC[C@H](C)[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010793771	0	44	-1.0	-40.50	338.85	3.33	-37.17
CC[C@H](C)[C@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010793772	0	50	-1.0	-50.12	414.93	5.91	-44.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300010793773	0	37	-1.0	-43.44	314.46	4.73	-38.71
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010793774	0	36	-1.0	-47.70	336.65	3.93	-43.77
CC[C@H](C)[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010793775	0	47	-1.0	-41.30	339.25	6.06	-35.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010793776	0	43	-1.0	-47.82	352.25	5.75	-42.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010793777	0	35	-1.0	-47.64	308.03	3.79	-43.85
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010793778	0	40	-1.0	-42.01	337.77	5.63	-36.38
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010793779	0	37	-1.0	-46.75	322.27	3.00	-43.75
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010793779	1	36	-2.0	-129.81	317.07	3.22	-126.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793780	0	36	-1.0	-39.74	322.71	6.13	-33.61
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793780	1	35	-2.0	-121.06	329.73	6.06	-115.00
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010793781	0	43	-1.0	-43.98	351.38	5.04	-38.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010793782	0	42	-1.0	-45.00	360.81	5.49	-39.51
CC[C@H](C)[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010793783	0	43	-1.0	-45.23	334.61	5.18	-40.05
CC[C@H](C)[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010793784	0	44	-1.0	-45.94	365.27	4.89	-41.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010793785	0	61	-1.0	-45.20	444.88	10.18	-35.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010793786	0	39	-1.0	-45.83	325.02	5.57	-40.26
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793787	0	46	-1.0	-43.43	386.42	6.43	-37.00
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010793788	0	39	-1.0	-52.41	328.15	3.84	-48.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793789	0	41	-1.0	-43.80	355.65	4.45	-39.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010793790	0	41	-1.0	-43.30	333.56	6.19	-37.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010793791	0	46	-1.0	-45.17	367.71	5.76	-39.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010793792	0	42	-1.0	-45.65	347.95	5.11	-40.54
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010793793	0	37	-1.0	-45.06	320.51	4.57	-40.49
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010793793	1	36	-2.0	-125.24	322.94	4.30	-120.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010793794	0	37	-1.0	-45.73	335.82	5.90	-39.83
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010793794	1	36	-2.0	-131.39	338.07	5.89	-125.50
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010793795	0	37	-1.0	-39.85	335.14	5.48	-34.37
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010793796	0	43	-1.0	-52.37	370.44	2.35	-50.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010793797	0	37	-1.0	-47.41	301.52	4.27	-43.14
CC[C@H](C)[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010793798	0	46	-1.0	-41.55	350.41	5.79	-35.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010793799	0	43	-1.0	-46.18	351.63	7.03	-39.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010793800	0	31	-1.0	-55.82	293.42	3.50	-52.32
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010793800	1	30	-2.0	-134.41	289.83	3.90	-130.51
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010793801	0	43	-1.0	-42.86	367.94	6.06	-36.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010793802	0	49	-1.0	-50.54	409.02	4.70	-45.84
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010793803	0	47	-1.0	-48.14	383.40	4.50	-43.64
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010793804	0	37	-1.0	-48.41	328.54	5.32	-43.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010793805	0	40	-1.0	-51.81	325.34	6.06	-45.75
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(CC)=C1	REAL300010793806	0	52	-1.0	-41.52	379.86	8.49	-33.03
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010793807	0	39	-1.0	-47.55	323.23	4.00	-43.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010793808	0	41	-1.0	-51.29	343.42	3.89	-47.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010793809	0	36	-1.0	-42.87	334.76	4.08	-38.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010793810	0	42	-1.0	-41.63	342.99	4.10	-37.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010793811	0	42	-1.0	-47.76	358.57	2.71	-45.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010793812	0	39	-1.0	-51.26	338.59	-0.96	-52.22
CC[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010793813	0	45	-1.0	-58.21	357.61	1.22	-56.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010793814	0	38	-1.0	-43.17	332.96	4.00	-39.17
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010793815	0	37	-1.0	-41.55	312.06	1.31	-40.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010793816	0	47	-1.0	-46.17	381.34	5.50	-40.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010793817	0	39	-1.0	-47.49	309.22	4.02	-43.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010793818	0	43	-1.0	-46.51	351.82	7.03	-39.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010793819	0	38	-1.0	-39.71	312.76	4.37	-35.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010793820	0	38	-1.0	-39.72	323.09	4.81	-34.91
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010793821	0	43	-1.0	-46.06	369.83	5.64	-40.42
CC[C@H](C)[C@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010793822	0	47	-1.0	-43.37	375.31	5.52	-37.85
CC[C@H](C)[C@H](NS(=O)(=O)CC(CC(C)C)OC)C(=O)[O-]	REAL300010793823	0	46	-1.0	-42.71	356.03	3.97	-38.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010793824	0	38	-1.0	-40.66	303.92	4.29	-36.37
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010793825	0	37	-1.0	-42.27	344.52	5.90	-36.37
CC[C@H](C)[C@H](NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010793826	0	44	-1.0	-42.44	345.16	3.38	-39.06
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010793827	0	37	-1.0	-41.30	338.87	5.84	-35.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010793828	0	37	-1.0	-42.51	327.00	3.25	-39.26
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1[N+](=O)[O-]	REAL300010793829	0	42	-1.0	-48.07	349.83	5.97	-42.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010793830	0	50	-1.0	-44.39	373.77	6.55	-37.84
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010793831	0	41	-1.0	-48.54	347.83	5.94	-42.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300010793832	0	38	-1.0	-44.53	313.91	3.42	-41.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010793833	0	37	-1.0	-42.57	330.66	1.38	-41.19
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(F)=C1	REAL300010793834	0	43	-1.0	-48.36	356.94	5.39	-42.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010793835	0	43	-1.0	-43.10	381.20	5.80	-37.30
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010793836	0	37	-1.0	-39.68	322.32	5.28	-34.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010793837	0	37	-1.0	-42.11	322.88	5.25	-36.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010793838	0	40	-1.0	-48.41	332.43	5.07	-43.34
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010793839	0	43	-1.0	-47.25	373.66	5.62	-41.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793840	0	40	-1.0	-49.70	350.25	4.97	-44.73
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793840	1	39	-2.0	-137.88	356.99	5.61	-132.27
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010793841	0	43	-1.0	-45.66	353.10	5.03	-40.63
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793842	0	41	-1.0	-44.50	338.76	4.37	-40.13
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010793843	0	40	-1.0	-42.35	343.73	5.93	-36.42
CC[C@H](C)[C@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010793844	0	47	-1.0	-41.57	363.05	4.16	-37.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010793845	0	49	-1.0	-47.24	402.05	1.95	-45.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010793846	0	42	-1.0	-48.75	338.58	5.34	-43.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010793847	0	41	-1.0	-48.65	352.51	2.01	-46.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010793848	0	34	-1.0	-41.90	310.03	4.71	-37.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010793849	0	34	-1.0	-51.71	317.91	4.38	-47.33
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010793850	0	43	-1.0	-50.98	333.73	4.41	-46.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010793851	0	44	-1.0	-48.48	362.57	3.09	-45.39
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010793852	0	40	-1.0	-42.41	337.66	5.69	-36.72
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010793853	0	40	-1.0	-45.14	332.65	5.58	-39.56
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010793854	0	40	-1.0	-43.60	339.78	5.92	-37.68
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010793855	0	38	-1.0	-38.22	326.43	4.79	-33.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010793856	0	49	-1.0	-47.07	375.46	3.21	-43.86
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010793857	0	45	-1.0	-46.47	376.40	4.59	-41.88
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010793858	0	41	-1.0	-45.00	361.93	6.76	-38.24
CC[C@H](C)[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300010793859	0	43	-1.0	-40.87	337.89	2.37	-38.50
CC[C@H](C)[C@H](NS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010793860	0	45	-1.0	-41.30	346.98	1.78	-39.52
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010793861	0	37	-1.0	-41.41	328.53	5.39	-36.02
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010793862	0	37	-1.0	-41.76	325.31	5.28	-36.48
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010793863	0	34	-1.0	-38.37	322.22	5.22	-33.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010793864	0	41	-1.0	-50.45	342.51	1.59	-48.86
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793865	0	59	-1.0	-43.33	466.92	9.08	-34.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010793866	0	49	-1.0	-46.86	397.28	6.49	-40.37
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010793867	0	34	-1.0	-39.99	311.36	4.75	-35.24
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010793868	0	40	-1.0	-46.82	346.75	4.83	-41.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010793869	0	48	-1.0	-47.36	392.54	7.15	-40.21
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010793870	0	48	-1.0	-47.85	404.91	7.50	-40.35
CC[C@H](C)[C@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010793871	0	33	-1.0	-45.37	291.13	2.80	-42.57
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010793871	1	32	-2.0	-141.25	294.37	3.23	-138.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010793872	0	46	-1.0	-47.09	376.78	4.06	-43.03
CC[C@H](C)[C@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010793873	0	44	-1.0	-43.55	357.25	5.45	-38.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010793874	0	46	-1.0	-47.45	371.68	5.58	-41.87
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010793875	0	40	-1.0	-48.14	332.86	3.06	-45.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010793876	0	42	-1.0	-43.76	368.43	3.00	-40.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010793877	0	46	-1.0	-46.05	376.50	7.00	-39.05
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010793878	0	45	-1.0	-48.01	369.06	3.18	-44.83
CCOC(CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C1CC1	REAL300010793879	0	44	-1.0	-44.13	350.04	4.43	-39.70
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793880	0	40	-1.0	-49.42	339.76	4.50	-44.92
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010793880	1	39	-2.0	-135.47	344.26	5.21	-130.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010793881	0	45	-1.0	-54.34	374.70	5.68	-48.66
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C1	REAL300010793882	0	47	-1.0	-44.86	374.36	5.75	-39.11
CC[C@H](C)[C@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010793883	0	47	-1.0	-43.23	360.91	4.93	-38.30
CC[C@H](C)[C@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010793884	0	50	-1.0	-41.10	372.41	4.85	-36.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010793885	0	37	-1.0	-43.26	324.10	3.63	-39.63
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(C)C	REAL300010793886	0	53	-1.0	-44.10	415.79	7.14	-36.96
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010793887	0	37	-1.0	-55.76	336.83	3.96	-51.80
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010793888	0	38	-1.0	-40.86	303.93	4.29	-36.57
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010793889	0	42	-1.0	-45.10	347.47	6.52	-38.58
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010793890	0	41	-1.0	-43.58	329.78	3.91	-39.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010793891	0	47	-1.0	-44.00	387.45	6.37	-37.63
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010793892	0	40	-1.0	-46.85	344.03	3.54	-43.31
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010793892	1	39	-2.0	-127.94	336.88	3.86	-124.08
CCC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=CN1CC1CC1	REAL300010793893	0	47	-1.0	-56.51	380.58	6.59	-49.92
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010793894	0	45	-1.0	-51.12	371.57	4.72	-46.40
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010793895	0	37	-1.0	-49.09	331.28	2.66	-46.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010793896	0	45	-1.0	-48.65	388.01	8.24	-40.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010793897	0	37	-1.0	-39.25	326.55	5.66	-33.59
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010793898	0	44	-1.0	-51.81	354.33	7.54	-44.27
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010793899	0	40	-1.0	-45.98	347.86	6.07	-39.91
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010793900	0	41	-1.0	-50.24	354.62	4.78	-45.46
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010793901	0	40	-1.0	-46.36	341.88	5.67	-40.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010793902	0	37	-1.0	-49.60	304.63	4.47	-45.13
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010793903	0	33	-1.0	-47.74	297.16	2.40	-45.34
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010793903	1	32	-2.0	-124.63	308.72	2.52	-122.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010793904	0	43	-1.0	-44.96	351.95	3.21	-41.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010793905	0	40	-1.0	-47.38	314.39	2.22	-45.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010793906	0	41	-1.0	-47.27	362.94	3.45	-43.82
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010793907	0	36	-2.0	-135.59	320.15	3.23	-132.36
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010793907	1	37	-1.0	-49.67	319.55	3.63	-46.04
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)=C(C)C=C1OC	REAL300010793908	0	47	-1.0	-44.20	370.87	5.79	-38.41
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010793909	0	40	-1.0	-40.63	358.62	6.02	-34.61
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010793910	0	42	-1.0	-46.02	353.92	5.11	-40.91
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793911	0	35	-2.0	-142.07	315.12	2.75	-139.32
CC[C@H](C)[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010793911	1	36	-1.0	-52.38	310.70	2.96	-49.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010793912	0	37	-1.0	-39.06	336.11	6.07	-32.99
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010793913	0	43	-1.0	-47.43	334.46	7.14	-40.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010793914	0	41	-1.0	-41.02	358.12	4.04	-36.98
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010793915	0	38	-1.0	-41.94	317.72	5.42	-36.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010793916	0	43	-1.0	-43.03	355.83	3.84	-39.19
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010793917	0	39	-1.0	-50.12	331.27	2.60	-47.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010793918	0	43	-1.0	-52.62	363.78	6.15	-46.47
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010793919	0	34	-1.0	-44.57	299.28	1.68	-42.89
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010793919	1	33	-2.0	-127.64	296.85	1.89	-125.75
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010793920	0	39	-1.0	-43.31	324.97	5.06	-38.25
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010793921	0	40	-1.0	-44.99	338.39	5.50	-39.49
CC[C@H](C)[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010793922	0	46	0.0	-50.65	353.63	5.07	-45.58
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010793923	0	51	0.0	-60.55	387.79	3.33	-57.22
CC[C@H](C)[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010793923	1	50	-1.0	-41.03	383.25	0.95	-40.08
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010793924	0	34	-1.0	-40.22	290.96	1.62	-38.60
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010793925	0	38	-1.0	-41.52	320.89	5.26	-36.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010793926	0	43	-1.0	-45.14	356.59	2.70	-42.44
CCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C(C)=N1	REAL300010793927	0	46	-1.0	-47.46	375.88	4.84	-42.62
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010793928	0	44	-1.0	-41.43	358.61	4.79	-36.64
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010793929	0	44	-1.0	-47.93	353.45	4.82	-43.11
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010793930	0	38	-1.0	-46.68	320.71	4.18	-42.50
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(C)C	REAL300010793931	0	50	-1.0	-45.86	397.40	6.40	-39.46
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010793932	0	46	-1.0	-43.42	365.64	6.40	-37.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010793933	0	35	-1.0	-38.44	311.43	4.55	-33.89
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010793934	0	37	-1.0	-42.31	329.62	5.35	-36.96
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010793935	0	53	-1.0	-42.24	407.45	8.57	-33.67
CC[C@H](C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010793936	0	38	-1.0	-48.64	305.80	3.55	-45.09
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010793937	0	31	-1.0	-48.67	286.78	2.15	-46.52
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010793937	1	30	-2.0	-133.24	286.12	1.85	-131.39
CC[C@H](C)[C@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010793938	0	42	-1.0	-50.66	354.60	4.97	-45.69
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010793939	0	33	-1.0	-47.95	311.27	3.30	-44.65
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010793939	1	32	-2.0	-121.41	304.48	3.68	-117.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010793940	0	33	-1.0	-47.83	292.55	2.32	-45.51
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010793940	1	32	-2.0	-129.28	299.23	3.02	-126.26
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010793941	0	33	-1.0	-48.84	281.95	1.80	-47.04
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010793941	1	32	-2.0	-127.96	288.76	2.53	-125.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010793942	0	37	-1.0	-41.33	317.56	1.83	-39.50
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010793943	0	39	-1.0	-45.77	339.85	4.94	-40.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010793944	0	36	-1.0	-40.79	326.34	4.03	-36.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010793945	0	44	-1.0	-46.12	357.50	4.66	-41.46
CC[C@H](C)[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010793946	0	38	-1.0	-63.28	317.89	1.45	-61.83
CC[C@H](C)[C@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010793947	0	37	-1.0	-42.11	327.73	4.95	-37.16
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010793948	0	33	-1.0	-45.61	312.61	2.47	-43.14
CC[C@H](C)[C@H](NS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010793949	0	40	-1.0	-60.07	330.30	1.78	-58.29
CC[C@H](C)[C@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010793950	0	36	-1.0	-46.72	321.22	5.44	-41.28
CC[C@H](C)[C@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010793951	0	42	-1.0	-56.26	339.71	3.38	-52.88
CC[C@H](C)[C@H](NS(=O)(=O)C1CC(=O)N(CC)C1)C(=O)[O-]	REAL300010793952	0	41	-1.0	-47.48	321.83	2.40	-45.08
CCOC(=O)C1(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CCC1	REAL300010793953	0	43	-1.0	-41.50	341.65	4.68	-36.82
CC[C@H](C)[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010793954	0	45	-1.0	-47.49	367.22	0.66	-46.83
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010793955	0	35	-1.0	-41.25	332.62	3.26	-37.99
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010793956	0	43	-1.0	-43.77	364.56	5.50	-38.27
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010793957	0	36	-2.0	-137.14	329.44	5.58	-131.56
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010793957	1	37	-1.0	-48.55	329.48	5.66	-42.89
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010793958	0	37	-1.0	-42.13	317.47	2.87	-39.26
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010793958	1	36	-2.0	-124.14	311.48	3.02	-121.12
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010793959	0	44	-1.0	-46.94	344.73	4.15	-42.79
CC[C@H](C)[C@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010793960	0	31	-1.0	-42.72	297.73	3.68	-39.04
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010793961	0	46	-1.0	-42.18	355.13	4.11	-38.07
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010793962	0	44	-1.0	-47.61	354.00	4.51	-43.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010793963	0	37	-1.0	-41.93	317.20	2.96	-38.97
CC[C@H](C)[C@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010793964	0	34	-1.0	-48.16	293.93	1.71	-46.45
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010793965	0	36	-1.0	-41.04	319.33	3.15	-37.89
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010793966	0	41	-1.0	-45.35	340.17	4.19	-41.16
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010793967	0	48	-1.0	-49.73	390.26	5.29	-44.44
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010793968	0	34	-2.0	-112.47	286.98	3.19	-109.28
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010793968	1	35	-1.0	-44.57	303.06	2.00	-42.57
C=CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1	REAL300010793969	0	44	-1.0	-43.37	363.79	6.94	-36.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010793970	0	37	-1.0	-51.41	315.43	1.74	-49.67
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010793970	1	36	-2.0	-149.83	312.86	2.10	-147.73
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010793971	0	37	-1.0	-39.06	336.13	6.08	-32.98
CCC1=NN(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010793972	0	40	-1.0	-46.87	330.92	3.11	-43.76
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010793973	0	39	-1.0	-50.77	333.21	4.65	-46.12
CC[C@H](C)[C@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010793974	0	43	-1.0	-64.51	351.01	2.19	-62.32
CC[C@H](C)[C@H]([N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010793974	1	42	-2.0	-164.91	343.00	2.38	-162.53
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(C)C	REAL300010793975	0	56	-1.0	-43.47	437.30	7.92	-35.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1C#N)C(=O)[O-]	REAL300010793976	0	38	-1.0	-44.30	320.61	4.87	-39.43
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=CC=C1C#N)C(=O)[O-]	REAL300010793977	0	38	-1.0	-46.38	315.23	5.23	-41.15
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010793978	0	37	-1.0	-44.95	324.10	5.05	-39.90
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010793979	0	45	-1.0	-58.79	375.90	4.82	-53.97
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010793980	0	38	-1.0	-43.02	335.23	5.86	-37.16
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1C(C)(C)C	REAL300010793981	0	56	-1.0	-46.56	431.44	7.86	-38.70
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)C=C1CC	REAL300010793982	0	50	-1.0	-43.54	398.87	6.60	-36.94
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010793983	0	41	-1.0	-47.49	351.16	6.10	-41.39
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010793984	0	40	-1.0	-40.74	329.99	6.22	-34.52
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010793985	0	48	-1.0	-50.00	369.60	4.08	-45.92
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010793986	0	37	-1.0	-42.58	337.13	5.77	-36.81
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010793987	0	37	-1.0	-44.47	332.17	5.43	-39.04
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010793988	0	44	-1.0	-45.26	363.95	5.97	-39.29
CC[C@H](C)[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010793989	0	40	-1.0	-39.69	342.70	5.95	-33.74
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010793990	0	36	-1.0	-51.48	315.97	3.46	-48.02
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010793991	0	38	-1.0	-49.82	335.89	4.36	-45.46
CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010793991	1	37	-2.0	-137.24	335.72	4.08	-133.16
CC[C@H](C)[C@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010793992	0	44	-1.0	-41.49	360.56	6.43	-35.06
CC[C@H](C)[C@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010793993	0	46	-1.0	-41.97	350.27	5.56	-36.41
CCOC(=O)C1=C(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)N(C)N=C1	REAL300010793994	0	43	-1.0	-48.50	354.72	3.98	-44.52
CC[C@H](C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010793995	0	38	-1.0	-46.04	333.57	5.76	-40.28
CC[C@H](C)[C@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010793996	0	39	-1.0	-41.73	325.45	4.28	-37.45
CC[C@H](C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010793997	0	43	-1.0	-42.50	352.74	6.40	-36.10
CC[C@H](C)[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010793998	0	39	-1.0	-45.33	308.90	0.91	-44.42
CC[C@H](C)[C@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010793999	0	38	-1.0	-45.59	326.71	-0.26	-45.85
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300010794000	0	43	-1.0	-42.97	338.05	6.65	-36.32
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010794912	0	41	-1.0	-51.31	344.80	4.72	-46.59
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010794913	0	41	-1.0	-58.56	362.83	5.09	-53.47
CCCCC(NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010794914	0	46	-1.0	-45.80	364.96	6.27	-39.53
CCCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010794915	0	49	-1.0	-54.70	394.43	5.95	-48.75
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010794916	0	42	-1.0	-52.39	367.46	6.62	-45.77
CCCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010794917	0	41	-1.0	-57.97	354.34	3.46	-54.51
CCCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010794918	0	42	-1.0	-49.50	355.03	6.56	-42.94
CCCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010794919	0	39	-1.0	-41.33	337.21	4.94	-36.39
CCCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010794920	0	34	-1.0	-50.17	326.06	5.67	-44.50
CCCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794921	0	36	-1.0	-48.02	310.08	5.96	-42.06
CCCCC(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010794922	0	31	-1.0	-43.96	303.68	3.36	-40.60
CCCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010794922	1	30	-2.0	-123.79	294.21	3.68	-120.11
CCCCC(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010794923	0	44	-1.0	-41.59	352.87	5.49	-36.10
CCCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010794924	0	46	-1.0	-56.37	348.20	6.03	-50.34
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794925	0	36	-1.0	-50.82	326.50	5.24	-45.58
CCCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010794926	0	38	-1.0	-43.27	350.09	4.54	-38.73
CCCCC(NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010794927	0	44	-1.0	-61.23	382.11	5.60	-55.63
CCCCC(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010794928	0	47	-1.0	-49.10	406.14	5.63	-43.47
CCCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300010794929	0	41	-1.0	-45.68	360.19	2.36	-43.32
CCCCC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300010794930	0	36	-1.0	-41.99	327.05	3.21	-38.78
CCCCC(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010794931	0	46	-1.0	-44.40	381.27	6.03	-38.37
CCCCC(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010794932	0	34	-1.0	-44.92	311.85	5.32	-39.60
CCCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010794932	1	33	-2.0	-136.18	305.88	5.72	-130.46
CCCCC(NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010794933	0	36	-1.0	-51.71	326.43	3.84	-47.87
CCCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010794934	0	39	-1.0	-54.22	347.33	4.85	-49.37
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010794935	0	41	-1.0	-53.95	362.92	5.92	-48.03
CCCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010794936	0	38	-1.0	-50.49	353.68	6.01	-44.48
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010794937	0	36	-1.0	-39.80	336.32	4.98	-34.82
CCCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010794938	0	44	-1.0	-44.71	377.42	1.09	-43.62
CCCCC(NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010794939	0	37	-1.0	-46.96	339.18	2.54	-44.42
CCCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010794940	0	39	-1.0	-53.08	339.51	4.98	-48.10
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010794941	0	43	-1.0	-58.58	374.17	5.53	-53.05
CCCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010794942	0	49	-1.0	-56.96	411.99	5.00	-51.96
CCCCC(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794943	0	33	-1.0	-47.85	319.66	4.35	-43.50
CCCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010794944	0	52	0.0	-85.68	412.78	5.67	-80.01
CCCCC(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300010794945	0	43	-1.0	-56.70	364.77	6.71	-49.99
CCCCC(NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010794946	0	40	-1.0	-42.51	348.35	6.01	-36.50
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010794947	0	37	-1.0	-39.58	331.74	6.05	-33.53
CCCCC(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010794948	0	38	-1.0	-59.35	336.30	4.61	-54.74
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010794949	0	34	-1.0	-49.97	325.62	5.26	-44.71
CCCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010794950	0	42	-1.0	-62.70	350.74	5.11	-57.59
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010794951	0	43	-1.0	-43.24	353.03	5.86	-37.38
CCCCC(NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300010794952	0	37	-1.0	-44.04	311.20	5.37	-38.67
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010794953	0	48	-1.0	-41.99	400.64	5.86	-36.13
CCCCC(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010794954	0	38	-1.0	-56.39	321.26	3.81	-52.58
CCCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010794955	0	35	-1.0	-54.98	330.08	5.45	-49.53
CCCCC(NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300010794956	0	36	-1.0	-60.23	328.47	2.95	-57.28
CCCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010794957	0	37	-1.0	-47.50	343.26	3.68	-43.82
CCCCC(NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010794958	0	45	-1.0	-42.91	378.34	5.39	-37.52
CCCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010794959	0	39	-1.0	-45.54	343.67	3.76	-41.78
CCCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010794960	0	42	-1.0	-55.06	365.45	2.78	-52.28
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010794962	0	37	-1.0	-37.80	352.51	6.10	-31.70
CCCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300010794963	0	45	-1.0	-58.47	358.76	2.43	-56.04
CCCCC(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794964	0	40	-1.0	-40.12	360.51	5.41	-34.71
CCCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794965	0	44	-1.0	-53.56	387.93	3.81	-49.75
CCCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010794966	0	44	-1.0	-56.09	372.89	5.35	-50.74
CCCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010794967	0	37	-1.0	-43.38	336.11	3.45	-39.93
CCCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010794968	0	45	-1.0	-44.98	379.02	5.91	-39.07
CCCCC(NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010794969	0	42	-1.0	-51.77	354.84	5.78	-45.99
CCCCC(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010794970	0	37	-1.0	-53.11	330.71	5.42	-47.69
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010794971	0	37	-1.0	-40.69	341.40	5.65	-35.04
CCCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010794972	0	37	-1.0	-43.09	342.01	5.90	-37.19
CCCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010794973	0	38	-1.0	-58.03	332.04	5.59	-52.44
CCCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010794974	0	45	-1.0	-67.46	365.91	4.38	-63.08
CCCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010794975	0	46	-1.0	-59.73	384.73	3.91	-55.82
CCCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010794976	0	42	-1.0	-46.31	366.48	5.88	-40.43
CCCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010794977	0	44	-1.0	-53.56	387.93	3.81	-49.75
CCCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010794978	0	42	-1.0	-55.03	351.03	4.97	-50.06
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010794979	0	37	-1.0	-39.15	340.89	5.83	-33.32
CCCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010794980	0	44	-1.0	-54.25	381.22	5.10	-49.15
CCCCC(NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010794981	0	40	-1.0	-45.50	349.17	5.76	-39.74
CCCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010794982	0	38	-1.0	-50.19	334.19	3.91	-46.28
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010794983	0	45	-1.0	-43.51	362.86	5.48	-38.03
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010794984	0	48	-1.0	-43.65	402.60	5.92	-37.73
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010794985	0	43	-1.0	-58.36	342.89	6.05	-52.31
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010794986	0	48	-1.0	-57.21	409.22	7.91	-49.30
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010794987	0	42	-1.0	-43.01	365.48	6.65	-36.36
CCCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010794988	0	46	0.0	-84.52	376.62	6.46	-78.06
CCCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010794989	0	42	-1.0	-55.65	351.02	4.97	-50.68
CCCCC(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300010794990	0	49	-1.0	-44.30	423.01	7.30	-37.00
CCCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010794991	0	37	-1.0	-41.55	330.02	5.13	-36.42
CCCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300010794992	0	46	-1.0	-44.95	387.02	7.01	-37.94
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010794993	0	34	-1.0	-47.57	331.73	5.62	-41.95
CCCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010794993	1	33	-2.0	-119.59	331.70	5.42	-114.17
CCCCC(NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010794994	0	34	-1.0	-41.09	328.29	4.85	-36.24
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010794995	0	40	-1.0	-53.24	345.04	5.08	-48.16
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010794996	0	38	-1.0	-52.83	333.54	3.94	-48.89
CCCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010794997	0	42	-1.0	-51.65	350.62	7.78	-43.87
CCCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010794998	0	40	-1.0	-55.60	359.51	6.35	-49.25
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010794999	0	44	-1.0	-39.36	382.93	7.53	-31.83
CCCCC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010795000	0	37	-1.0	-51.82	337.47	6.04	-45.78
CCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010796244	0	38	-1.0	-51.42	323.23	3.94	-47.48
CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010796245	0	38	-1.0	-58.33	341.09	4.33	-54.00
CCCC(NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010796246	0	43	-1.0	-64.02	341.32	5.27	-58.75
CCCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010796247	0	46	-1.0	-54.68	367.36	4.73	-49.95
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010796248	0	39	-1.0	-52.19	345.73	5.86	-46.33
CCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010796249	0	38	-1.0	-58.27	333.37	2.64	-55.63
CCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010796250	0	39	-1.0	-49.59	333.53	5.77	-43.82
CCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010796251	0	36	-1.0	-45.84	334.19	4.28	-41.56
CCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010796252	0	31	-1.0	-50.44	304.80	4.86	-45.58
CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796253	0	33	-1.0	-60.02	291.63	5.26	-54.76
CCCC(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796254	0	28	-1.0	-44.00	282.18	2.58	-41.42
CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796254	1	27	-2.0	-123.33	272.71	2.90	-120.43
CCCC(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010796255	0	41	-1.0	-41.61	331.36	4.71	-36.90
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796256	0	33	-1.0	-41.66	305.67	4.54	-37.12
CCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010796257	0	35	-1.0	-43.32	328.59	3.76	-39.56
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796258	0	41	-1.0	-61.67	360.85	4.81	-56.86
CCCC(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010796259	0	44	-1.0	-50.24	387.97	4.89	-45.35
CCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300010796260	0	38	-1.0	-45.80	338.69	1.58	-44.22
CCCC(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010796261	0	43	-1.0	-44.87	359.75	5.28	-39.59
CCCC(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010796262	0	31	-1.0	-44.94	290.35	4.53	-40.41
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010796262	1	30	-2.0	-135.46	284.38	4.94	-130.52
CCCC(NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010796263	0	33	-1.0	-51.95	305.18	3.04	-48.91
CCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010796264	0	36	-1.0	-54.21	325.81	4.07	-50.14
CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010796265	0	38	-1.0	-53.61	341.09	5.16	-48.45
CCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010796266	0	35	-1.0	-50.37	331.94	5.26	-45.11
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010796267	0	33	-1.0	-39.92	314.83	4.20	-35.72
CCCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010796268	0	41	-1.0	-65.77	360.18	0.32	-65.45
CCCC(NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010796269	0	34	-1.0	-47.25	317.93	1.74	-45.51
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010796270	0	40	-1.0	-58.97	352.91	4.72	-54.25
CCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010796271	0	46	-1.0	-56.95	390.49	4.22	-52.73
CCCC(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796272	0	30	-1.0	-48.11	298.40	3.54	-44.57
CCCC(NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010796273	0	49	0.0	-85.31	391.29	4.90	-80.41
CCCC(NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010796274	0	37	-1.0	-41.54	323.52	5.19	-36.35
CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010796275	0	34	-1.0	-51.37	310.20	5.22	-46.15
CCCC(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010796276	0	35	-1.0	-59.46	315.01	3.82	-55.64
CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010796277	0	31	-1.0	-50.02	304.12	4.48	-45.54
CCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010796278	0	39	-1.0	-62.52	329.00	4.35	-58.17
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CCC)C(=O)[O-])=C1C	REAL300010796279	0	58	-1.0	-54.46	462.32	8.26	-46.20
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010796280	0	40	-1.0	-43.23	331.54	5.08	-38.15
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010796281	0	45	-1.0	-42.08	379.22	5.09	-36.99
CCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010796282	0	32	-1.0	-40.24	310.58	4.81	-35.43
CCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010796283	0	34	-1.0	-47.55	321.76	2.90	-44.65
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010796284	0	46	-1.0	-68.14	371.60	4.22	-63.92
CCCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010796285	0	37	-1.0	-52.52	343.91	6.66	-45.86
CCCC(NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010796286	0	42	-1.0	-43.98	360.17	4.66	-39.32
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010796287	0	36	-1.0	-45.59	322.17	2.98	-42.61
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010796288	0	39	-1.0	-55.34	344.19	1.99	-53.35
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796290	0	34	-1.0	-38.93	333.27	5.36	-33.57
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300010796291	0	42	-1.0	-43.65	340.45	1.71	-41.94
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Br)C=C1C)C(=O)[O-]	REAL300010796292	0	36	-1.0	-55.79	333.54	5.71	-50.08
CCCC(NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796293	0	37	-1.0	-40.19	339.01	4.63	-35.56
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796294	0	41	-1.0	-54.00	366.68	3.00	-51.00
CCCC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796295	0	42	-1.0	-57.66	375.87	5.58	-52.08
CCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010796296	0	41	-1.0	-56.59	351.63	4.55	-52.04
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010796297	0	46	-1.0	-41.23	383.34	5.16	-36.07
CCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010796298	0	34	-1.0	-46.40	313.47	2.71	-43.69
CCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010796299	0	42	-1.0	-44.96	357.52	5.13	-39.83
CCCC(NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010796300	0	39	-1.0	-61.59	334.85	5.10	-56.49
CCCC(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010796301	0	39	-1.0	-41.69	339.47	3.60	-38.09
CCCC(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010796302	0	34	-1.0	-44.44	309.63	4.74	-39.70
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010796303	0	34	-1.0	-41.64	322.03	4.90	-36.74
CCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010796304	0	34	-1.0	-43.06	320.51	5.12	-37.94
CCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010796305	0	35	-1.0	-57.87	310.53	4.81	-53.06
CCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010796306	0	38	-1.0	-55.69	351.02	3.43	-52.26
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010796307	0	42	-1.0	-50.37	349.37	4.09	-46.28
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010796308	0	43	-1.0	-60.24	363.48	3.09	-57.15
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010796309	0	37	-1.0	-52.53	357.22	1.91	-50.62
CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010796310	0	39	-1.0	-46.42	344.98	5.10	-41.32
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796311	0	41	-1.0	-54.00	366.68	3.00	-51.00
CCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010796312	0	39	-1.0	-46.78	330.31	4.26	-42.52
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010796313	0	34	-1.0	-40.36	322.72	5.10	-35.26
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010796314	0	41	-1.0	-54.55	359.91	4.30	-50.25
CCCC(NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010796315	0	37	-1.0	-45.46	327.67	4.98	-40.48
CCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010796316	0	35	-1.0	-50.28	312.69	3.13	-47.15
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010796317	0	42	-1.0	-43.44	341.23	4.67	-38.77
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010796318	0	45	-1.0	-43.70	381.32	5.07	-38.63
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010796319	0	45	-1.0	-57.53	392.18	7.21	-50.32
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796320	0	39	-1.0	-44.48	349.32	5.99	-38.49
CCCC(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010796321	0	31	-1.0	-39.16	305.39	4.56	-34.60
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010796321	1	30	-2.0	-126.39	311.88	5.26	-121.13
CCCC(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010796322	0	43	0.0	-84.32	355.18	5.69	-78.63
CCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010796323	0	39	-1.0	-55.42	327.87	4.18	-51.24
CCCC(NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300010796324	0	46	-1.0	-51.34	400.45	6.46	-44.88
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300010796325	0	43	-1.0	-62.43	365.74	6.15	-56.28
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010796326	0	31	-1.0	-42.22	313.21	4.96	-37.26
CCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010796326	1	30	-2.0	-123.11	305.43	5.22	-117.89
CCCC(NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010796327	0	31	-1.0	-40.14	304.53	4.04	-36.10
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010796328	0	37	-1.0	-53.25	323.29	4.32	-48.93
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010796329	0	35	-1.0	-53.07	312.30	3.14	-49.93
CCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796330	0	39	-1.0	-51.68	329.12	6.99	-44.69
CCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010796331	0	37	-1.0	-55.36	337.78	5.58	-49.78
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010796332	0	41	-1.0	-38.49	357.77	6.64	-31.85
CCCC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010796333	0	34	-1.0	-51.71	316.07	5.27	-46.44
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010796334	0	36	-1.0	-48.37	316.72	4.17	-44.20
CCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010796335	0	37	-1.0	-56.93	327.36	5.18	-51.75
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010796336	0	39	-1.0	-41.27	329.81	5.59	-35.68
CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010796337	0	31	-1.0	-51.56	305.93	4.89	-46.67
CCCC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796338	0	33	-1.0	-40.12	322.09	6.00	-34.12
CCCC([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796338	1	32	-2.0	-125.52	316.99	6.33	-119.19
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010796339	0	41	-1.0	-38.49	357.77	6.64	-31.85
CCCC(NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010796340	0	30	-1.0	-39.46	295.54	2.51	-36.95
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010796341	0	31	-1.0	-48.01	313.11	4.84	-43.17
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010796342	0	42	-1.0	-48.93	373.30	3.61	-45.32
CCCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010796343	0	30	-2.0	-128.70	289.39	4.57	-124.13
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010796344	0	41	-1.0	-48.10	336.48	5.40	-42.70
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010796345	0	37	-1.0	-50.64	336.27	4.44	-46.20
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010796346	0	35	-1.0	-40.43	304.64	4.43	-36.00
CCCC(NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796347	0	32	-1.0	-50.70	305.24	2.55	-48.15
CCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010796348	0	44	-1.0	-56.91	365.38	7.06	-49.85
CCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010796349	0	42	-1.0	-56.28	358.50	4.50	-51.78
CCCC(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010796350	0	48	-1.0	-55.38	373.43	10.24	-45.14
CCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010796351	0	45	-1.0	-54.98	369.51	5.90	-49.08
CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010796352	0	38	-1.0	-58.72	318.64	3.88	-54.84
CCCC(NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796353	0	36	-1.0	-51.32	326.83	2.63	-48.69
CCCC(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010796354	0	32	-1.0	-48.50	317.45	4.66	-43.84
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796355	0	33	-1.0	-50.38	329.34	5.32	-45.06
CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796355	1	32	-2.0	-117.13	324.05	5.72	-111.41
CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010796356	0	38	-1.0	-55.44	333.57	4.29	-51.15
CCCC(NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010796357	0	37	-1.0	-50.32	343.18	3.97	-46.35
CCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010796358	0	38	-1.0	-45.99	323.94	3.68	-42.31
CCCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010796359	0	39	-1.0	-43.04	344.34	3.50	-39.54
CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010796360	0	35	-1.0	-51.76	322.20	3.43	-48.33
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010796361	0	34	-1.0	-50.95	321.30	4.82	-46.13
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010796362	0	42	-1.0	-56.53	368.60	0.75	-55.78
CCCC(NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300010796363	0	43	-1.0	-45.42	392.43	6.88	-38.54
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010796364	0	37	-1.0	-41.01	330.61	3.05	-37.96
CCCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010796365	0	36	-1.0	-53.17	332.31	-0.58	-53.75
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010796366	0	37	-1.0	-51.27	337.30	4.52	-46.75
CCCC(NS(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl)C(=O)[O-]	REAL300010796367	0	39	-1.0	-48.51	354.20	5.68	-42.83
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010796368	0	35	-1.0	-52.25	320.40	3.70	-48.55
CCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010796369	0	37	-1.0	-42.44	315.07	3.31	-39.13
CCCC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010796370	0	37	-1.0	-51.69	344.78	4.93	-46.76
CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010796371	0	37	-1.0	-48.20	328.09	5.03	-43.17
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796372	0	31	-1.0	-49.62	305.02	4.78	-44.84
CCCC(NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010796373	0	37	-1.0	-39.89	307.38	5.34	-34.55
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010796374	0	31	-1.0	-40.55	311.28	5.08	-35.47
CCCC(NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010796375	0	41	-1.0	-42.99	338.55	1.17	-41.82
CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010796376	0	32	-2.0	-123.25	320.15	5.35	-117.90
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010796376	1	33	-1.0	-37.79	325.56	5.04	-32.75
CCCC(NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010796377	0	33	-1.0	-38.02	309.95	4.53	-33.49
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010796377	1	32	-2.0	-113.77	321.26	4.64	-109.13
CCCC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010796378	0	31	-1.0	-38.96	304.30	5.13	-33.83
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010796378	1	30	-2.0	-122.43	300.27	5.46	-116.97
CCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010796379	0	32	-1.0	-56.03	302.17	2.17	-53.86
CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010796380	0	31	-1.0	-45.07	303.99	4.50	-40.57
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010796381	0	41	-1.0	-52.53	358.79	4.50	-48.03
CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010796382	0	31	-1.0	-49.20	307.44	4.94	-44.26
CCCC(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010796383	0	34	-1.0	-42.74	316.86	5.04	-37.70
CCCC(NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010796384	0	34	-1.0	-50.84	322.76	1.33	-49.51
CCCC(NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010796384	1	33	-2.0	-105.88	319.45	0.21	-105.67
CCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010796385	0	34	-1.0	-42.72	321.42	5.14	-37.58
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010796386	0	35	-1.0	-46.64	329.06	1.13	-45.51
CCCC(NS(=O)(=O)C1=CC=CC=C1C(=O)OCC)C(=O)[O-]	REAL300010796387	0	40	-1.0	-49.48	342.98	6.26	-43.22
CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010796388	0	39	-1.0	-47.30	328.20	2.45	-44.85
CCCC(NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010796389	0	35	-1.0	-46.48	333.62	1.23	-45.25
CCCC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300010796390	0	38	-1.0	-44.95	328.80	4.09	-40.86
CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010796391	0	42	-1.0	-47.51	337.80	5.53	-41.98
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010796392	0	35	-1.0	-52.89	333.37	4.95	-47.94
CCCC(NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010796393	0	40	-1.0	-57.33	343.43	2.35	-54.98
CCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010796394	0	38	-1.0	-45.82	346.32	4.39	-41.43
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010796395	0	34	-1.0	-55.23	304.31	2.46	-52.77
CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010796396	0	32	-1.0	-54.29	313.22	4.42	-49.87
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010796397	0	32	-1.0	-44.17	317.43	4.76	-39.41
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010796398	0	37	-1.0	-50.74	327.16	5.45	-45.29
CCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300010796399	0	48	-1.0	-55.20	413.55	3.50	-51.70
CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010796400	0	37	-1.0	-62.66	336.45	5.28	-57.38
CCCC(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010796401	0	45	-1.0	-56.76	385.10	1.09	-55.67
CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010796402	0	41	-1.0	-47.17	350.32	1.15	-46.02
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010796403	0	30	-2.0	-133.92	297.74	4.38	-129.54
CCCC(NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010796403	1	31	-1.0	-43.58	297.37	4.65	-38.93
CCCC(NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010796404	0	48	-1.0	-52.72	390.96	5.81	-46.91
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796405	0	40	-1.0	-50.06	361.90	5.22	-44.84
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010796406	0	41	-1.0	-50.99	370.56	5.45	-45.54
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(CCC)C(=O)[O-])=C1	REAL300010796407	0	40	-1.0	-44.06	355.59	6.62	-37.44
CCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010796408	0	40	-1.0	-43.07	350.02	6.34	-36.73
CCCC(NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010796409	0	41	-1.0	-60.42	356.86	2.77	-57.65
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC)C(=O)[O-]	REAL300010796410	0	45	-1.0	-52.70	386.00	5.25	-47.45
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010796411	0	31	-1.0	-41.72	286.02	4.00	-37.72
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010796411	1	30	-2.0	-133.84	292.49	4.69	-129.15
CCCC(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010796412	0	44	-1.0	-42.34	377.15	5.35	-36.99
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010796413	0	40	-1.0	-40.91	358.40	5.46	-35.45
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010796413	1	39	-2.0	-121.39	369.74	5.57	-115.82
CCCC(NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010796414	0	33	-1.0	-43.71	321.82	5.57	-38.14
CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010796414	1	32	-2.0	-128.43	317.81	5.92	-122.51
CCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010796415	0	40	-1.0	-66.44	338.00	0.93	-65.51
CCCC([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010796416	0	38	-2.0	-130.23	338.07	5.64	-124.59
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010796417	0	42	-1.0	-54.82	371.97	3.65	-51.17
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300010796418	0	43	-1.0	-43.09	361.91	5.61	-37.48
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010796419	0	45	-1.0	-50.85	388.99	2.06	-48.79
CCCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010796420	0	42	-1.0	-46.39	344.90	3.35	-43.04
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300010796421	0	44	-1.0	-43.78	364.43	5.50	-38.28
CCCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796422	0	43	-1.0	-55.16	369.64	5.87	-49.29
CCCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010796423	0	34	-1.0	-53.13	312.64	5.13	-48.00
CCCC(NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300010796424	0	43	-1.0	-59.75	375.82	6.13	-53.62
CCCC(NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796425	0	37	-1.0	-43.84	350.22	6.50	-37.34
CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796425	1	36	-2.0	-136.31	343.66	6.79	-129.52
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796426	0	34	-1.0	-54.47	310.55	5.03	-49.44
CCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010796427	0	47	-1.0	-40.48	377.19	5.16	-35.32
CCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010796428	0	36	-1.0	-55.69	325.64	2.98	-52.71
CCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010796429	0	37	-1.0	-41.00	335.03	5.77	-35.23
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300010796430	0	40	-1.0	-44.31	345.89	5.05	-39.26
CCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010796431	0	41	-1.0	-54.45	350.98	7.20	-47.25
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300010796432	0	45	-1.0	-54.99	395.93	1.58	-53.41
CCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010796433	0	34	-1.0	-55.69	317.41	5.04	-50.65
CCCC(NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300010796434	0	43	-1.0	-59.47	379.82	5.01	-54.46
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010796435	0	37	-1.0	-61.44	347.50	1.69	-59.75
CCCC(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010796436	0	35	-1.0	-45.36	325.14	4.72	-40.64
CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010796437	0	34	-1.0	-52.82	308.97	4.66	-48.16
CCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010796438	0	33	-1.0	-48.79	300.38	3.03	-45.76
CCCC(NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010796439	0	34	-1.0	-49.06	315.46	3.19	-45.87
CCCC([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010796439	1	33	-2.0	-142.62	309.79	3.68	-138.94
CCCC(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796440	0	32	-1.0	-46.93	300.27	2.63	-44.30
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010796441	0	44	-1.0	-52.91	371.75	4.70	-48.21
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010796442	0	34	-2.0	-109.75	309.49	4.15	-105.60
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010796442	1	35	-1.0	-43.56	325.67	2.62	-40.94
CCCC(NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	REAL300010796443	0	40	-1.0	-44.09	332.82	5.07	-39.02
CCCC(NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010796444	0	48	-1.0	-54.41	417.94	4.17	-50.24
CCCC(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010796445	0	32	-1.0	-37.70	309.77	4.39	-33.31
CCCC([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010796445	1	31	-2.0	-117.21	320.72	4.50	-112.71
CCCC(NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010796446	0	42	-1.0	-50.69	358.16	3.46	-47.23
CCCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010796447	0	46	-1.0	-55.09	389.64	6.61	-48.48
CCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300010796448	0	43	-1.0	-57.61	380.69	2.99	-54.62
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010796449	0	36	-1.0	-52.71	323.15	0.98	-51.73
CCCC(NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010796450	0	43	-1.0	-62.31	351.35	4.81	-57.50
CCCC(NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010796451	0	30	-1.0	-38.78	308.76	3.05	-35.73
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010796452	0	38	-1.0	-41.75	347.34	4.03	-37.72
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010796453	0	37	-1.0	-49.72	331.17	5.30	-44.42
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010796454	0	42	-1.0	-51.53	382.42	7.14	-44.39
CCCC(NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010796455	0	40	-1.0	-47.62	354.75	5.27	-42.35
CCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010796456	0	33	-1.0	-47.38	293.38	3.65	-43.73
CCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010796457	0	37	-1.0	-44.43	337.82	5.75	-38.68
CCCC(NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010796458	0	40	-1.0	-62.14	335.77	4.15	-57.99
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010796459	0	31	-1.0	-50.85	310.03	4.01	-46.84
CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010796460	0	35	-1.0	-55.66	325.12	4.78	-50.88
CCCC(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300010796461	0	34	-1.0	-53.84	322.09	5.41	-48.43
CCCC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796462	0	44	-1.0	-47.24	385.39	4.17	-43.07
CCCC(NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796463	0	47	-1.0	-47.14	407.25	5.09	-42.05
CCCC(NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010796464	0	46	-1.0	-42.43	359.46	5.24	-37.19
CCCC(NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010796465	0	39	-1.0	-49.69	343.05	3.13	-46.56
CCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010796466	0	35	-1.0	-44.20	326.47	3.65	-40.55
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796467	0	40	-1.0	-44.66	371.17	5.92	-38.74
CCCC(NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010796468	0	32	-1.0	-49.03	303.66	4.19	-44.84
CCCC(NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010796469	0	47	-1.0	-50.07	406.14	5.63	-44.44
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010796470	0	33	-1.0	-46.97	323.82	3.53	-43.44
CCCC(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010796471	0	44	-1.0	-57.01	334.29	5.76	-51.25
CCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010796472	0	40	-1.0	-56.40	341.59	5.38	-51.02
CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010796473	0	32	-1.0	-47.27	298.50	3.47	-43.80
CCCC(NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010796474	0	37	-1.0	-58.45	332.80	5.34	-53.11
CCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010796475	0	34	-1.0	-46.27	312.25	2.64	-43.63
CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010796475	1	33	-2.0	-128.29	309.04	2.98	-125.31
CCCC(NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796476	0	33	-1.0	-40.20	317.67	5.90	-34.30
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796476	1	32	-2.0	-125.30	312.57	6.23	-119.07
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010796477	0	40	-1.0	-43.26	340.15	4.67	-38.59
CCCC(NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010796478	0	39	-1.0	-54.10	353.41	5.14	-48.96
CCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010796479	0	40	-1.0	-54.07	330.23	4.92	-49.15
CCCC(NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010796480	0	41	-1.0	-45.30	355.65	4.58	-40.72
CCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010796481	0	58	-1.0	-44.18	437.03	9.82	-34.36
CCCC(NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010796482	0	36	-1.0	-48.18	332.25	4.92	-43.26
CCCC(NS(=O)(=O)CC1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010796483	0	43	-1.0	-57.73	377.05	6.08	-51.65
CCCC(NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010796484	0	36	-1.0	-50.24	316.66	3.52	-46.72
CCCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796485	0	38	-1.0	-42.96	346.02	4.15	-38.81
CCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010796486	0	43	-1.0	-45.98	361.65	5.53	-40.45
CCCC(NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010796487	0	39	-1.0	-53.64	337.26	4.74	-48.90
CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010796488	0	34	-1.0	-53.21	314.41	4.27	-48.94
CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010796488	1	33	-2.0	-128.11	306.42	4.58	-123.53
CCCC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796489	0	34	-1.0	-54.70	318.29	5.35	-49.35
CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796489	1	33	-2.0	-135.67	321.55	6.15	-129.52
CCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010796490	0	45	-1.0	-57.05	399.13	2.25	-54.80
CCCC(NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010796490	1	44	-2.0	-97.52	396.11	2.32	-95.20
CCCC(NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010796491	0	34	-1.0	-40.25	327.14	5.19	-35.06
CCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010796492	0	40	-1.0	-51.74	360.82	2.03	-49.71
CCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010796493	0	40	-1.0	-54.97	344.25	6.69	-48.28
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010796494	0	40	-1.0	-55.19	357.52	5.68	-49.51
CCCC(NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010796495	0	46	-1.0	-58.70	398.38	4.34	-54.36
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010796496	0	44	-1.0	-57.23	373.48	4.12	-53.11
CCCC(NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010796497	0	34	-1.0	-58.81	319.47	4.94	-53.87
CCCC(NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010796498	0	37	-1.0	-49.84	328.39	6.15	-43.69
CCCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300010796499	0	49	-1.0	-42.55	375.38	8.10	-34.45
CCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300010796500	0	50	-1.0	-51.07	418.28	4.55	-46.52
CCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010796501	0	38	-1.0	-48.93	331.54	3.56	-45.37
CCCC(NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010796502	0	33	-1.0	-55.89	325.10	3.67	-52.22
CCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010796503	0	39	-1.0	-41.53	333.37	3.80	-37.73
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010796504	0	39	-1.0	-47.13	348.96	2.40	-44.73
CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010796505	0	36	-1.0	-49.93	331.98	-1.20	-51.13
CCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010796506	0	42	-1.0	-54.45	346.28	0.88	-53.57
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010796507	0	35	-1.0	-50.02	322.26	3.64	-46.38
CCCC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010796508	0	34	-1.0	-41.24	312.90	1.38	-39.86
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010796509	0	44	-1.0	-45.74	371.62	4.93	-40.81
CCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010796510	0	40	-1.0	-45.72	346.33	6.80	-38.92
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010796511	0	35	-1.0	-39.50	301.36	4.16	-35.34
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010796512	0	35	-1.0	-39.63	313.29	4.33	-35.30
CCCC(NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010796513	0	40	-1.0	-55.83	359.16	5.27	-50.56
CCCC(NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010796514	0	44	-1.0	-42.04	364.62	5.71	-36.33
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010796515	0	35	-1.0	-40.75	296.02	3.70	-37.05
CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010796516	0	34	-1.0	-56.04	335.41	5.55	-50.49
CCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010796517	0	34	-1.0	-42.36	333.56	5.59	-36.77
CCCC(NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010796518	0	34	-1.0	-47.38	316.32	2.88	-44.50
CCCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796519	0	39	-1.0	-59.14	339.15	5.61	-53.53
CCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010796520	0	47	-1.0	-44.34	366.00	5.95	-38.39
CCCC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010796521	0	38	-1.0	-48.72	353.23	6.22	-42.50
CCCC(NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010796522	0	38	-1.0	-61.76	342.87	5.63	-56.13
CCCC(NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010796523	0	34	-1.0	-48.18	320.05	0.99	-47.19
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1F)C(=O)[O-]	REAL300010796524	0	40	-1.0	-50.83	359.16	5.45	-45.38
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796525	0	40	-1.0	-42.39	369.03	5.45	-36.94
CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010796526	0	34	-1.0	-55.61	317.11	5.00	-50.61
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010796527	0	34	-1.0	-50.52	312.22	4.88	-45.64
CCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010796528	0	37	-1.0	-53.05	325.92	4.83	-48.22
CCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010796529	0	40	-1.0	-54.53	363.22	5.23	-49.30
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796530	0	37	-1.0	-45.85	350.90	4.99	-40.86
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796530	1	36	-2.0	-132.16	349.88	4.72	-127.44
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010796531	0	40	-1.0	-45.90	356.28	5.15	-40.75
CCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010796532	0	38	-1.0	-52.55	328.11	4.01	-48.54
CCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010796533	0	37	-1.0	-40.84	329.22	5.65	-35.19
CCCC(NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010796534	0	44	-1.0	-42.23	355.05	3.85	-38.38
CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010796535	0	46	-1.0	-48.17	391.66	1.57	-46.60
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010796536	0	39	-1.0	-58.72	329.09	5.06	-53.66
CCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010796537	0	38	-1.0	-48.62	342.91	1.69	-46.93
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010796538	0	31	-1.0	-47.75	299.33	4.35	-43.40
CCCC(NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010796539	0	31	-1.0	-50.24	301.15	4.07	-46.17
CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010796540	0	40	-1.0	-49.92	337.12	4.18	-45.74
CCCC(NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010796541	0	41	-1.0	-48.29	350.34	2.80	-45.49
CCCC(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796542	0	37	-1.0	-55.39	328.30	5.34	-50.05
CCCC(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010796543	0	37	-1.0	-45.05	323.86	5.29	-39.76
CCCC(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010796544	0	37	-1.0	-44.73	334.31	5.68	-39.05
CCCC(NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010796545	0	35	-1.0	-38.22	316.83	4.31	-33.91
CCCC(NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010796546	0	46	-1.0	-46.97	365.84	2.71	-44.26
CCCC(NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010796547	0	42	-1.0	-46.63	368.15	4.30	-42.33
CCCC(NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010796548	0	38	-1.0	-55.31	341.96	5.83	-49.48
CCCC(NS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010796549	0	42	-1.0	-42.59	340.57	1.61	-40.98
CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010796550	0	34	-1.0	-41.41	319.89	5.12	-36.29
CCCC(NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010796551	0	35	-1.0	-43.51	320.02	0.90	-42.61
CCCC([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010796551	1	34	-2.0	-121.27	331.35	1.00	-120.27
CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010796552	0	34	-1.0	-41.81	316.67	4.99	-36.82
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010796553	0	31	-1.0	-38.36	313.56	4.94	-33.42
CCCC(NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010796554	0	38	-1.0	-52.12	331.47	1.24	-50.88
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300010796555	0	56	-1.0	-53.06	457.31	8.70	-44.36
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010796556	0	46	-1.0	-55.41	386.86	6.10	-49.31
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CCC)C(=O)[O-]	REAL300010796557	0	41	-1.0	-40.98	352.60	5.90	-35.08
CCCC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010796558	0	31	-1.0	-47.60	303.74	4.45	-43.15
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010796559	0	37	-1.0	-50.64	336.27	4.44	-46.20
CCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010796560	0	45	-1.0	-47.29	383.57	6.86	-40.43
CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010796561	0	45	-1.0	-51.79	394.21	7.14	-44.65
CCCC(NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010796562	0	30	-1.0	-58.98	289.43	2.73	-56.25
CCCC([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010796562	1	29	-2.0	-137.57	279.57	3.11	-134.46
CCCC(NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010796563	0	43	-1.0	-59.65	367.12	3.69	-55.96
CCCC(NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796564	0	41	-1.0	-55.11	358.44	4.89	-50.22
CCCC(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010796565	0	43	-1.0	-45.80	359.60	5.26	-40.54
CCCC(NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010796566	0	37	-1.0	-46.37	319.92	2.74	-43.63
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010796567	0	39	-1.0	-52.57	357.72	2.63	-49.94
CCCC(NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010796568	0	43	-1.0	-55.63	366.37	6.56	-49.07
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010796569	0	42	-1.0	-58.06	361.44	2.87	-55.19
CCCC(NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796570	0	37	-1.0	-46.65	342.70	4.59	-42.06
CCCC([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010796570	1	36	-2.0	-131.28	339.55	4.28	-127.00
CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010796571	0	42	-1.0	-58.57	366.87	5.33	-53.24
CCCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300010796572	0	44	-1.0	-45.95	367.83	5.50	-40.45
CCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010796573	0	44	-1.0	-41.21	350.14	4.09	-37.12
CCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010796574	0	47	-1.0	-55.87	368.56	4.78	-51.09
CCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010796575	0	34	-1.0	-51.40	317.40	3.33	-48.07
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300010796576	0	50	-1.0	-53.80	408.45	6.82	-46.98
CCCC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010796577	0	34	-1.0	-55.30	327.27	3.66	-51.64
CCCC(NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010796578	0	35	-1.0	-53.69	311.60	3.72	-49.97
CCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010796579	0	39	-1.0	-50.33	337.20	6.16	-44.17
CCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010796580	0	38	-1.0	-50.62	321.01	3.55	-47.07
CCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010796581	0	44	-1.0	-53.73	374.73	5.89	-47.84
CCCC(NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010796582	0	37	-1.0	-53.80	335.66	3.20	-50.60
CCCC([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010796582	1	36	-2.0	-125.07	327.70	3.50	-121.57
CCCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300010796583	0	44	-1.0	-54.61	362.89	6.37	-48.24
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796584	0	37	-1.0	-45.27	342.43	5.95	-39.32
CCCC(NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010796585	0	42	-1.0	-58.41	361.97	4.33	-54.08
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010796586	0	34	-1.0	-47.12	318.07	2.48	-44.64
CCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010796587	0	42	-1.0	-56.97	377.59	7.86	-49.11
CCCC(NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010796588	0	34	-1.0	-52.17	316.32	5.24	-46.93
CCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010796589	0	41	-1.0	-50.69	343.96	7.25	-43.44
CCCC(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300010796590	0	51	-1.0	-47.10	433.14	8.74	-38.36
CCCC(NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010796591	0	37	-1.0	-45.27	338.26	5.75	-39.52
CCCC(NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010796592	0	38	-1.0	-58.67	345.59	4.40	-54.27
CCCC(NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010796593	0	37	-1.0	-45.77	332.26	5.36	-40.41
CCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010796594	0	34	-1.0	-49.41	295.96	4.20	-45.21
CCCC(NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010796595	0	30	-1.0	-48.31	299.40	2.49	-45.82
CCCC([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010796595	1	29	-2.0	-124.84	292.22	2.79	-122.05
CCCC(NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010796596	0	40	-1.0	-50.96	341.57	2.82	-48.14
CCCC(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010796597	0	37	-1.0	-47.87	313.06	1.88	-45.99
CCCC(NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010796598	0	38	-1.0	-46.82	353.32	3.13	-43.69
CCCC([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010796599	0	33	-2.0	-142.56	304.58	3.12	-139.44
CCCC(NS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010796599	1	34	-1.0	-58.30	310.33	3.28	-55.02
CCCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300010796600	0	44	-1.0	-55.67	360.31	5.37	-50.30
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010796601	0	37	-1.0	-49.79	347.98	5.66	-44.13
CCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010796602	0	39	-1.0	-47.16	345.18	4.83	-42.33
CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796603	0	32	-2.0	-140.94	303.40	2.43	-138.51
CCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796603	1	33	-1.0	-60.98	305.08	2.81	-58.17
CCCC(NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010796604	0	34	-1.0	-51.40	324.20	5.50	-45.90
CCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010796605	0	40	-1.0	-47.35	325.71	6.87	-40.48
CCCC(NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010796606	0	38	-1.0	-39.76	344.26	3.70	-36.06
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010796607	0	40	-1.0	-54.87	348.01	3.49	-51.38
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010796608	0	36	-1.0	-52.82	320.61	2.24	-50.58
CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010796609	0	40	-1.0	-50.88	351.07	6.07	-44.81
CCCC(NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010796610	0	31	-1.0	-44.42	289.86	1.40	-43.02
CCCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010796610	1	30	-2.0	-126.94	285.23	1.57	-125.37
CCCC(NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010796611	0	36	-1.0	-44.02	317.70	4.82	-39.20
CCCC(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010796612	0	37	-1.0	-44.65	327.74	5.31	-39.34
CCCC(NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010796613	0	48	0.0	-80.46	378.42	2.99	-77.47
CCCC(NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010796613	1	47	-1.0	-56.84	374.60	0.46	-56.38
CCCC(NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010796614	0	31	-1.0	-42.31	301.38	1.99	-40.32
CCCC(NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010796615	0	31	-1.0	-40.75	302.93	2.30	-38.45
CCCC(NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010796616	0	35	-1.0	-40.06	310.73	5.04	-35.02
CCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010796617	0	40	-1.0	-42.73	344.71	2.37	-40.36
CCCCN1C=C(S(=O)(=O)NC(CCC)C(=O)[O-])C(C)=N1	REAL300010796618	0	43	-1.0	-52.67	364.63	4.43	-48.24
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010796619	0	41	-1.0	-40.99	347.23	4.62	-36.37
CCCC(NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796620	0	41	-1.0	-48.16	345.10	4.50	-43.66
CCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010796621	0	35	-1.0	-51.92	310.65	3.93	-47.99
CCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010796622	0	47	-1.0	-54.05	386.70	6.03	-48.02
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010796623	0	43	-1.0	-54.17	355.20	6.01	-48.16
CCCC(NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010796624	0	32	-1.0	-38.25	302.76	4.27	-33.98
CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010796625	0	34	-1.0	-56.02	320.27	5.02	-51.00
CCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010796626	0	50	-1.0	-56.54	402.24	8.29	-48.25
CCCC(NS(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C)C(=O)[O-]	REAL300010796627	0	36	-1.0	-58.11	340.82	3.95	-54.16
CCCC(NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010796628	0	28	-1.0	-55.08	274.28	1.67	-53.41
CCCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010796628	1	27	-2.0	-137.06	267.65	2.20	-134.86
CCCC(NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010796629	0	39	-1.0	-60.41	345.48	4.60	-55.81
CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010796630	0	30	-1.0	-39.97	299.67	2.94	-37.03
CCCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010796630	1	29	-2.0	-123.24	295.29	3.32	-119.92
CCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010796631	0	30	-1.0	-48.36	294.82	2.41	-45.95
CCCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010796631	1	29	-2.0	-124.49	287.62	2.71	-121.78
CCCC(NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010796632	0	34	-1.0	-42.60	322.36	1.60	-41.00
CCCC(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010796633	0	36	-1.0	-43.89	330.89	4.66	-39.23
CCCC(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010796634	0	33	-1.0	-50.41	316.46	3.65	-46.76
CCCC(NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796635	0	41	-1.0	-46.68	348.92	4.40	-42.28
CCCC(NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010796636	0	34	-1.0	-39.85	314.76	4.61	-35.24
CCCC(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010796637	0	30	-1.0	-44.72	301.29	2.12	-42.60
CCCC(NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010796638	0	33	-1.0	-44.39	331.30	3.95	-40.44
CCCC(NS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010796639	0	37	-1.0	-69.50	322.93	1.43	-68.07
CCCC(NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010796640	0	33	-1.0	-46.19	311.59	5.13	-41.06
CCCC(NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010796641	0	39	-1.0	-54.95	324.58	2.89	-52.06
CCCC(NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	REAL300010796642	0	40	-1.0	-47.89	337.49	4.64	-43.25
CCCC(NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010796643	0	42	-1.0	-65.08	362.47	0.32	-64.76
CCCC(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010796644	0	32	-1.0	-48.45	322.53	2.92	-45.53
CCCC(NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010796645	0	40	-1.0	-57.98	355.19	5.15	-52.83
CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010796646	0	33	-2.0	-135.67	321.40	5.11	-130.56
CCCC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010796646	1	34	-1.0	-47.97	323.12	4.96	-43.01
CCCC(NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010796647	0	34	-1.0	-41.84	307.65	2.49	-39.35
CCCC([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010796647	1	33	-2.0	-125.09	301.48	2.82	-122.27
CCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010796648	0	41	-1.0	-50.17	333.07	3.84	-46.33
CCCC(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010796649	0	28	-1.0	-51.63	284.29	3.30	-48.33
CCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010796650	0	43	-1.0	-57.13	342.06	3.89	-53.24
CCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010796651	0	41	-1.0	-46.69	342.94	4.16	-42.53
CCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010796652	0	34	-1.0	-41.45	307.43	2.65	-38.80
CCCC(NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010796653	0	31	-1.0	-51.72	300.31	1.93	-49.79
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010796654	0	33	-1.0	-42.42	310.28	2.83	-39.59
CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010796655	0	38	-1.0	-46.34	334.71	3.95	-42.39
CCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010796656	0	45	-1.0	-43.76	383.71	5.04	-38.72
C=CCCC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1	REAL300010796657	0	41	-1.0	-53.70	354.23	6.54	-47.16
CCCC(NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796658	0	34	-1.0	-65.26	305.00	1.34	-63.92
CCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796658	1	33	-2.0	-148.17	301.23	1.81	-146.36
CCCC(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010796659	0	34	-1.0	-51.83	325.49	5.65	-46.18
CCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010796660	0	36	-1.0	-53.48	322.75	4.25	-49.23
CCCC(NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010796661	0	40	-1.0	-61.18	341.39	1.89	-59.29
CCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300010796662	0	53	-1.0	-52.18	429.95	7.60	-44.58
CCCC(NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010796663	0	34	-1.0	-52.46	313.41	4.67	-47.79
CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010796664	0	42	-1.0	-45.30	366.54	4.53	-40.77
CCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010796665	0	35	-1.0	-42.11	324.17	5.53	-36.58
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300010796666	0	53	-1.0	-54.16	421.01	7.48	-46.68
CCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1CC	REAL300010796667	0	47	-1.0	-53.26	391.28	6.30	-46.96
CCCC(NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010796668	0	38	-1.0	-59.32	340.78	5.72	-53.60
CCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010796669	0	37	-1.0	-39.83	317.73	5.77	-34.06
CCCC(NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010796670	0	45	-1.0	-49.88	359.94	3.78	-46.10
CCCC(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010796671	0	34	-1.0	-44.62	331.67	5.53	-39.09
CCCC(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010796672	0	34	-1.0	-44.11	319.21	5.09	-39.02
CCCC(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010796673	0	41	-1.0	-45.27	355.15	5.68	-39.59
CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010796674	0	37	-1.0	-55.54	337.71	5.67	-49.87
CCCC(NS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010796675	0	33	-1.0	-44.42	304.34	3.10	-41.32
CCCC(NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010796676	0	35	-1.0	-47.48	324.00	4.02	-43.46
CCCC([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010796676	1	34	-2.0	-142.45	319.21	4.33	-138.12
CCCC(NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010796677	0	41	-1.0	-55.79	352.37	6.00	-49.79
CCCC(NS(=O)(=O)C1=C(C(=O)OCC)C=NN1C)C(=O)[O-]	REAL300010796678	0	40	-1.0	-46.62	341.78	3.66	-42.96
CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010796679	0	35	-1.0	-54.07	324.13	5.44	-48.63
CCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010796680	0	36	-1.0	-44.96	298.64	1.10	-43.86
CCCC(NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010796681	0	35	-1.0	-43.72	317.39	-0.58	-44.30
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010796682	0	43	-1.0	-53.45	382.39	5.44	-48.01
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010796683	0	44	-1.0	-57.30	374.36	4.46	-52.84
CCCC(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010796684	0	40	-1.0	-47.94	338.49	4.51	-43.43
CCCC(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010796685	0	31	-1.0	-43.37	286.89	3.98	-39.39
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010796686	0	36	-1.0	-60.15	327.98	2.53	-57.62
CCCC(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010796687	0	37	-1.0	-41.49	324.71	5.33	-36.16
CCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010796688	0	47	-1.0	-52.06	391.24	6.56	-45.50
CCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010796689	0	36	-1.0	-50.79	314.25	4.38	-46.41
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010796690	0	51	-1.0	-60.21	402.20	6.20	-54.01
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010796691	0	38	-1.0	-57.87	329.65	3.54	-54.33
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010796692	0	45	-1.0	-54.40	372.54	3.84	-50.56
CCCC(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010796693	0	46	-1.0	-75.57	387.67	6.41	-69.16
CCCC(NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300010796694	0	45	-1.0	-75.14	377.81	5.71	-69.43
CCCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010796695	0	38	-2.0	-95.87	322.55	3.60	-92.27
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300010796696	0	46	-1.0	-51.95	405.64	7.65	-44.30
CCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010796697	0	38	-1.0	-54.56	327.52	3.48	-51.08
CCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010796698	0	38	-1.0	-44.22	319.87	3.55	-40.67
CCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010796699	0	41	-1.0	-42.04	331.52	4.15	-37.89
CCCC(NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010796700	0	43	-1.0	-53.03	365.77	6.59	-46.44
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OCC)C(=O)[O-]	REAL300010796701	0	44	-1.0	-44.11	361.86	5.36	-38.75
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010796702	0	41	-1.0	-58.36	346.68	4.48	-53.88
CCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010796703	0	42	-1.0	-45.67	338.22	1.73	-43.94
CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010796704	0	37	-1.0	-45.84	342.39	4.74	-41.10
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010796705	0	37	-1.0	-55.89	327.47	1.01	-54.88
CCCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010796706	0	27	-2.0	-127.63	270.92	2.83	-124.80
CCCC(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010796706	1	28	-1.0	-53.39	278.86	2.53	-50.86
CCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010796707	0	38	-1.0	-47.38	317.09	3.79	-43.59
CCCC(NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010796708	0	35	-1.0	-39.96	323.68	3.38	-36.58
CCCC(NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010796709	0	35	-1.0	-41.95	305.05	2.86	-39.09
CCCCCOC1=CC=C(S(=O)(=O)NC(CCC)C(=O)[O-])C=C1C(C)C	REAL300010796710	0	56	-1.0	-53.80	451.45	8.38	-45.42
CCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010796711	0	47	-1.0	-57.34	369.25	5.24	-52.10
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010796712	0	41	-1.0	-42.42	338.73	5.36	-37.06
CCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010796713	0	54	-1.0	-56.23	442.43	6.24	-49.99
CCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010796714	0	39	-1.0	-48.75	333.42	4.39	-44.36
CCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010796715	0	39	-1.0	-44.23	346.47	3.51	-40.72
CCCC(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010796716	0	39	-1.0	-47.31	346.06	6.05	-41.26
CCCC(NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010796717	0	35	-1.0	-45.69	314.27	4.40	-41.29
CCCC([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010796717	1	34	-2.0	-128.68	315.06	4.19	-124.49
CCCC(NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010796718	0	34	-1.0	-53.93	318.85	5.09	-48.84
CCCC(NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010796719	0	34	-1.0	-42.48	319.69	5.78	-36.70
CCCC(NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010796720	0	36	-1.0	-57.39	327.77	2.63	-54.76
CCCC(NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1Br)C(=O)[O-]	REAL300010796721	0	37	-1.0	-54.67	340.88	4.95	-49.72
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010796722	0	48	-1.0	-64.49	385.66	5.81	-58.68
CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010796723	0	37	-1.0	-46.61	328.31	4.44	-42.17
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010796724	0	45	-1.0	-72.90	376.19	5.39	-67.51
CCCC(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010796725	0	31	-1.0	-47.50	299.43	1.94	-45.56
CCCC(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796726	0	33	-1.0	-48.25	310.68	2.92	-45.33
CCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300010796727	0	36	-1.0	-64.27	318.17	3.39	-60.88
CCCC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010796728	0	35	-1.0	-45.77	317.46	3.86	-41.91
CCCC(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010796729	0	34	-1.0	-55.68	322.71	3.56	-52.12
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010796730	0	34	-1.0	-46.38	314.39	5.26	-41.12
CCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010796731	0	38	-1.0	-46.43	328.28	3.60	-42.83
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010796732	0	40	-1.0	-42.43	327.15	6.04	-36.39
CCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010796733	0	39	-1.0	-54.83	333.64	3.70	-51.13
CCCC(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010796734	0	40	-1.0	-55.67	343.86	1.02	-54.65
CCCC(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010796735	0	32	-1.0	-48.52	317.50	4.66	-43.86
CCCC(NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010796736	0	39	-1.0	-49.81	337.25	4.06	-45.75
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010796737	0	33	-2.0	-119.45	326.95	3.57	-115.88
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010796737	1	34	-1.0	-51.00	336.86	3.20	-47.80
CCCC(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010796738	0	28	-1.0	-51.38	297.93	3.99	-47.39
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010796739	0	44	-1.0	-53.48	360.24	4.57	-48.91
CCCC(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010796740	0	35	-1.0	-46.93	327.13	5.67	-41.26
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010796741	0	38	-1.0	-47.57	333.89	3.71	-43.86
CCCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010796742	0	33	-2.0	-99.71	299.15	4.06	-95.65
CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010796743	0	35	-1.0	-55.43	316.00	3.36	-52.07
CCCC(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010796744	0	35	-1.0	-55.28	332.34	4.36	-50.92
CCCC(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010796745	0	34	-1.0	-45.79	304.60	3.02	-42.77
CCCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010796745	1	33	-2.0	-135.92	304.55	2.76	-133.16
CCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010796746	0	36	-1.0	-55.41	322.32	2.25	-53.16
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010796747	0	31	-2.0	-104.42	314.83	3.51	-100.91
CCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010796748	0	37	-1.0	-40.65	325.83	5.76	-34.89
CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010796749	0	37	-1.0	-49.87	346.00	4.92	-44.95
CCCC(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010796750	0	34	-1.0	-45.34	311.45	4.22	-41.12
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010796751	0	41	-1.0	-53.81	347.28	4.05	-49.76
CCCC(NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010796752	0	39	-1.0	-53.73	329.26	3.46	-50.27
CCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010796753	0	49	-1.0	-43.30	384.75	7.80	-35.50
CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010796754	0	37	-1.0	-40.95	349.00	5.71	-35.24
CCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010796755	0	41	-1.0	-46.96	351.79	4.49	-42.47
CCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010796756	0	35	-1.0	-45.44	307.65	4.80	-40.64
CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010796757	0	42	-1.0	-41.17	355.45	6.80	-34.37
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010796758	0	44	-1.0	-60.27	366.59	2.19	-58.08
CCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010796759	0	40	-1.0	-71.79	340.44	5.18	-66.61
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010796760	0	37	-1.0	-52.76	334.04	2.12	-50.64
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010796761	0	32	-1.0	-44.44	302.59	4.21	-40.23
CCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010796762	0	38	-1.0	-51.26	320.69	3.28	-47.98
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796763	0	35	-1.0	-37.27	331.99	5.15	-32.12
CCCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010796764	0	43	-1.0	-55.72	377.64	6.68	-49.04
CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010796765	0	40	-1.0	-44.35	366.47	6.46	-37.89
CCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010796766	0	40	-1.0	-43.49	321.28	3.49	-40.00
CCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010796767	0	40	-1.0	-46.33	342.32	3.55	-42.78
CCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010796768	0	38	-1.0	-44.87	325.72	2.85	-42.02
CCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010796769	0	36	-1.0	-41.04	328.72	3.65	-37.39
CCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796770	0	34	-1.0	-38.17	320.68	4.87	-33.30
CCCC(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010796771	0	31	-1.0	-40.76	293.38	4.20	-36.56
CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010796772	0	31	-1.0	-38.84	309.56	3.94	-34.90
CCCC(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010796773	0	36	-1.0	-41.68	307.22	3.15	-38.53
CCCC(NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010796774	0	41	-1.0	-56.97	358.98	2.80	-54.17
CCCC(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796775	0	28	-1.0	-44.00	282.18	2.58	-41.42
CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010796775	1	27	-2.0	-123.33	272.71	2.90	-120.43
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010796776	0	34	-1.0	-50.30	328.88	5.17	-45.13
CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010796777	0	34	-1.0	-43.86	293.57	5.01	-38.85
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CCC)C(=O)[O-])=C1	REAL300010796778	0	42	-1.0	-48.29	362.03	5.91	-42.38
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010796779	0	42	-1.0	-55.64	346.10	6.88	-48.76
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010796780	0	41	-1.0	-47.08	358.04	5.52	-41.56
CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010796781	0	37	-1.0	-51.82	340.22	4.82	-47.00
CCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010796782	0	36	-1.0	-38.85	315.76	4.50	-34.35
CCCC(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010796783	0	38	-1.0	-45.31	326.08	2.11	-43.20
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300010796784	0	41	-1.0	-51.23	373.22	4.54	-46.69
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010796785	0	31	-1.0	-39.91	311.08	5.05	-34.86
CCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010796786	0	31	-1.0	-41.48	291.87	4.07	-37.41
CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796787	0	34	-1.0	-54.99	301.11	4.58	-50.41
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010796788	0	37	-1.0	-41.64	341.71	4.19	-37.45
CCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010796789	0	38	-1.0	-53.30	331.82	5.96	-47.34
CCCC(NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010796790	0	33	-1.0	-40.31	329.92	4.06	-36.25
CCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010796791	0	41	-1.0	-43.75	340.36	4.40	-39.35
CCCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300010796792	0	40	-1.0	-52.62	332.88	3.38	-49.24
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010796793	0	40	-1.0	-58.52	347.99	1.29	-57.23
CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010796794	0	34	-1.0	-52.91	331.74	0.33	-52.58
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010796795	0	40	-1.0	-58.52	347.99	1.29	-57.23
CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796796	0	34	-1.0	-59.21	294.45	4.53	-54.68
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010796797	0	43	-1.0	-62.19	363.01	7.46	-54.73
CCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010796798	0	45	-1.0	-43.07	347.74	4.86	-38.21
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010796799	0	31	-1.0	-42.41	299.39	3.06	-39.35
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010796799	1	30	-2.0	-120.70	292.18	3.40	-117.30
CCCC(NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010796800	0	35	-1.0	-37.72	300.73	4.07	-33.65
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010796801	0	45	-1.0	-45.86	370.82	2.86	-43.00
CCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010796802	0	37	-1.0	-44.95	331.01	5.37	-39.58
CCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010796803	0	35	-1.0	-45.79	317.05	3.41	-42.38
CCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010796804	0	46	-1.0	-41.23	372.56	6.56	-34.67
CCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010796805	0	42	-1.0	-52.96	346.41	6.15	-46.81
CCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010796806	0	39	-1.0	-38.87	333.40	3.97	-34.90
CCCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300010796807	0	41	-1.0	-44.64	354.72	4.52	-40.12
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796808	0	40	-1.0	-58.70	351.56	5.80	-52.90
CCCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010796809	0	34	-1.0	-46.02	337.08	5.86	-40.16
CCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010796810	0	41	-1.0	-48.47	356.46	5.08	-43.39
CCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010796811	0	44	-1.0	-47.70	364.19	4.79	-42.91
CCCC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796812	0	34	-1.0	-54.43	322.08	5.45	-48.98
CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010796812	1	33	-2.0	-131.78	323.09	6.33	-125.45
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010796813	0	42	-1.0	-52.42	365.66	6.62	-45.80
CCCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)OCC)C(=O)[O-]	REAL300010796814	0	43	-1.0	-45.11	364.41	6.48	-38.63
CCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010796815	0	37	-1.0	-42.66	335.49	5.58	-37.08
CCCC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010796816	0	36	-1.0	-52.53	336.35	5.21	-47.32
CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010796816	1	35	-2.0	-131.53	331.09	5.65	-125.88
CCCC(NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010796817	0	30	-1.0	-46.25	300.38	2.05	-44.20
CCCC(NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010796818	0	32	-1.0	-46.67	303.67	4.25	-42.42
CCCC(NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010796819	0	35	-1.0	-56.05	315.58	3.25	-52.80
CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010796820	0	37	-1.0	-43.44	348.82	5.32	-38.12
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010796820	1	36	-2.0	-130.07	347.50	5.45	-124.62
CCCC(NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010796821	0	30	-1.0	-39.06	295.43	2.48	-36.58
CCCC(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010796822	0	43	-1.0	-56.22	360.68	1.51	-54.71
CCCC(NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300010796823	0	34	-1.0	-41.78	302.94	2.19	-39.59
CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010796824	0	35	-1.0	-53.96	328.15	5.53	-48.43
CCCC(NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010796825	0	37	-1.0	-52.09	362.66	5.02	-47.07
CCCC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010796826	0	30	-2.0	-132.68	300.06	5.00	-127.68
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796827	0	33	-1.0	-47.78	318.44	3.09	-44.69
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796827	1	32	-2.0	-122.38	311.26	3.39	-118.99
CCCC(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010796828	0	36	-1.0	-61.49	334.68	5.00	-56.49
CCCC(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010796829	0	36	-1.0	-57.61	328.40	4.68	-52.93
CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796830	0	33	-1.0	-47.78	318.44	3.09	-44.69
CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010796830	1	32	-2.0	-122.38	311.26	3.39	-118.99
CCCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010796831	0	34	-1.0	-46.02	337.08	5.86	-40.16
CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010796832	0	40	-1.0	-57.57	333.63	6.58	-50.99
CCCC(NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010796833	0	35	-1.0	-48.74	329.20	4.84	-43.90
CCCC([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010796833	1	34	-2.0	-141.51	327.22	4.54	-136.97
CCCC(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010796834	0	38	-1.0	-55.95	334.66	4.15	-51.80
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010796835	0	45	-1.0	-43.10	380.12	5.32	-37.78
CCCC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010796836	0	31	-1.0	-43.68	291.39	4.04	-39.64
CCCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010796836	1	30	-2.0	-127.94	297.77	4.73	-123.21
CCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010796837	0	37	-1.0	-61.15	341.60	0.13	-61.02
CCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010796838	0	41	-1.0	-49.49	345.31	5.05	-44.44
CCCC(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010796839	0	37	-1.0	-45.47	349.24	1.23	-44.24
CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796840	0	35	-1.0	-53.61	316.54	5.07	-48.54
CCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010796841	0	35	-1.0	-42.00	328.74	5.62	-36.38
CCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010796842	0	35	-1.0	-53.00	331.42	5.62	-47.38
CCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010796843	0	36	-1.0	-42.57	319.56	-2.26	-44.83
CCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010796844	0	33	-1.0	-53.01	307.65	3.18	-49.83
CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010796845	0	40	-1.0	-59.62	349.52	3.38	-56.24
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010796845	1	39	-2.0	-142.64	350.80	2.50	-140.14
CCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010796846	0	48	-1.0	-57.29	353.62	6.65	-50.64
CCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010796847	0	39	-1.0	-45.51	312.21	4.23	-41.28
CCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010796848	0	39	-1.0	-54.62	346.94	0.62	-54.00
CCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010796849	0	44	-1.0	-57.67	351.14	4.11	-53.56
CCCC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)OCC)=N1)C(=O)[O-]	REAL300010796850	0	43	-1.0	-62.67	377.33	5.76	-56.91
CCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010796851	0	35	-1.0	-63.70	324.60	2.81	-60.89
CCCC(NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010796852	0	40	-1.0	-57.34	357.75	5.63	-51.71
CCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010796853	0	41	-1.0	-57.35	358.56	6.63	-50.72
CCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010796854	0	40	-1.0	-60.19	329.08	1.21	-58.98
CCCC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)OCC)C(=O)[O-]	REAL300010796855	0	40	-1.0	-63.31	349.81	4.62	-58.69
CCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010796856	0	44	-1.0	-40.93	340.39	5.75	-35.18
CCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010796857	0	35	-1.0	-43.92	319.36	5.13	-38.79
CCCC(NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010796858	0	42	-1.0	-57.98	327.13	3.96	-54.02
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010796859	0	53	-1.0	-55.29	406.60	7.93	-47.36
CCCC(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010796860	0	34	-1.0	-56.80	322.16	4.59	-52.21
CCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010796861	0	42	-1.0	-54.55	350.44	4.80	-49.75
CCCC(NS(=O)(=O)NCC1=CC=CC(C)=C1)C(=O)[O-]	REAL300010796862	0	39	-1.0	-52.59	329.18	3.35	-49.24
CCCC(NS(=O)(=O)C1=NNC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796863	0	37	-1.0	-44.66	332.63	1.88	-42.78
CCCC(NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010796863	1	36	-2.0	-100.33	331.32	1.59	-98.74
CCCC(NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010796863	1	36	-2.0	-100.40	331.54	1.59	-98.81
CCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010796864	0	36	-1.0	-57.08	317.94	1.18	-55.90
CCCC([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010796865	0	33	-2.0	-118.58	322.88	3.47	-115.11
CCCC(NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010796865	1	34	-1.0	-51.05	332.79	3.10	-47.95
CCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010796866	0	43	-1.0	-53.70	335.87	4.20	-49.50
CCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010796867	0	42	-1.0	-40.05	346.08	5.46	-34.59
CCCC(NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010796868	0	35	-1.0	-45.28	326.38	4.92	-40.36
CCCC([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010796868	1	34	-2.0	-127.44	329.21	4.78	-122.66
CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010796869	0	35	-1.0	-53.51	326.06	4.63	-48.88
CCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010796870	0	35	-1.0	-45.01	315.35	3.40	-41.61
CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010796870	1	34	-2.0	-137.87	308.24	3.69	-134.18
CCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010796871	0	35	-1.0	-56.42	322.21	3.43	-52.99
CCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010796872	0	37	-1.0	-52.34	320.86	3.72	-48.62
CCCC(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010796873	0	34	-1.0	-53.39	302.87	5.16	-48.23
CCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010796874	0	40	-1.0	-42.82	356.67	4.33	-38.49
CCCC(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010796875	0	28	-1.0	-37.07	300.61	3.92	-33.15
CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010796875	1	27	-2.0	-114.62	300.12	3.62	-111.00
CCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010796876	0	44	-1.0	-55.06	365.74	6.10	-48.96
CCCC(NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010796877	0	48	-1.0	-53.83	395.16	5.69	-48.14
CCCC(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010796878	0	34	-1.0	-52.37	331.55	5.14	-47.23
CCCC(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010796879	0	36	-1.0	-53.13	328.46	4.40	-48.73
CCCC(NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300010796880	0	39	-1.0	-56.28	326.49	2.73	-53.55
CCCC(NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010796881	0	28	-1.0	-53.22	283.50	3.19	-50.03
CCCC([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010796881	1	27	-2.0	-129.61	288.75	4.16	-125.45
CCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010796882	0	42	-1.0	-57.48	367.15	6.70	-50.78
CCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010796883	0	37	-1.0	-65.88	306.67	4.94	-60.94
CCCC(NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796884	0	34	-1.0	-65.26	305.00	1.34	-63.92
CCCC([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010796884	1	33	-2.0	-148.17	301.23	1.81	-146.36
CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010796885	0	36	-1.0	-45.72	332.68	2.44	-43.28
CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010796886	0	32	-1.0	-45.36	319.29	2.63	-42.73
CCCC(NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300010796887	0	33	-1.0	-52.06	301.52	3.19	-48.87
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CCC)C(=O)[O-])=C1	REAL300010796888	0	42	-1.0	-45.80	361.13	5.45	-40.35
CCCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010796889	0	41	-1.0	-48.17	355.27	4.56	-43.61
CCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010796890	0	35	-1.0	-64.14	316.22	3.20	-60.94
CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010796891	0	37	-1.0	-52.77	339.36	6.56	-46.21
CCCC(NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300010796892	0	39	-1.0	-55.00	335.26	2.92	-52.08
CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010796893	0	41	-1.0	-44.74	368.72	7.78	-36.96
CCCC(NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010796894	0	34	-1.0	-43.21	333.33	4.86	-38.35
CCCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300010796895	0	37	-1.0	-50.85	336.02	5.64	-45.21
CCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010796896	0	44	-1.0	-49.76	364.25	5.02	-44.74
CCCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010796897	0	45	-1.0	-43.53	364.57	4.42	-39.11
CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010796898	0	37	-1.0	-54.76	334.11	6.55	-48.21
CCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010796899	0	39	-1.0	-48.08	325.63	1.53	-46.55
CCCC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010796900	0	37	-1.0	-44.93	340.38	3.63	-41.30
CCCC(NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010796901	0	45	-1.0	-42.80	380.78	4.82	-37.98
CCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010796902	0	46	-1.0	-53.15	378.89	4.15	-49.00
CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010796903	0	34	-1.0	-42.64	317.82	1.48	-41.16
CCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300010796904	0	37	-1.0	-42.73	322.85	1.23	-41.50
CCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010796905	0	40	-1.0	-45.10	338.50	3.96	-41.14
CCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300010796906	0	40	-1.0	-52.77	337.49	3.42	-49.35
CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010796907	0	30	-1.0	-47.32	295.65	2.62	-44.70
CCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010796908	0	41	-1.0	-38.62	327.67	1.32	-37.30
CCCC(NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300010796909	0	37	-1.0	-57.16	331.21	1.64	-55.52
CCCC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010796910	0	34	-1.0	-55.30	327.27	3.66	-51.64
CCCC([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010796911	0	28	-2.0	-130.29	281.34	2.00	-128.29
CCCC(NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010796911	1	29	-1.0	-52.54	290.89	1.61	-50.93
CCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010796912	0	35	-1.0	-64.87	326.20	1.82	-63.05
CCCC(NS(=O)(=O)C1=C(C)SC(C)=C1C)C(=O)[O-]	REAL300010796913	0	37	-1.0	-52.42	318.50	5.10	-47.32
CCCC(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010796914	0	28	-1.0	-51.38	297.93	3.99	-47.39
CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010796915	0	35	-1.0	-40.39	309.20	4.54	-35.85
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010796916	0	33	-1.0	-54.55	312.78	2.95	-51.60
CCCC(NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010796917	0	34	-1.0	-49.87	315.32	1.02	-48.85
CCCC(NS(=O)(=O)C1=C(C)N=C(NC(=O)CC)S1)C(=O)[O-]	REAL300010796918	0	40	-1.0	-57.00	359.84	2.85	-54.15
CCCC(NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010796918	1	39	-2.0	-101.16	355.58	1.65	-99.51
CCCC(NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010796919	0	38	-1.0	-57.39	339.36	1.73	-55.66
CCCC(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010796920	0	35	-1.0	-51.92	341.09	5.93	-45.99
CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796921	0	36	-1.0	-55.14	324.76	5.77	-49.37
CCCC([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010796922	0	29	-2.0	-130.89	296.90	2.28	-128.61
CCCC(NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010796922	1	30	-1.0	-56.73	294.07	3.06	-53.67
CCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010796923	0	42	-1.0	-48.57	350.20	4.24	-44.33
CCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010796924	0	39	-1.0	-47.66	333.77	5.13	-42.53
CCCC(NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010796925	0	39	-1.0	-42.53	342.32	3.18	-39.35
CCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010796926	0	34	-1.0	-58.60	311.99	5.68	-52.92
CCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010796927	0	38	-1.0	-49.53	326.57	3.99	-45.54
CCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010796928	0	38	-1.0	-46.26	326.64	4.88	-41.38
CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010796929	0	33	-1.0	-47.14	303.73	2.70	-44.44
CCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300010796930	0	40	-1.0	-57.44	337.46	3.51	-53.93
CCCC(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010796931	0	38	-1.0	-42.44	337.65	6.04	-36.40
CCCC(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010796932	0	33	-1.0	-51.71	304.48	2.78	-48.93
CCCC(NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010796933	0	43	-1.0	-55.44	342.98	4.62	-50.82
CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010796934	0	45	-1.0	-52.24	385.58	7.35	-44.89
CCCC(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010796935	0	38	-1.0	-55.75	338.29	6.02	-49.73
CCCC(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010796936	0	28	-1.0	-51.63	284.29	3.30	-48.33
CCCC(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010796937	0	35	-1.0	-45.68	312.93	3.76	-41.92
CCCC(NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010796938	0	33	-1.0	-51.78	305.86	3.29	-48.49
CCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010796939	0	36	-1.0	-61.61	309.94	4.65	-56.96
CCCC(NS(=O)(=O)C1=CC(I)=CC=C1C)C(=O)[O-]	REAL300010796940	0	34	-1.0	-54.60	316.71	5.71	-48.89
CCCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010796941	0	40	-1.0	-44.52	341.08	5.55	-38.97
CCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010796942	0	42	-1.0	-46.93	359.77	7.92	-39.01
CCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010796943	0	34	-1.0	-46.17	302.91	4.37	-41.80
CCCC(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010796944	0	30	-1.0	-48.85	293.21	2.58	-46.27
CCCC(NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796945	0	33	-1.0	-59.30	296.56	3.23	-56.07
CCCC([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010796945	1	32	-2.0	-139.06	291.32	3.78	-135.28
CCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010796946	0	34	-1.0	-51.10	299.84	3.15	-47.95
CCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010796947	0	39	-1.0	-48.48	332.15	-0.45	-48.93
CCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010796948	0	33	-1.0	-44.99	301.93	3.50	-41.49
CCCC([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010796949	0	29	-2.0	-123.52	296.35	3.53	-119.99
CCCC(NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010796949	1	30	-1.0	-42.60	305.78	3.24	-39.36
CCCC(NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010796950	0	35	-1.0	-57.66	316.83	3.46	-54.20
CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010796951	0	35	-1.0	-53.61	316.54	5.07	-48.54
CCCC(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010796952	0	35	-1.0	-53.21	326.85	5.51	-47.70
CCCC(NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010796953	0	40	-1.0	-48.65	357.55	3.44	-45.21
CCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010796954	0	38	-1.0	-59.80	329.57	6.00	-53.80
CCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010796955	0	34	-1.0	-44.71	325.09	5.46	-39.25
CCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010796956	0	35	-1.0	-49.33	328.53	3.65	-45.68
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010796957	0	38	-1.0	-45.24	322.36	4.43	-40.81
CCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010796958	0	44	-1.0	-53.17	380.66	5.40	-47.77
CCCC(NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010796959	0	44	-1.0	-58.95	376.40	6.29	-52.66
CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010796960	0	37	-1.0	-52.05	342.06	2.02	-50.03
CCCC(NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796961	0	37	-1.0	-40.55	338.12	5.75	-34.80
CCCC([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010796961	1	36	-2.0	-133.79	337.99	6.24	-127.55
CCCC(NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796962	0	36	-1.0	-46.47	316.40	3.53	-42.94
CCCC(NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796963	0	37	-1.0	-48.08	325.49	5.30	-42.78
CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010796963	1	36	-2.0	-145.88	326.81	5.16	-140.72
CCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010796964	0	36	-1.0	-53.64	311.87	4.14	-49.50
CCCC(NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010796965	0	31	-1.0	-53.67	295.04	4.91	-48.76
CCCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300010796966	0	37	-1.0	-61.42	319.85	3.09	-58.33
CCCC(NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010796967	0	42	-1.0	-52.19	373.30	4.78	-47.41
CCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010796968	0	39	-1.0	-62.10	334.26	5.11	-56.99
CCCC([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010796969	0	26	-2.0	-116.68	272.26	2.58	-114.10
CCCC(NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010796969	1	27	-1.0	-47.74	281.69	2.25	-45.49
CCCC(NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010796970	0	33	-1.0	-42.69	311.91	2.30	-40.39
CCCC(NS(=O)(=O)C1=NC=C(Cl)C=C1C)C(=O)[O-]	REAL300010796971	0	33	-1.0	-43.52	303.19	3.22	-40.30
CCCC(NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010796972	0	33	-1.0	-57.50	293.69	3.11	-54.39
CCCC(NS(=O)(=O)C1=C(C)SC(Cl)=C1)C(=O)[O-]	REAL300010796973	0	31	-1.0	-38.23	298.20	4.15	-34.08
CCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010796974	0	33	-1.0	-61.12	306.94	2.81	-58.31
CCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010796975	0	38	-1.0	-45.52	335.41	4.29	-41.23
CCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010796976	0	44	-1.0	-46.27	355.11	5.98	-40.29
CCCC(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010796977	0	35	-2.0	-111.72	323.15	3.80	-107.92
CCCC(NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010796977	1	36	-1.0	-42.31	326.89	2.98	-39.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010796978	0	38	-1.0	-53.96	308.14	7.90	-46.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010796979	0	31	-1.0	-48.37	258.26	3.75	-44.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010796980	0	32	-1.0	-49.76	281.80	6.33	-43.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010796981	0	32	-1.0	-51.44	265.26	5.71	-45.73
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010796982	0	44	-1.0	-57.89	318.88	8.19	-49.70
COC(=O)CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010796983	0	41	-1.0	-59.16	328.18	6.18	-52.98
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010796984	0	38	-1.0	-54.09	302.33	6.52	-47.57
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796985	0	41	-1.0	-54.08	336.24	7.30	-46.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010796986	0	32	-1.0	-47.40	278.32	6.09	-41.31
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010796987	0	38	-1.0	-47.41	316.44	6.43	-40.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796988	0	44	-1.0	-54.98	335.94	8.03	-46.95
CC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796989	0	41	-1.0	-55.02	319.88	7.64	-47.38
CCC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796990	0	44	-1.0	-54.91	338.31	8.30	-46.61
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796991	0	43	-1.0	-56.29	355.25	3.71	-52.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010796992	0	36	-1.0	-55.33	296.41	2.49	-52.84
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796993	0	42	-1.0	-57.07	341.55	4.73	-52.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010796994	0	34	-1.0	-43.01	291.34	6.27	-36.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010796995	0	32	-1.0	-60.52	286.92	7.08	-53.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010796996	0	29	-1.0	-48.59	271.40	5.34	-43.25
CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010796997	0	41	-1.0	-55.00	324.03	7.93	-47.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010796998	0	32	-1.0	-46.44	284.40	6.21	-40.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010796999	0	36	-1.0	-50.03	310.85	5.66	-44.37
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797000	0	43	-1.0	-53.61	345.27	3.97	-49.64
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300010797557	0	39	-1.0	-50.18	297.99	5.16	-45.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010797558	0	39	-1.0	-54.87	324.00	6.25	-48.62
COC(=O)C1CCCCC1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797559	0	44	-1.0	-58.37	323.15	6.88	-51.49
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797560	0	47	-1.0	-58.51	357.59	6.82	-51.69
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797561	0	40	-1.0	-55.75	330.68	7.62	-48.13
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797562	0	39	-1.0	-66.52	316.29	4.65	-61.87
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797563	0	40	-1.0	-46.44	307.89	6.94	-39.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010797564	0	37	-1.0	-53.46	318.67	5.79	-47.67
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010797565	0	32	-1.0	-50.29	287.43	6.81	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010797566	0	34	-1.0	-65.40	276.30	6.78	-58.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010797567	0	29	-1.0	-54.81	266.30	5.02	-49.79
N#CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010797568	0	42	-1.0	-50.47	317.91	6.56	-43.91
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010797569	0	44	-1.0	-51.94	312.72	7.15	-44.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010797570	0	34	-1.0	-63.24	289.16	6.37	-56.87
COC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797571	0	36	-1.0	-54.30	311.46	5.61	-48.69
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010797572	0	42	-1.0	-66.05	343.19	6.66	-59.39
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010797573	0	45	-1.0	-62.51	374.46	6.78	-55.73
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010797574	0	39	-1.0	-54.83	321.94	3.37	-51.46
CCC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797575	0	34	-1.0	-48.85	290.26	4.29	-44.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010797576	0	44	-1.0	-54.63	345.26	7.15	-47.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010797577	0	32	-1.0	-57.12	273.79	6.04	-51.08
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=N1	REAL300010797578	0	34	-1.0	-48.83	279.88	4.37	-44.46
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797579	0	37	-1.0	-52.67	312.38	5.87	-46.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010797580	0	39	-1.0	-53.51	320.43	7.24	-46.27
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797581	0	36	-1.0	-49.61	316.15	7.16	-42.45
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797582	0	34	-1.0	-43.99	299.52	6.09	-37.90
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797583	0	42	-1.0	-59.13	346.18	2.26	-56.87
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1Cl	REAL300010797584	0	35	-1.0	-45.53	301.02	3.64	-41.89
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797585	0	37	-1.0	-59.89	300.86	6.12	-53.77
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797586	0	41	-1.0	-61.92	336.56	6.63	-55.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010797587	0	47	-1.0	-60.17	374.40	6.12	-54.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010797588	0	31	-1.0	-43.05	282.18	5.53	-37.52
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797589	0	50	0.0	-73.33	376.62	7.01	-66.32
CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797590	0	41	-1.0	-54.70	329.51	7.85	-46.85
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797591	0	38	-1.0	-56.83	313.40	7.15	-49.68
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797592	0	35	-1.0	-51.74	285.05	6.48	-45.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010797593	0	36	-1.0	-55.93	297.47	5.43	-50.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010797594	0	32	-1.0	-46.91	283.76	6.09	-40.82
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797595	0	40	-1.0	-61.09	313.09	6.05	-55.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010797596	0	59	-1.0	-53.07	447.65	10.39	-42.68
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010797597	0	41	-1.0	-56.83	320.26	6.83	-50.00
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797598	0	35	-1.0	-64.65	276.03	6.70	-57.95
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797599	0	46	-1.0	-57.90	377.28	6.64	-51.26
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797600	0	33	-1.0	-52.10	283.85	6.00	-46.10
CC1=NC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300010797601	0	34	-1.0	-59.93	293.21	4.09	-55.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010797602	0	35	-1.0	-60.07	304.89	4.70	-55.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010797603	0	38	-1.0	-53.92	326.87	8.59	-45.33
COC(=O)CCCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797604	0	43	-1.0	-56.39	346.73	6.56	-49.83
CN1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300010797605	0	37	-1.0	-49.93	304.05	4.82	-45.11
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797606	0	40	-1.0	-62.15	327.63	3.96	-58.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010797608	0	35	-1.0	-47.36	316.46	7.20	-40.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797609	0	43	-1.0	-53.51	332.99	3.99	-49.52
COC1=C(F)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797610	0	38	-1.0	-46.46	325.82	6.60	-39.86
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797611	0	42	-1.0	-48.37	351.22	5.02	-43.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010797612	0	43	-1.0	-53.50	359.91	7.51	-45.99
COC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797613	0	42	-1.0	-52.74	337.69	6.51	-46.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010797614	0	35	-1.0	-50.58	300.07	4.50	-46.08
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010797615	0	43	-1.0	-53.91	344.01	7.03	-46.88
CC1=CC=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010797616	0	40	-1.0	-60.88	313.47	7.13	-53.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010797617	0	35	-1.0	-55.33	294.70	6.63	-48.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010797618	0	35	-1.0	-45.69	301.21	6.47	-39.22
CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797619	0	35	-1.0	-54.56	303.38	6.95	-47.61
CSC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797620	0	36	-1.0	-58.26	294.27	6.39	-51.87
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797621	0	43	-1.0	-74.50	342.87	5.11	-69.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010797622	0	44	-1.0	-64.02	351.00	5.00	-59.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010797623	0	40	-1.0	-53.50	329.23	6.96	-46.54
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797624	0	42	-1.0	-48.37	351.22	5.02	-43.35
CN(C)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797625	0	40	-1.0	-56.10	309.01	6.02	-50.08
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010797626	0	35	-1.0	-47.80	309.23	6.98	-40.82
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(OC)=C1	REAL300010797627	0	42	-1.0	-54.32	346.33	6.13	-48.19
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=CS1	REAL300010797628	0	38	-1.0	-50.41	306.70	6.05	-44.36
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010797629	0	36	-1.0	-50.75	295.61	5.04	-45.71
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797630	0	43	-1.0	-61.77	351.97	5.86	-55.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797631	0	46	-1.0	-55.61	379.14	6.62	-48.99
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797632	0	41	-1.0	-53.45	313.23	7.32	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010797633	0	46	-1.0	-56.65	367.27	8.85	-47.80
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797634	0	40	-1.0	-57.98	331.46	7.50	-50.48
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797635	0	44	0.0	-76.64	338.01	7.62	-69.02
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797636	0	40	-1.0	-57.30	311.56	6.14	-51.16
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010797637	0	47	-1.0	-51.41	384.61	8.37	-43.04
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010797638	0	35	-1.0	-52.77	298.35	6.29	-46.48
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797639	0	44	-1.0	-62.06	353.30	7.79	-54.27
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010797640	0	32	-1.0	-43.61	293.87	6.46	-37.15
CC1=C(Cl)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797641	0	32	-1.0	-48.17	289.22	5.88	-42.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010797642	0	38	-1.0	-54.17	306.18	6.12	-48.05
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797643	0	36	-1.0	-51.33	291.94	4.77	-46.56
CC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010797644	0	40	-1.0	-77.37	323.65	8.62	-68.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010797645	0	38	-1.0	-55.38	320.64	7.50	-47.88
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010797646	0	42	-1.0	-50.24	341.74	8.28	-41.96
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797647	0	35	-1.0	-50.49	292.71	6.24	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010797648	0	37	-1.0	-54.75	303.52	6.14	-48.61
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797649	0	38	-1.0	-53.20	313.35	7.11	-46.09
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797650	0	40	-1.0	-63.20	307.76	6.97	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010797651	0	32	-1.0	-47.23	280.24	6.16	-41.07
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010797652	0	42	-1.0	-50.24	341.74	8.28	-41.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010797653	0	31	-1.0	-46.58	278.47	4.36	-42.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010797654	0	32	-1.0	-51.50	297.07	6.76	-44.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010797655	0	43	-1.0	-48.12	354.30	5.42	-42.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010797656	0	32	-1.0	-55.44	281.75	6.25	-49.19
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797657	0	42	-1.0	-53.68	315.11	6.48	-47.20
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797658	0	35	-1.0	-53.48	287.90	2.34	-51.14
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C#N	REAL300010797659	0	36	-1.0	-50.08	300.88	6.59	-43.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797660	0	38	-1.0	-48.06	320.24	6.37	-41.69
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797661	0	36	-1.0	-58.60	308.01	6.00	-52.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010797662	0	33	-1.0	-57.35	288.48	4.49	-52.86
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010797663	0	45	-1.0	-53.57	351.68	9.00	-44.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300010797664	0	43	-1.0	-60.72	344.74	6.42	-54.30
O=C([O-])C1CCCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010797665	0	49	-1.0	-65.35	362.20	11.80	-53.55
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010797666	0	46	-1.0	-55.78	346.35	7.22	-48.56
COC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797667	0	39	-1.0	-57.80	306.22	5.51	-52.29
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797668	0	37	-1.0	-51.04	310.66	4.51	-46.53
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010797669	0	33	-1.0	-51.22	301.41	6.58	-44.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010797670	0	34	-1.0	-50.36	303.79	6.67	-43.69
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797671	0	39	-1.0	-55.95	311.12	5.42	-50.53
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797672	0	38	-1.0	-46.00	331.82	6.49	-39.51
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797673	0	39	-1.0	-58.08	309.11	5.52	-52.56
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010797674	0	40	-1.0	-50.05	332.08	5.18	-44.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010797675	0	36	-1.0	-52.26	306.42	5.33	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010797676	0	35	-1.0	-52.37	304.98	6.75	-45.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797677	0	43	-1.0	-58.79	351.54	2.76	-56.03
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2S1	REAL300010797678	0	44	-1.0	-57.16	375.22	8.72	-48.44
N#CCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797679	0	36	-1.0	-61.08	302.78	6.86	-54.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010797680	0	38	-1.0	-56.39	314.96	4.88	-51.51
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797681	0	37	-1.0	-63.36	317.51	1.26	-62.10
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797682	0	38	-1.0	-49.65	317.15	6.13	-43.52
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797683	0	40	-1.0	-66.92	334.92	7.21	-59.71
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=C1	REAL300010797684	0	36	-1.0	-50.67	294.65	4.98	-45.69
CC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCO2	REAL300010797685	0	38	-1.0	-60.14	296.82	4.89	-55.25
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797686	0	38	-1.0	-46.62	304.48	6.61	-40.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010797687	0	32	-1.0	-46.45	279.80	6.12	-40.33
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797688	0	38	-1.0	-55.68	299.53	7.50	-48.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010797689	0	32	-1.0	-51.15	290.45	6.53	-44.62
COC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCC(=O)N2	REAL300010797690	0	42	-1.0	-60.24	341.92	2.72	-57.52
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010797691	0	34	-1.0	-48.11	306.87	6.64	-41.47
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797692	0	30	-1.0	-47.80	275.02	5.30	-42.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010797693	0	34	-1.0	-43.19	303.02	6.53	-36.66
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010797694	0	32	-1.0	-53.04	292.04	7.14	-45.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010797695	0	33	-1.0	-52.24	283.62	3.95	-48.29
COC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797696	0	35	-1.0	-53.99	285.29	3.13	-50.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010797697	0	32	-1.0	-47.84	283.01	6.07	-41.77
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010797698	0	42	-1.0	-54.64	341.89	6.39	-48.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010797699	0	32	-1.0	-46.19	281.91	6.20	-39.99
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010797700	0	35	-1.0	-55.01	303.36	6.92	-48.09
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797701	0	35	-1.0	-64.46	305.30	3.12	-61.34
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797701	1	34	-2.0	-107.60	301.92	2.08	-105.52
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010797702	0	35	-1.0	-54.90	307.92	7.02	-47.88
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797703	0	36	-1.0	-63.82	311.94	2.97	-60.85
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797704	0	41	-1.0	-52.39	314.53	6.92	-45.47
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797705	0	40	-1.0	-63.44	318.66	3.35	-60.09
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797706	0	36	-1.0	-63.71	316.48	3.09	-60.62
CCOC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797707	0	39	-1.0	-61.40	312.28	5.91	-55.49
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300010797708	0	43	-1.0	-60.20	342.32	6.97	-53.23
N#CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010797709	0	36	-1.0	-53.06	317.34	6.84	-46.22
COCCN(CCC#N)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797710	0	41	-1.0	-55.81	321.83	3.97	-51.84
CC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797711	0	41	-1.0	-53.18	329.59	7.88	-45.30
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797712	0	39	-1.0	-51.49	326.02	6.07	-45.42
N#CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300010797713	0	36	-1.0	-51.00	289.52	2.80	-48.20
CCN(CC(C)C#N)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797714	0	40	-1.0	-49.89	303.35	5.64	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010797715	0	35	-1.0	-53.44	285.63	4.20	-49.24
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797716	0	33	-1.0	-45.90	286.25	5.90	-40.00
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797717	0	33	-1.0	-50.13	298.04	6.35	-43.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797718	0	38	-1.0	-50.59	302.54	6.83	-43.76
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010797719	0	38	-1.0	-61.52	321.46	6.96	-54.56
COCCOCCOCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797720	0	46	-1.0	-54.07	371.35	3.02	-51.05
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797721	0	42	-1.0	-71.71	351.97	3.00	-68.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010797722	0	32	-1.0	-59.23	277.49	6.25	-52.98
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2CC1	REAL300010797723	0	49	-1.0	-59.55	373.71	7.67	-51.88
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010797724	0	41	-1.0	-46.86	345.84	7.16	-39.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010797725	0	42	-1.0	-57.47	352.97	7.10	-50.37
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797726	0	41	-1.0	-54.25	336.37	8.15	-46.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797727	0	41	-1.0	-54.73	332.20	7.87	-46.86
CN(C(=O)N1CCCCC1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010797728	0	39	-1.0	-69.70	299.45	3.97	-65.73
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797729	0	42	-1.0	-54.09	343.10	4.69	-49.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010797730	0	32	-1.0	-52.98	285.77	6.30	-46.68
O=C([O-])C1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010797731	0	45	-1.0	-54.23	363.70	7.26	-46.97
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010797732	0	41	-1.0	-45.95	355.83	7.37	-38.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010797733	0	34	-1.0	-60.57	310.71	7.61	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010797734	0	41	-1.0	-64.29	324.27	2.88	-61.41
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797735	0	40	-1.0	-48.65	313.45	6.44	-42.21
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010797736	0	43	-1.0	-62.43	354.61	5.25	-57.18
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1C	REAL300010797737	0	44	-1.0	-49.98	359.39	7.53	-42.45
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797738	0	46	-1.0	-56.82	372.03	3.90	-52.92
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797739	0	43	-1.0	-61.82	346.36	5.21	-56.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797740	0	45	-1.0	-68.69	367.81	7.07	-61.62
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010797741	0	44	-1.0	-57.33	353.38	7.83	-49.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010797742	0	35	-1.0	-55.63	296.66	7.00	-48.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797743	0	44	-1.0	-60.64	359.32	8.06	-52.58
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797744	0	38	-1.0	-60.72	331.92	8.22	-52.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010797745	0	35	-1.0	-52.27	301.74	7.24	-45.03
CC(COC1CCCC1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797746	0	48	-1.0	-53.15	363.68	7.04	-46.11
CC1=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300010797747	0	37	-1.0	-51.55	312.10	4.94	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010797748	0	38	-1.0	-50.00	324.85	7.70	-42.30
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797749	0	41	-1.0	-62.00	345.62	7.36	-54.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010797750	0	42	-1.0	-55.59	335.12	9.11	-46.48
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797751	0	46	-1.0	-56.23	378.80	3.49	-52.74
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010797752	0	35	-1.0	-52.75	303.35	6.95	-45.80
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010797753	0	44	-1.0	-62.12	362.19	6.88	-55.24
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010797754	0	38	-1.0	-65.18	331.18	3.63	-61.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010797755	0	36	-1.0	-58.82	306.96	6.83	-51.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010797756	0	35	-1.0	-51.25	293.82	6.64	-44.61
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797757	0	34	-1.0	-50.26	285.85	4.80	-45.46
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Br)N1C	REAL300010797758	0	35	-1.0	-65.49	304.88	5.63	-59.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010797759	0	33	-1.0	-44.91	284.10	4.52	-40.39
COC(=O)C(C)(C)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797760	0	40	-1.0	-51.40	311.85	5.57	-45.83
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797761	0	45	-1.0	-57.29	354.74	6.58	-50.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010797762	0	35	-2.0	-108.88	307.95	5.23	-103.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010797762	1	36	-1.0	-56.76	307.84	4.40	-52.36
CCOC(=O)CC1(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797763	0	41	-1.0	-56.76	321.73	7.04	-49.72
N#CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010797764	0	33	-1.0	-41.81	307.15	6.29	-35.52
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797765	0	43	-1.0	-58.14	354.23	5.00	-53.14
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010797766	0	47	-1.0	-57.91	373.58	8.54	-49.37
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797767	0	44	-1.0	-58.73	363.31	4.93	-53.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010797768	0	37	-1.0	-50.51	307.32	2.90	-47.61
COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCC1	REAL300010797769	0	44	-1.0	-61.34	331.61	7.08	-54.26
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COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797774	0	41	-1.0	-61.02	337.46	7.14	-53.88
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COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCC1	REAL300010797778	0	41	-1.0	-59.10	325.15	6.09	-53.01
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COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797781	0	45	-1.0	-64.83	370.80	6.06	-58.77
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797782	0	48	-1.0	-64.86	392.66	6.99	-57.87
COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010797783	0	47	-1.0	-61.34	337.58	7.72	-53.62
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C	REAL300010797784	0	40	-1.0	-50.57	326.97	5.06	-45.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010797785	0	36	-1.0	-46.12	308.38	5.29	-40.83
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797786	0	41	-1.0	-57.96	354.06	7.77	-50.19
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O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCOCC1	REAL300010797788	0	42	-1.0	-53.15	320.10	4.98	-48.17
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CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010797790	0	35	-1.0	-52.16	292.64	6.07	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010797791	0	34	-1.0	-42.36	298.77	4.84	-37.52
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O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010797793	0	41	-1.0	-53.77	327.07	7.37	-46.40
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O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010797797	0	34	-1.0	-53.19	299.21	7.39	-45.80
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1C	REAL300010797798	0	41	-1.0	-49.47	337.53	6.60	-42.87
CC1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2N=C1Cl	REAL300010797799	0	40	-1.0	-56.56	336.16	7.09	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010797800	0	41	-1.0	-51.63	315.17	6.85	-44.78
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010797801	0	42	-1.0	-52.67	342.21	6.48	-46.19
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)C)=C1	REAL300010797802	0	59	-1.0	-60.97	427.52	11.85	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010797803	0	37	-1.0	-56.36	310.08	7.02	-49.34
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797804	0	44	-1.0	-52.19	363.30	8.00	-44.19
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797805	0	37	-1.0	-64.85	299.38	5.03	-59.82
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797806	0	39	-1.0	-52.71	329.23	6.00	-46.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010797807	0	39	-1.0	-55.00	308.95	7.82	-47.18
COC1=CC=C2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300010797808	0	44	-1.0	-55.26	346.80	7.29	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010797809	0	40	-1.0	-53.20	320.13	6.64	-46.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010797810	0	35	-1.0	-51.14	296.43	6.14	-45.00
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O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010797812	0	35	-1.0	-47.80	313.64	7.08	-40.72
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797813	0	41	-1.0	-67.87	347.32	3.92	-63.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010797814	0	35	-1.0	-57.06	287.61	5.87	-51.19
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300010797815	0	44	-1.0	-52.08	328.91	7.37	-44.71
CC1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300010797816	0	41	-1.0	-57.54	326.96	8.64	-48.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010797817	0	29	-1.0	-48.94	263.84	5.28	-43.66
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797818	0	41	-1.0	-58.36	332.22	6.92	-51.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010797819	0	47	-1.0	-64.63	381.24	6.27	-58.36
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797820	0	45	-1.0	-65.97	356.23	6.11	-59.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010797821	0	35	-1.0	-52.49	299.60	6.71	-45.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010797822	0	38	-1.0	-54.93	306.92	7.70	-47.23
CCC1=CC(CC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(CC)=C1	REAL300010797823	0	50	-1.0	-61.22	366.82	10.53	-50.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010797824	0	37	-1.0	-54.16	296.46	5.51	-48.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010797825	0	39	-1.0	-54.76	315.73	5.46	-49.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010797826	0	34	-1.0	-59.59	308.76	5.59	-54.00
COC1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797827	0	40	-1.0	-58.57	329.48	5.27	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010797828	0	40	-1.0	-54.83	332.11	4.23	-50.60
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797829	0	37	-1.0	-55.40	315.13	0.65	-54.75
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])S(C)(=O)=O	REAL300010797830	0	43	-1.0	-71.15	336.18	2.81	-68.34
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010797831	0	36	-1.0	-50.46	305.42	5.52	-44.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010797832	0	35	-1.0	-54.19	301.03	3.29	-50.90
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797833	0	45	-1.0	-57.10	354.71	6.52	-50.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010797834	0	37	-1.0	-58.02	293.99	5.41	-52.61
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010797835	0	41	-1.0	-58.36	335.47	8.83	-49.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010797836	0	36	-1.0	-56.12	300.19	5.73	-50.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010797837	0	36	-1.0	-54.78	310.55	6.18	-48.60
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797838	0	41	-1.0	-63.58	343.34	7.18	-56.40
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797839	0	45	-1.0	-53.34	352.24	7.09	-46.25
COC(CC(C)C)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797840	0	44	-1.0	-52.18	336.48	5.55	-46.63
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797841	0	36	-1.0	-60.39	297.68	5.55	-54.84
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010797842	0	35	-1.0	-50.14	315.60	7.29	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)CCCC1CCOC1	REAL300010797843	0	42	-1.0	-54.43	323.73	4.99	-49.44
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010797844	0	35	-1.0	-47.85	313.28	7.28	-40.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010797845	0	35	-1.0	-53.87	300.25	4.77	-49.10
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010797846	0	40	-1.0	-63.30	321.89	7.35	-55.95
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797847	0	48	-1.0	-61.57	367.43	7.78	-53.79
N#CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797848	0	39	-1.0	-58.75	328.87	7.58	-51.17
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797849	0	35	-1.0	-50.06	303.97	2.92	-47.14
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010797850	0	41	-1.0	-49.24	339.01	7.06	-42.18
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797851	0	41	-1.0	-56.26	354.50	7.35	-48.91
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010797852	0	35	-1.0	-51.25	303.35	6.93	-44.32
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010797853	0	35	-1.0	-51.51	296.39	6.79	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010797854	0	38	-1.0	-71.18	309.04	6.66	-64.52
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=N1	REAL300010797855	0	41	-1.0	-53.12	345.85	7.18	-45.94
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010797856	0	38	-1.0	-48.25	331.93	6.59	-41.66
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797857	0	41	-1.0	-60.30	337.32	6.76	-53.54
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797858	0	39	-1.0	-53.12	310.98	5.93	-47.19
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797859	0	38	-1.0	-51.66	316.38	7.41	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010797860	0	45	-1.0	-51.65	341.60	5.76	-45.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010797861	0	47	-1.0	-54.76	375.33	3.46	-51.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010797862	0	40	-1.0	-59.03	304.49	6.68	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010797863	0	39	-1.0	-59.43	325.81	3.55	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010797864	0	32	-1.0	-45.92	283.54	6.26	-39.66
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC(Br)=C1	REAL300010797865	0	32	-1.0	-50.03	291.09	5.83	-44.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010797866	0	41	-1.0	-53.94	316.84	5.84	-48.10
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797867	0	42	-1.0	-49.55	327.13	4.09	-45.46
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010797868	0	38	-1.0	-50.77	314.59	7.27	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010797869	0	38	-1.0	-58.78	313.69	7.23	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010797870	0	38	-1.0	-54.29	320.81	7.57	-46.72
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797871	0	36	-1.0	-52.58	310.97	6.07	-46.51
COC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])C(=O)NCCC2	REAL300010797872	0	47	-1.0	-70.92	359.97	4.48	-66.44
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)C1	REAL300010797873	0	43	-1.0	-56.97	350.56	6.17	-50.80
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010797874	0	39	-1.0	-53.41	335.24	7.93	-45.48
COC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797875	0	41	-1.0	-52.58	310.37	3.84	-48.74
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCOC1	REAL300010797876	0	43	-1.0	-55.16	324.73	3.83	-51.33
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010797877	0	35	-1.0	-47.67	302.93	6.84	-40.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010797878	0	35	-1.0	-49.23	300.71	6.75	-42.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010797879	0	32	-1.0	-48.81	298.70	6.81	-42.00
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797880	0	39	-1.0	-71.41	316.59	3.14	-68.27
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797881	0	57	-1.0	-54.28	439.97	10.64	-43.64
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797882	0	47	-1.0	-62.04	369.50	8.06	-53.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010797883	0	32	-1.0	-53.05	287.95	6.35	-46.70
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797884	0	38	-1.0	-48.06	320.24	6.37	-41.69
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010797885	0	46	-1.0	-60.11	368.83	8.75	-51.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010797886	0	46	-1.0	-59.65	378.43	9.04	-50.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010797887	0	31	-1.0	-59.97	273.82	5.12	-54.85
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2)=N1	REAL300010797888	0	44	-1.0	-62.06	341.45	4.90	-57.16
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010797889	0	42	-1.0	-53.70	333.19	6.92	-46.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010797890	0	44	-1.0	-56.50	345.08	7.13	-49.37
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N(C)N=C1	REAL300010797891	0	38	-1.0	-55.26	308.87	4.78	-50.48
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010797892	0	40	-1.0	-52.14	341.70	4.55	-47.59
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010797893	0	44	-1.0	-57.56	343.08	7.85	-49.71
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010797894	0	43	-1.0	-62.83	345.00	4.80	-58.03
CCOC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300010797895	0	42	-1.0	-52.34	325.60	6.08	-46.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010797896	0	38	-1.0	-48.78	321.61	6.16	-42.62
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C(Cl)C=C21	REAL300010797897	0	43	-1.0	-57.79	350.88	6.97	-50.82
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797898	0	45	-1.0	-53.32	350.78	7.37	-45.95
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCC1	REAL300010797899	0	45	-1.0	-52.14	336.59	5.93	-46.21
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300010797900	0	48	-1.0	-53.81	348.85	6.97	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010797901	0	35	-1.0	-54.24	299.90	5.09	-49.15
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010797902	0	51	-1.0	-53.79	392.39	8.74	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010797903	0	35	-1.0	-70.06	313.18	5.61	-64.45
COC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797904	0	36	-1.0	-53.58	298.08	5.55	-48.03
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010797905	0	40	-1.0	-44.71	325.07	7.78	-36.93
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797906	0	39	-1.0	-54.43	307.22	5.66	-48.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010797907	0	45	-1.0	-52.19	358.24	7.79	-44.40
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010797908	0	38	-1.0	-57.13	319.37	5.69	-51.44
CCC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1CC1CC1	REAL300010797909	0	45	-1.0	-66.55	360.40	8.27	-58.28
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C1	REAL300010797910	0	43	-1.0	-56.40	343.19	6.18	-50.22
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797911	0	35	-1.0	-48.52	299.26	4.01	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010797912	0	43	-1.0	-53.44	361.13	9.80	-43.64
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797913	0	35	-1.0	-51.98	292.71	6.24	-45.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010797914	0	42	-1.0	-62.46	325.30	8.89	-53.57
CC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797915	0	38	-1.0	-51.88	317.86	7.42	-44.46
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797916	0	39	-1.0	-54.29	324.68	6.14	-48.15
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010797917	0	38	-1.0	-57.18	318.74	7.24	-49.94
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1F	REAL300010797918	0	35	-1.0	-49.65	295.60	6.49	-43.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010797919	0	31	-1.0	-45.14	286.07	4.40	-40.74
CC(C)OC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797920	0	41	-1.0	-53.54	325.75	4.70	-48.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010797921	0	38	-1.0	-57.92	322.60	4.05	-53.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010797922	0	39	-1.0	-53.12	336.49	4.99	-48.13
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC=C1	REAL300010797923	0	35	-1.0	-58.85	295.23	5.69	-53.16
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)C=C1OC	REAL300010797924	0	45	-1.0	-57.11	334.64	6.60	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010797925	0	38	-1.0	-49.27	330.86	7.59	-41.68
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797926	0	40	-1.0	-58.48	330.34	7.02	-51.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300010797927	0	34	-1.0	-61.40	289.85	4.97	-56.43
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797928	0	35	-1.0	-50.59	301.85	6.65	-43.94
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010797929	0	41	-1.0	-62.75	314.52	8.84	-53.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010797930	0	39	-1.0	-48.53	312.48	5.19	-43.34
N#CCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797931	0	36	-1.0	-53.81	291.42	6.74	-47.07
CC1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2NC1=O	REAL300010797932	0	41	-1.0	-54.16	331.52	5.45	-48.71
CN1N=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010797933	0	37	-1.0	-50.16	304.44	4.12	-46.04
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010797934	0	41	-1.0	-64.43	345.83	7.48	-56.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010797935	0	32	-1.0	-44.85	262.11	2.66	-42.19
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010797936	0	37	-1.0	-40.79	311.01	6.57	-34.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010797937	0	38	-1.0	-55.38	316.18	6.70	-48.68
O=C([O-])C1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010797938	0	44	0.0	-62.17	331.39	6.61	-55.56
C[NH+]1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797939	0	49	0.0	-71.31	364.69	4.93	-66.38
CN1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010797939	1	48	-1.0	-52.20	361.81	2.56	-49.64
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Br	REAL300010797940	0	32	-1.0	-53.33	285.31	3.68	-49.65
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1I	REAL300010797941	0	32	-1.0	-53.63	288.98	4.00	-49.63
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797942	0	36	-1.0	-64.12	298.00	7.15	-56.97
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010797943	0	41	-1.0	-53.76	330.14	4.21	-49.55
CCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=N1	REAL300010797944	0	44	-1.0	-51.16	349.77	6.25	-44.91
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(OC)C=C1F	REAL300010797945	0	42	-1.0	-55.52	343.14	6.09	-49.43
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797946	0	42	-1.0	-65.27	332.82	6.13	-59.14
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797947	0	36	-1.0	-49.94	287.92	5.59	-44.35
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010797948	0	48	-1.0	-53.98	370.89	7.94	-46.04
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797949	0	44	-1.0	-57.80	338.89	7.94	-49.86
N#CC1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010797950	0	33	-1.0	-48.95	287.92	6.13	-42.82
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010797951	0	35	-1.0	-50.11	300.71	6.75	-43.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010797952	0	51	-1.0	-54.19	388.49	10.23	-43.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300010797953	0	36	-1.0	-55.17	296.45	5.70	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010797954	0	29	-1.0	-61.76	263.56	4.21	-57.55
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010797955	0	40	-1.0	-51.09	331.55	6.56	-44.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010797956	0	31	-1.0	-45.58	275.01	4.25	-41.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010797957	0	31	-1.0	-44.90	281.46	4.32	-40.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010797958	0	31	-1.0	-44.27	270.99	3.83	-40.44
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797959	0	35	-1.0	-50.90	303.28	3.41	-47.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010797960	0	37	-1.0	-52.07	316.03	6.52	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010797961	0	34	-1.0	-50.11	300.38	5.55	-44.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010797962	0	42	-1.0	-52.95	342.56	6.08	-46.87
O=C([O-])C1CCCCN1S(=O)(=O)N=S1(=O)CCCC1	REAL300010797963	0	36	-1.0	-78.68	296.44	2.83	-75.85
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CC1(Cl)Cl	REAL300010797964	0	35	-1.0	-50.33	304.61	6.48	-43.85
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010797965	0	31	-1.0	-49.90	285.63	3.87	-46.03
CCS(=O)(CC)=NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797966	0	38	-1.0	-78.26	309.66	3.14	-75.12
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010797967	0	34	-1.0	-48.98	293.32	6.36	-42.62
O=C([O-])C1CCCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010797968	0	40	-1.0	-49.27	313.92	4.97	-44.30
CCN1CC(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1=O	REAL300010797969	0	39	-1.0	-49.29	307.74	4.27	-45.02
CCOC(=O)C1(S(=O)(=O)N2CCCCC2C(=O)[O-])CCC1	REAL300010797970	0	41	-1.0	-50.41	313.85	6.29	-44.12
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300010797971	0	43	-1.0	-62.92	347.93	2.33	-60.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010797972	0	33	-1.0	-44.47	305.40	4.82	-39.65
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797973	0	41	-1.0	-52.37	341.43	7.07	-45.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010797974	0	35	-1.0	-60.78	312.06	7.45	-53.33
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010797975	0	35	-1.0	-47.87	296.01	3.91	-43.96
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797976	0	42	-1.0	-55.14	321.35	5.92	-49.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010797977	0	29	-1.0	-49.49	268.30	5.10	-44.39
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010797978	0	44	-1.0	-55.55	329.08	5.59	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010797979	0	42	-1.0	-57.13	328.41	6.00	-51.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797980	0	35	-1.0	-54.75	288.37	4.35	-50.40
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=N1	REAL300010797981	0	32	-1.0	-47.86	277.68	3.35	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010797982	0	34	-1.0	-46.51	294.70	4.71	-41.80
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797983	0	39	-1.0	-53.17	318.36	6.25	-46.92
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010797984	0	46	-1.0	-57.70	368.08	6.96	-50.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010797985	0	32	-2.0	-111.13	275.63	4.29	-106.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010797985	1	33	-1.0	-57.76	275.52	3.48	-54.28
C=CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010797986	0	42	-1.0	-55.24	336.84	8.49	-46.75
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797987	0	35	-1.0	-64.19	293.96	3.65	-60.54
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797988	0	35	-1.0	-50.66	301.82	6.65	-44.01
CCC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797989	0	38	-1.0	-57.67	304.56	4.48	-53.19
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010797990	0	37	-1.0	-49.63	308.21	6.26	-43.37
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797991	0	41	-1.0	-77.95	328.81	3.58	-74.37
CCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010797992	0	54	-1.0	-54.70	411.95	9.47	-45.23
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C#N)=C1	REAL300010797993	0	36	-1.0	-50.15	287.90	6.07	-44.08
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010797994	0	36	-1.0	-72.27	291.81	7.01	-65.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010797995	0	35	-1.0	-56.86	300.15	6.64	-50.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010797996	0	43	-1.0	-57.99	338.76	5.76	-52.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010797997	0	36	-1.0	-51.83	311.73	7.35	-44.48
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300010797998	0	54	-1.0	-55.53	402.95	9.35	-46.18
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300010797999	0	48	-1.0	-55.59	375.48	8.20	-47.39
N#CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010798000	0	39	-1.0	-58.23	323.39	7.67	-50.56
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300010800220	0	38	-1.0	-51.36	317.16	3.75	-47.61
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010800221	0	38	-1.0	-55.62	335.30	4.06	-51.56
COC(=O)C1CCCCC1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800222	0	43	-1.0	-46.27	341.10	5.20	-41.07
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800223	0	46	-1.0	-55.32	363.44	4.49	-50.83
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800224	0	39	-1.0	-51.91	340.31	5.70	-46.21
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800225	0	38	-1.0	-58.89	328.92	2.43	-56.46
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800226	0	39	-1.0	-49.24	327.18	5.51	-43.73
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010800227	0	36	-1.0	-45.13	331.27	4.06	-41.07
CC(C)C(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010800228	0	31	-1.0	-50.69	295.33	4.55	-46.14
CC(C)C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800229	0	33	-1.0	-59.75	286.07	4.97	-54.78
CC(C)C(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800230	0	28	-1.0	-53.14	273.14	2.23	-50.91
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800230	1	27	-2.0	-120.63	272.64	1.93	-118.70
CC(C)C(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010800231	0	41	-1.0	-41.78	327.23	4.47	-37.31
CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800232	0	33	-1.0	-51.39	295.78	4.12	-47.27
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800233	0	35	-1.0	-51.66	317.68	3.39	-48.27
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300010800234	0	41	-1.0	-62.20	356.69	4.58	-57.62
CC(C)C(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010800235	0	44	-1.0	-50.42	383.81	4.65	-45.77
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300010800236	0	38	-1.0	-46.80	334.88	1.32	-45.48
CC(C)C(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010800237	0	43	-1.0	-43.97	350.11	4.90	-39.07
CC(C)C(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010800238	0	31	-1.0	-43.48	278.35	4.15	-39.33
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010800238	1	30	-2.0	-134.78	278.55	4.68	-130.10
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(Cl)=N1	REAL300010800239	0	33	-1.0	-45.81	298.37	2.81	-43.00
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800240	0	36	-1.0	-54.35	317.78	3.68	-50.67
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010800241	0	38	-1.0	-53.30	335.32	4.89	-48.41
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800242	0	35	-1.0	-50.90	322.71	4.92	-45.98
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800243	0	33	-1.0	-40.89	312.93	4.01	-36.88
CC(C)C(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010800244	0	41	-1.0	-65.13	353.20	0.13	-65.00
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010800245	0	34	-1.0	-41.48	308.95	1.49	-39.99
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C21	REAL300010800246	0	40	-1.0	-58.31	346.84	4.48	-53.83
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010800247	0	46	-1.0	-57.87	386.57	3.96	-53.91
CC(C)C(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800248	0	30	-1.0	-37.78	290.38	3.31	-34.47
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800249	0	49	0.0	-84.51	381.15	4.59	-79.92
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800250	0	37	-1.0	-42.57	317.92	4.91	-37.66
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800251	0	34	-1.0	-52.19	306.10	4.96	-47.23
CC(C)C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010800252	0	35	-1.0	-59.83	310.60	3.59	-56.24
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010800253	0	31	-1.0	-50.55	299.96	4.24	-46.31
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800254	0	39	-1.0	-62.51	323.17	4.08	-58.43
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300010800255	0	58	-1.0	-54.50	452.56	7.97	-46.53
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010800256	0	40	-1.0	-45.64	335.14	5.03	-40.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800257	0	45	-1.0	-45.81	390.35	4.65	-41.16
CC(C)C(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010800258	0	32	-1.0	-40.16	306.88	4.57	-35.59
CC(C)C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010800259	0	34	-1.0	-47.58	312.83	2.57	-45.01
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010800260	0	46	-1.0	-49.04	362.87	4.29	-44.75
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010800261	0	37	-1.0	-42.12	333.08	6.34	-35.78
COC(=O)CCCCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800262	0	42	-1.0	-44.19	356.01	4.42	-39.77
CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010800263	0	36	-1.0	-45.74	313.24	2.64	-43.10
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800264	0	39	-1.0	-55.14	334.06	1.69	-53.45
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010800266	0	34	-1.0	-37.02	324.82	5.05	-31.97
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800267	0	42	-1.0	-68.14	354.51	2.43	-65.71
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800268	0	36	-1.0	-55.31	327.16	5.45	-49.86
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800269	0	37	-1.0	-41.41	332.35	4.34	-37.07
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800270	0	41	-1.0	-54.16	357.22	2.69	-51.47
CC(C)C(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800271	0	42	-1.0	-58.12	366.40	5.26	-52.86
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800272	0	41	-1.0	-41.98	341.61	4.28	-37.70
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010800273	0	46	-1.0	-43.46	392.77	4.98	-38.48
CC(C)C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010800274	0	34	-1.0	-45.85	303.80	2.36	-43.49
CC(C)C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010800275	0	42	-1.0	-43.04	348.00	4.81	-38.23
CC1=CC=NC2=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010800276	0	39	-1.0	-50.61	310.05	5.05	-45.56
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300010800277	0	39	-1.0	-43.21	347.95	3.36	-39.85
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010800278	0	34	-1.0	-52.80	303.13	4.39	-48.41
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010800279	0	34	-1.0	-49.42	312.93	4.56	-44.86
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800280	0	34	-1.0	-41.02	312.07	4.82	-36.20
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800281	0	35	-1.0	-46.08	309.63	4.69	-41.39
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300010800282	0	38	-1.0	-55.50	345.17	3.17	-52.33
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010800283	0	42	-1.0	-66.35	348.62	3.49	-62.86
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010800284	0	43	-1.0	-55.42	359.16	3.49	-51.93
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010800285	0	37	-1.0	-53.01	347.99	1.56	-51.45
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010800286	0	39	-1.0	-45.56	338.79	4.84	-40.72
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800287	0	41	-1.0	-54.16	357.22	2.69	-51.47
CC(C)C(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010800288	0	39	-1.0	-54.58	322.45	3.92	-50.66
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010800289	0	34	-1.0	-38.77	309.73	4.70	-34.07
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(OC)=C1	REAL300010800290	0	41	-1.0	-54.15	351.09	3.96	-50.19
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=CS1	REAL300010800291	0	37	-1.0	-47.17	323.71	4.77	-42.40
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010800292	0	35	-1.0	-49.90	306.62	2.89	-47.01
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800293	0	42	-1.0	-61.18	358.78	3.59	-57.59
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800294	0	45	-1.0	-59.79	388.58	4.86	-54.93
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010800295	0	45	-1.0	-56.92	386.01	6.97	-49.95
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800296	0	39	-1.0	-60.87	339.42	5.59	-55.28
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010800297	0	31	-1.0	-48.24	309.71	4.65	-43.59
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010800297	1	30	-2.0	-125.68	304.92	4.93	-120.75
CC(C)C(NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010800298	0	43	0.0	-83.91	345.23	5.38	-78.53
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010800299	0	39	-1.0	-56.00	318.65	3.84	-52.16
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C2O1	REAL300010800300	0	46	-1.0	-44.46	392.58	6.19	-38.27
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800301	0	43	-1.0	-61.85	359.42	5.90	-55.95
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010800302	0	31	-1.0	-47.34	303.21	4.66	-42.68
CC(C)C([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010800302	1	30	-2.0	-118.20	305.33	4.41	-113.79
CC1=C(Cl)SC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800303	0	31	-1.0	-41.32	297.86	3.73	-37.59
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010800304	0	37	-1.0	-54.02	319.77	4.08	-49.94
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800305	0	35	-1.0	-53.60	308.13	2.90	-50.70
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300010800306	0	39	-1.0	-47.43	321.38	6.41	-41.02
CC(C)C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010800307	0	37	-1.0	-55.91	328.55	5.24	-50.67
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800308	0	41	-1.0	-47.42	354.05	6.42	-41.00
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800309	0	34	-1.0	-51.22	309.14	4.80	-46.42
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010800310	0	36	-1.0	-48.98	309.28	3.91	-45.07
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800311	0	37	-1.0	-56.72	321.27	4.95	-51.77
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800312	0	39	-1.0	-60.81	328.96	5.34	-55.47
CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010800313	0	31	-1.0	-52.10	301.58	4.64	-47.46
CC(C)C(NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800314	0	33	-1.0	-50.33	314.06	5.67	-44.66
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800314	1	32	-2.0	-119.81	312.94	5.47	-114.34
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800315	0	41	-1.0	-47.42	354.05	6.42	-41.00
CC(C)C(NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010800316	0	30	-1.0	-38.43	289.35	2.30	-36.13
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010800317	0	31	-1.0	-48.49	308.95	4.60	-43.89
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010800318	0	42	-1.0	-49.51	369.38	3.37	-46.14
CC(C)C([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010800319	0	30	-2.0	-130.64	287.16	4.27	-126.37
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800320	0	41	-1.0	-56.92	325.52	4.98	-51.94
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800321	0	37	-1.0	-50.53	326.14	4.16	-46.37
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800322	0	35	-1.0	-44.41	318.63	3.93	-40.48
CC(C)C(NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010800323	0	32	-1.0	-50.34	299.22	2.31	-48.03
CC(C)C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010800324	0	44	-1.0	-57.44	356.15	6.73	-50.71
CC(C)C(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010800325	0	42	-1.0	-57.12	354.59	4.25	-52.87
CC(C)C(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010800326	0	48	-1.0	-57.99	364.77	9.80	-48.19
CC(C)C(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010800327	0	45	-1.0	-55.21	363.15	5.71	-49.50
COC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800328	0	38	-1.0	-58.82	312.87	3.68	-55.14
COC(=O)C1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800329	0	36	-1.0	-42.70	319.38	2.42	-40.28
CC(C)C(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010800330	0	32	-1.0	-49.08	313.30	4.42	-44.66
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800331	0	33	-1.0	-36.01	322.51	5.12	-30.89
CC(C)C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800331	1	32	-2.0	-117.27	319.89	5.50	-111.77
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800332	0	38	-1.0	-56.26	329.72	4.13	-52.13
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800333	0	37	-1.0	-50.43	343.90	4.07	-46.36
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010800334	0	38	-1.0	-55.10	315.67	3.27	-51.83
COC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300010800335	0	39	-1.0	-53.60	342.54	3.26	-50.34
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010800336	0	35	-1.0	-51.82	312.31	3.12	-48.70
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010800337	0	34	-1.0	-51.06	311.84	4.50	-46.56
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800338	0	42	-1.0	-48.88	361.06	0.51	-48.37
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C2S1	REAL300010800339	0	43	-1.0	-45.67	388.27	6.65	-39.02
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010800340	0	37	-1.0	-66.08	321.23	2.76	-63.32
CC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010800341	0	36	-1.0	-57.37	324.36	-0.95	-58.32
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800342	0	37	-1.0	-51.17	328.35	4.24	-46.93
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800343	0	39	-1.0	-46.60	343.92	5.36	-41.24
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(Br)=C1	REAL300010800344	0	35	-1.0	-52.77	316.11	3.49	-49.28
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C)OCO2	REAL300010800345	0	37	-1.0	-42.62	311.17	3.13	-39.49
CC(C)C(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010800346	0	37	-1.0	-51.36	339.13	4.70	-46.66
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800347	0	37	-1.0	-46.63	319.39	4.79	-41.84
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800348	0	31	-1.0	-49.14	298.72	4.55	-44.59
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800349	0	37	-1.0	-41.31	305.72	5.18	-36.13
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010800350	0	31	-1.0	-51.75	301.50	4.70	-47.05
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C)OCC(=O)N2	REAL300010800351	0	41	-1.0	-58.06	349.86	0.64	-57.42
CC(C)C([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010800352	0	32	-2.0	-122.46	313.18	5.02	-117.44
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010800352	1	33	-1.0	-37.38	319.73	4.79	-32.59
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010800353	0	33	-1.0	-46.70	314.92	4.59	-42.11
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010800353	1	32	-2.0	-119.01	312.25	5.00	-114.01
CC(C)C(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010800354	0	31	-1.0	-39.19	300.14	4.89	-34.30
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010800354	1	30	-2.0	-119.81	292.50	5.25	-114.56
CC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010800355	0	32	-1.0	-55.60	296.18	1.92	-53.68
CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010800356	0	31	-1.0	-45.36	299.83	4.27	-41.09
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300010800357	0	41	-1.0	-52.33	352.96	4.23	-48.10
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010800358	0	31	-1.0	-48.93	301.25	4.77	-44.16
CC(C)C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010800359	0	34	-1.0	-42.98	312.70	4.80	-38.18
CC(=O)NC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800360	0	34	-1.0	-58.08	318.66	1.07	-57.01
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800360	1	33	-2.0	-96.65	313.41	-0.08	-96.73
CC(C)C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010800361	0	34	-1.0	-42.91	317.26	4.91	-38.00
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010800362	0	35	-1.0	-56.41	318.77	0.72	-55.69
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800363	0	40	-1.0	-61.29	334.65	5.92	-55.37
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800364	0	39	-1.0	-58.56	324.66	1.32	-57.24
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010800365	0	35	-1.0	-56.16	323.34	0.83	-55.33
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800366	0	38	-1.0	-53.81	318.24	3.70	-50.11
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010800367	0	42	-1.0	-47.36	330.66	4.73	-42.63
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010800368	0	35	-1.0	-53.33	324.18	4.61	-48.72
COCCN(CCC#N)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800369	0	40	-1.0	-58.34	339.60	2.06	-56.28
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800370	0	38	-1.0	-57.06	340.73	4.11	-52.95
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010800371	0	34	-1.0	-43.60	276.07	1.88	-41.72
CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010800372	0	32	-1.0	-54.73	308.92	4.21	-50.52
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010800373	0	32	-1.0	-54.14	307.41	4.43	-49.71
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800374	0	37	-1.0	-51.60	323.22	5.17	-46.43
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800375	0	48	-1.0	-50.34	405.62	3.22	-47.12
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010800376	0	37	-1.0	-62.22	330.16	5.03	-57.19
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800377	0	45	-1.0	-56.59	379.28	0.85	-55.74
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800378	0	41	-1.0	-48.72	357.29	0.85	-47.87
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010800379	0	30	-2.0	-131.54	288.43	4.71	-126.83
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010800379	1	31	-1.0	-43.08	287.71	4.30	-38.78
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2CC1	REAL300010800380	0	48	-1.0	-63.81	380.71	5.42	-58.39
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010800381	0	40	-1.0	-42.67	353.82	4.97	-37.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300010800382	0	41	-1.0	-50.71	365.06	5.26	-45.45
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800383	0	40	-1.0	-43.69	345.23	6.31	-37.38
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800384	0	40	-1.0	-43.32	341.07	6.02	-37.30
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800385	0	41	-1.0	-60.53	346.98	2.47	-58.06
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800386	0	45	-1.0	-52.33	380.17	5.00	-47.33
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010800387	0	31	-1.0	-42.55	295.98	4.18	-38.37
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010800387	1	30	-2.0	-130.99	291.89	3.88	-127.11
CC(C)C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010800388	0	44	-1.0	-40.79	364.16	4.97	-35.82
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010800389	0	40	-1.0	-50.15	363.38	5.53	-44.62
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010800389	1	39	-2.0	-119.83	362.90	5.25	-114.58
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010800390	0	33	-1.0	-41.68	313.29	5.28	-36.40
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010800390	1	32	-2.0	-124.83	308.10	5.70	-119.13
CC(C)C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010800391	0	40	-1.0	-66.65	328.53	0.62	-66.03
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800392	0	38	-2.0	-126.81	338.26	4.78	-122.03
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300010800393	0	42	-1.0	-55.62	365.00	3.29	-52.33
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010800394	0	43	-1.0	-42.78	363.80	5.69	-37.09
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800395	0	45	-1.0	-59.89	384.40	1.72	-58.17
COCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800396	0	42	-1.0	-50.00	351.66	3.05	-46.95
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800397	0	44	-1.0	-47.23	370.31	4.93	-42.30
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1C	REAL300010800398	0	43	-1.0	-51.40	363.62	5.63	-45.77
CC(C)C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010800399	0	34	-1.0	-53.13	304.61	4.87	-48.26
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800400	0	43	-1.0	-45.61	364.70	5.82	-39.79
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800401	0	37	-1.0	-56.04	342.86	6.15	-49.89
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800401	1	36	-2.0	-136.21	339.50	6.57	-129.64
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800402	0	34	-1.0	-55.54	307.17	4.83	-50.71
CC(C)C(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010800403	0	47	-1.0	-57.25	368.22	4.80	-52.45
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)SC=N1	REAL300010800404	0	36	-1.0	-43.54	316.22	2.70	-40.84
CC(C)C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010800405	0	37	-1.0	-55.27	329.39	5.45	-49.82
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800406	0	40	-1.0	-44.50	347.39	5.12	-39.38
CC(C)C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010800407	0	41	-1.0	-46.77	343.07	6.92	-39.85
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800408	0	45	-1.0	-54.98	386.01	1.26	-53.72
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010800409	0	34	-1.0	-56.06	307.94	4.72	-51.34
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300010800410	0	43	-1.0	-58.84	373.75	4.76	-54.08
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010800411	0	37	-1.0	-61.03	337.36	1.40	-59.63
CC(C)C(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010800412	0	35	-1.0	-57.82	317.22	4.37	-53.45
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010800413	0	34	-1.0	-53.66	305.02	4.38	-49.28
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800414	0	33	-1.0	-39.94	287.47	2.62	-37.32
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010800415	0	34	-1.0	-56.58	306.89	2.83	-53.75
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010800415	1	33	-2.0	-139.42	307.56	3.34	-136.08
CC(C)C(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800416	0	32	-1.0	-40.27	297.01	2.48	-37.79
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800417	0	44	-1.0	-59.74	366.82	4.41	-55.33
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010800418	0	34	-2.0	-108.34	318.57	3.20	-105.14
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010800418	1	35	-1.0	-53.84	316.53	2.26	-51.58
CCOC(=O)CC1(S(=O)(=O)NC(C(=O)[O-])C(C)C)CC1	REAL300010800419	0	40	-1.0	-64.30	320.43	4.51	-59.79
CC(C)C(NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010800420	0	48	-1.0	-54.00	408.28	3.82	-50.18
CC(C)C(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010800421	0	32	-1.0	-49.26	314.72	4.45	-44.81
CC(C)C([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010800421	1	31	-2.0	-115.98	314.22	4.16	-111.82
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800422	0	42	-1.0	-57.98	366.46	2.83	-55.15
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300010800423	0	46	-1.0	-54.94	383.81	6.34	-48.60
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800424	0	43	-1.0	-57.80	371.23	2.65	-55.15
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010800425	0	36	-1.0	-52.51	317.30	0.72	-51.79
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C(C)C)CCCC1	REAL300010800426	0	43	-1.0	-62.64	341.89	4.50	-58.14
CC(C)C(NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010800427	0	30	-1.0	-38.40	302.92	2.79	-35.61
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800428	0	38	-1.0	-54.19	344.67	3.77	-50.42
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300010800429	0	37	-1.0	-41.00	323.24	5.02	-35.98
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010800430	0	42	-1.0	-52.32	376.33	6.89	-45.43
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800431	0	40	-1.0	-59.68	347.90	4.96	-54.72
CC(C)C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010800432	0	33	-1.0	-59.41	304.46	3.07	-56.34
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010800433	0	37	-1.0	-57.05	332.24	5.46	-51.59
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C(C)C)CCC1	REAL300010800434	0	40	-1.0	-63.22	331.86	3.89	-59.33
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010800435	0	31	-1.0	-40.22	301.44	3.70	-36.52
CC(C)C(NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010800436	0	35	-1.0	-44.51	320.68	4.57	-39.94
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1I	REAL300010800437	0	34	-1.0	-53.69	312.19	5.10	-48.59
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800438	0	44	-1.0	-60.69	377.40	3.81	-56.88
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800439	0	47	-1.0	-59.65	402.65	4.81	-54.84
COC(=O)C1(CS(=O)(=O)NC(C(=O)[O-])C(C)C)CCCCC1	REAL300010800440	0	46	-1.0	-60.97	353.24	4.99	-55.98
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1C	REAL300010800441	0	39	-1.0	-43.65	339.87	2.96	-40.69
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010800442	0	35	-1.0	-45.50	325.03	3.47	-42.03
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800443	0	40	-1.0	-55.23	360.92	5.54	-49.69
CC(C)C(NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010800444	0	32	-1.0	-48.75	297.59	3.95	-44.80
CC(C)C(NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010800445	0	47	-1.0	-63.27	403.89	5.40	-57.87
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010800446	0	33	-1.0	-41.97	317.26	3.29	-38.68
CC(C)C(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010800447	0	44	-1.0	-40.76	320.80	5.43	-35.33
CC(C)C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010800448	0	40	-1.0	-47.50	338.47	5.21	-42.29
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010800449	0	32	-1.0	-47.30	294.35	3.25	-44.05
CC(C)C(NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010800450	0	37	-1.0	-58.26	322.67	5.06	-53.20
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010800451	0	34	-1.0	-51.83	307.99	2.48	-49.35
CC(C)C([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010800451	1	33	-2.0	-129.47	310.07	2.18	-127.29
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800452	0	33	-1.0	-50.33	309.65	5.56	-44.77
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800452	1	32	-2.0	-119.58	308.46	5.38	-114.20
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010800453	0	40	-1.0	-42.69	345.78	4.79	-37.90
CC1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C2N=C1Cl	REAL300010800454	0	39	-1.0	-50.62	343.27	4.85	-45.77
CC(C)C(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010800455	0	40	-1.0	-54.40	320.80	4.61	-49.79
CC(C)C(NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010800456	0	41	-1.0	-45.45	346.72	4.25	-41.20
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300010800457	0	58	-1.0	-42.28	423.64	9.39	-32.89
CC(C)C(NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010800458	0	36	-1.0	-45.45	306.54	4.93	-40.52
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800459	0	43	-1.0	-58.66	373.13	5.82	-52.84
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800460	0	36	-1.0	-51.93	309.59	3.20	-48.73
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800461	0	38	-1.0	-41.28	334.10	3.76	-37.52
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)CCC2=C1	REAL300010800462	0	43	-1.0	-53.80	356.08	5.27	-48.53
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010800463	0	39	-1.0	-45.24	329.39	4.48	-40.76
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010800464	0	34	-1.0	-46.74	309.82	4.06	-42.68
CC(C)C([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010800464	1	33	-2.0	-130.59	302.27	4.35	-126.24
CC(C)C(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800465	0	34	-1.0	-43.80	308.44	5.12	-38.68
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800465	1	33	-2.0	-132.75	311.86	5.94	-126.81
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800466	0	45	-1.0	-57.74	394.97	2.01	-55.73
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800466	1	44	-2.0	-97.65	387.49	2.04	-95.61
CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010800467	0	34	-1.0	-38.63	314.14	4.80	-33.83
CC(C)C(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010800468	0	40	-1.0	-52.02	356.66	1.79	-50.23
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300010800469	0	40	-1.0	-47.61	336.17	6.45	-41.16
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800470	0	40	-1.0	-55.33	351.90	5.43	-49.90
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010800471	0	46	-1.0	-59.53	394.48	4.09	-55.44
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800472	0	44	-1.0	-56.98	367.40	3.88	-53.10
CC(C)C(NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010800473	0	34	-1.0	-48.31	310.06	4.67	-43.64
CC(C)C(NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010800474	0	37	-1.0	-55.59	318.58	5.82	-49.77
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(CC)=C1	REAL300010800475	0	49	-1.0	-52.05	366.04	8.23	-43.82
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300010800476	0	50	-1.0	-50.78	412.44	4.28	-46.50
CC(C)C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010800477	0	38	-1.0	-62.53	323.52	3.19	-59.34
CC(C)C(NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010800478	0	33	-1.0	-56.14	315.63	3.35	-52.79
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800479	0	39	-1.0	-45.56	342.11	3.20	-42.36
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010800480	0	39	-1.0	-51.63	342.12	2.06	-49.57
CC(C)C(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010800481	0	36	-1.0	-49.97	323.11	-1.54	-51.51
CC(C)C(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010800482	0	42	-1.0	-56.11	345.45	0.69	-55.42
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010800483	0	35	-1.0	-50.05	312.36	3.33	-46.72
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010800484	0	34	-1.0	-40.19	291.31	0.64	-39.55
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800485	0	44	-1.0	-59.81	365.55	4.60	-55.21
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300010800486	0	40	-1.0	-56.66	339.57	6.47	-50.19
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010800487	0	35	-1.0	-43.95	312.75	3.67	-40.28
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010800488	0	35	-1.0	-43.75	323.08	4.13	-39.62
COC(=O)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800489	0	40	-1.0	-56.38	349.94	4.93	-51.45
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800490	0	44	-1.0	-59.64	358.44	5.44	-54.20
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800491	0	35	-1.0	-44.79	308.30	3.48	-41.31
CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010800492	0	34	-1.0	-56.71	331.25	5.33	-51.38
CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010800493	0	34	-1.0	-54.45	327.99	5.32	-49.13
CC(C)C(NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010800494	0	34	-1.0	-47.83	307.09	2.54	-45.29
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010800495	0	39	-1.0	-60.13	335.23	5.37	-54.76
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800496	0	47	-1.0	-47.76	378.03	5.76	-42.00
CC(C)C(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010800497	0	38	-1.0	-46.59	344.79	5.93	-40.66
CC(C)C(NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010800498	0	38	-1.0	-62.51	338.72	5.40	-57.11
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800499	0	34	-1.0	-47.96	314.21	0.73	-47.23
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800500	0	40	-1.0	-50.71	350.21	5.17	-45.54
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800501	0	40	-1.0	-44.01	367.14	5.26	-38.75
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010800502	0	34	-1.0	-56.23	307.89	4.67	-51.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010800503	0	34	-1.0	-41.66	304.35	4.60	-37.06
CC(C)C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010800504	0	37	-1.0	-65.99	320.94	4.49	-61.50
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=N1	REAL300010800505	0	40	-1.0	-44.94	352.12	4.93	-40.01
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1F	REAL300010800506	0	37	-1.0	-46.85	343.47	4.73	-42.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800506	1	36	-2.0	-130.11	343.24	4.39	-125.72
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800507	0	40	-1.0	-47.05	348.85	4.88	-42.17
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800508	0	38	-1.0	-53.05	318.88	3.67	-49.38
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800509	0	37	-1.0	-55.38	326.99	5.40	-49.98
CC(C)C(NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010800510	0	44	-1.0	-42.37	350.89	3.62	-38.75
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010800511	0	46	-1.0	-48.12	381.53	1.28	-46.84
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010800512	0	39	-1.0	-48.18	320.19	4.73	-43.45
CC(C)C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010800513	0	38	-1.0	-61.18	332.00	1.33	-59.85
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010800514	0	31	-1.0	-48.25	290.10	4.01	-44.24
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)SC(Br)=C1	REAL300010800515	0	31	-1.0	-39.64	295.78	4.04	-35.60
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010800516	0	40	-1.0	-49.45	327.27	3.89	-45.56
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800517	0	41	-1.0	-53.22	344.16	2.45	-50.77
CC(C)C(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010800518	0	37	-1.0	-41.97	319.11	5.05	-36.92
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010800519	0	37	-1.0	-59.34	318.22	4.98	-54.36
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010800520	0	37	-1.0	-57.36	328.74	5.39	-51.97
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800521	0	35	-1.0	-52.78	326.09	4.07	-48.71
COC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C)C(=O)NCCC2	REAL300010800522	0	46	-1.0	-50.77	378.06	2.50	-48.27
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S2)C1	REAL300010800523	0	42	-1.0	-46.71	358.69	3.94	-42.77
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)SC2=CC=C(C#N)C=C12	REAL300010800524	0	38	-1.0	-42.08	342.76	6.14	-35.94
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCOC1	REAL300010800525	0	42	-1.0	-54.21	332.05	1.26	-52.95
CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010800526	0	34	-1.0	-54.56	317.65	4.88	-49.68
CC(C)C(NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010800527	0	35	-1.0	-48.83	324.34	0.99	-47.84
CC(C)C([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010800527	1	34	-2.0	-125.00	319.54	1.25	-123.75
CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010800528	0	34	-1.0	-55.29	314.43	4.77	-50.52
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010800529	0	31	-1.0	-48.53	308.98	4.65	-43.88
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800530	0	38	-1.0	-54.08	329.58	1.06	-53.02
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800531	0	56	-1.0	-53.66	453.15	8.47	-45.19
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800532	0	46	-1.0	-55.83	377.40	5.79	-50.04
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800533	0	41	-1.0	-57.33	365.72	5.75	-51.58
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010800534	0	31	-1.0	-47.61	293.85	4.14	-43.47
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800535	0	37	-1.0	-50.53	326.14	4.16	-46.37
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300010800536	0	45	-1.0	-46.79	373.90	6.51	-40.28
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010800537	0	45	-1.0	-52.29	384.98	6.80	-45.49
CC(C)C(NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010800538	0	30	-1.0	-47.38	278.92	3.06	-44.32
CC(C)C([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010800538	1	29	-2.0	-135.18	273.09	2.65	-132.53
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2)=N1	REAL300010800539	0	43	-1.0	-60.31	362.75	3.45	-56.86
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1=CC=C(F)C=C1	REAL300010800540	0	41	-1.0	-55.76	349.22	4.56	-51.20
CC(C)C(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010800541	0	43	-1.0	-55.88	351.46	4.88	-51.00
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)N(C)N=C1	REAL300010800542	0	37	-1.0	-47.69	318.03	2.56	-45.13
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010800543	0	39	-1.0	-52.99	349.43	2.34	-50.65
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010800544	0	43	-1.0	-55.37	359.17	6.39	-48.98
COC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800545	0	42	-1.0	-46.61	350.59	2.54	-44.07
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1F	REAL300010800546	0	37	-1.0	-46.95	338.53	4.35	-42.60
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800546	1	36	-2.0	-135.13	328.09	4.53	-130.60
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(Cl)C=C21	REAL300010800547	0	42	-1.0	-55.95	366.01	5.24	-50.71
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800548	0	44	-1.0	-53.53	360.98	5.18	-48.35
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCC1	REAL300010800549	0	44	-1.0	-55.60	344.54	3.75	-51.85
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300010800550	0	47	-1.0	-56.65	364.38	4.56	-52.09
CC(C)C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010800551	0	34	-1.0	-42.79	305.63	3.00	-39.79
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010800552	0	50	-1.0	-51.92	402.36	6.57	-45.35
CC(C)C(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010800553	0	34	-1.0	-52.31	317.52	3.29	-49.02
COC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800554	0	35	-1.0	-53.14	302.76	3.36	-49.78
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300010800555	0	39	-1.0	-50.36	331.16	5.98	-44.38
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010800556	0	38	-1.0	-51.18	316.85	3.31	-47.87
CC(C)C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010800557	0	44	-1.0	-50.76	370.61	5.77	-44.99
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)O1	REAL300010800558	0	37	-1.0	-45.43	323.32	2.86	-42.57
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)O1	REAL300010800558	1	36	-2.0	-127.51	320.75	3.17	-124.34
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300010800559	0	44	-1.0	-63.73	362.81	5.27	-58.46
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800560	0	37	-1.0	-58.23	332.54	5.55	-52.68
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C1	REAL300010800561	0	42	-1.0	-49.09	357.44	4.13	-44.96
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010800562	0	34	-1.0	-47.83	314.15	2.23	-45.60
CC(C)C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010800563	0	42	-1.0	-53.80	373.45	7.62	-46.18
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800564	0	34	-1.0	-51.37	309.15	4.78	-46.59
CC(C)C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010800565	0	41	-1.0	-50.92	339.80	7.03	-43.89
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300010800566	0	51	-1.0	-54.17	428.21	8.43	-45.74
CC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800567	0	37	-1.0	-57.99	334.59	5.46	-52.53
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800568	0	38	-1.0	-47.71	335.58	4.13	-43.58
CC(C)C(NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010800569	0	37	-1.0	-45.90	323.33	5.03	-40.87
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1F	REAL300010800570	0	34	-1.0	-52.01	303.30	4.32	-47.69
CC(C)C(NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010800571	0	30	-1.0	-48.04	283.13	1.85	-46.19
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010800571	1	29	-2.0	-125.12	288.06	2.56	-122.56
CC(C)OC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800572	0	40	-1.0	-44.90	333.30	2.57	-42.33
CC(C)C(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010800573	0	37	-1.0	-46.65	296.31	1.33	-45.32
CC(C)C(NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010800574	0	38	-1.0	-60.33	348.39	2.83	-57.50
COC(=O)C1=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)OC=C1	REAL300010800575	0	33	-2.0	-140.39	295.87	3.04	-137.35
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)OC=C1	REAL300010800575	1	34	-1.0	-47.05	301.49	3.03	-44.02
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300010800576	0	44	-1.0	-55.24	353.89	5.21	-50.03
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010800577	0	37	-1.0	-49.72	338.09	5.35	-44.37
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800578	0	39	-1.0	-61.00	339.63	4.57	-56.43
CC(C)C([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800579	0	32	-2.0	-147.16	288.91	2.56	-144.60
CC(C)C(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800579	1	33	-1.0	-49.43	292.98	2.43	-47.00
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800580	0	34	-1.0	-51.60	319.68	5.37	-46.23
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300010800581	0	40	-1.0	-48.28	319.08	6.57	-41.71
CC(C)C(NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010800582	0	38	-1.0	-52.38	341.96	3.60	-48.78
CC1=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C2NC1=O	REAL300010800583	0	40	-1.0	-55.13	338.54	3.18	-51.95
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010800584	0	36	-1.0	-46.28	317.50	2.07	-44.21
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)S1	REAL300010800585	0	40	-1.0	-61.09	350.45	5.06	-56.03
CC(C)C(NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010800586	0	31	-1.0	-51.49	284.06	1.01	-50.48
CC(C)C([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010800586	1	30	-2.0	-122.28	283.94	0.73	-121.55
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(F)C=C1[N+](=O)[O-]	REAL300010800587	0	36	-1.0	-47.88	324.94	4.91	-42.97
CC(C)C(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010800588	0	37	-1.0	-56.60	324.83	4.72	-51.88
CC(C)C(NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010800589	0	48	0.0	-58.51	365.18	2.63	-55.88
CC(C)C(NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010800589	1	47	-1.0	-41.62	365.17	0.19	-41.43
CC(C)C(NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010800590	0	31	-1.0	-42.45	297.22	1.77	-40.68
CC(C)C(NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010800591	0	31	-1.0	-40.15	293.05	2.01	-38.14
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800592	0	35	-1.0	-59.68	306.64	4.79	-54.89
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300010800593	0	40	-1.0	-50.77	342.06	2.09	-48.68
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=N1	REAL300010800594	0	43	-1.0	-52.41	358.65	4.16	-48.25
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(OC)C=C1F	REAL300010800595	0	41	-1.0	-56.18	360.22	4.08	-52.10
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800596	0	41	-1.0	-62.10	340.63	4.23	-57.87
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800597	0	35	-1.0	-52.70	306.98	3.69	-49.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010800598	0	47	-1.0	-53.94	376.81	5.72	-48.22
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010800599	0	43	-1.0	-54.40	345.74	5.70	-48.70
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010800600	0	32	-1.0	-50.77	294.78	3.91	-46.86
CC(C)C(NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010800601	0	34	-1.0	-56.73	311.04	4.69	-52.04
CC(C)C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010800602	0	50	-1.0	-41.67	388.99	7.94	-33.73
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800603	0	36	-1.0	-50.09	331.94	3.69	-46.40
CC(C)C(NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010800604	0	28	-1.0	-46.42	266.68	1.44	-44.98
CC(C)C([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010800604	1	27	-2.0	-134.09	265.42	1.87	-132.22
CC(C)C(NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010800605	0	39	-1.0	-60.10	335.34	4.33	-55.77
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010800606	0	30	-1.0	-48.76	296.19	2.69	-46.07
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010800606	1	29	-2.0	-123.53	291.13	3.10	-120.43
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010800607	0	30	-1.0	-47.97	278.55	1.78	-46.19
CC(C)C([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010800607	1	29	-2.0	-122.28	277.93	2.50	-119.78
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800608	0	34	-1.0	-41.26	298.26	1.52	-39.74
CC(C)C(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010800609	0	36	-1.0	-53.76	322.95	4.29	-49.47
CC(C)C(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010800610	0	33	-1.0	-50.81	307.24	3.31	-47.50
CC(C)C(NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010800611	0	41	-1.0	-45.23	356.34	4.36	-40.87
CC(C)C(NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010800612	0	34	-1.0	-39.01	308.58	4.32	-34.69
CC(C)C(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010800613	0	30	-1.0	-44.00	295.10	1.84	-42.16
CC(C)C(NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010800614	0	33	-1.0	-50.62	326.36	3.63	-46.99
CCS(=O)(CC)=NS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800615	0	37	-1.0	-75.91	313.48	1.09	-74.82
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C([N+](=O)[O-])S1	REAL300010800616	0	33	-1.0	-54.98	304.23	4.78	-50.20
CC(C)C(NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010800617	0	39	-1.0	-56.59	319.73	2.75	-53.84
CCOC(=O)C1(S(=O)(=O)NC(C(=O)[O-])C(C)C)CCC1	REAL300010800618	0	40	-1.0	-52.58	328.26	4.24	-48.34
CC(C)C(NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010800619	0	42	-1.0	-44.88	348.98	0.00	-44.88
CC(C)C(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010800620	0	32	-1.0	-39.73	311.03	2.59	-37.14
COC(=O)C1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800621	0	40	-1.0	-58.02	345.31	4.86	-53.16
CC(C)C([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010800622	0	33	-2.0	-128.85	315.85	4.36	-124.49
CC(C)C(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010800622	1	34	-1.0	-54.54	319.09	4.64	-49.90
CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010800623	0	34	-1.0	-52.00	302.96	2.18	-49.82
CC(C)C([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010800623	1	33	-2.0	-125.06	298.43	2.45	-122.61
CC(C)C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010800624	0	41	-1.0	-45.25	322.14	3.48	-41.77
CC(C)C(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010800625	0	28	-1.0	-39.17	277.96	3.11	-36.06
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010800626	0	43	-1.0	-57.42	339.55	3.86	-53.56
CC(C)C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010800627	0	41	-1.0	-53.54	339.16	3.88	-49.66
CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010800628	0	34	-1.0	-39.98	299.96	2.35	-37.63
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010800629	0	31	-1.0	-46.21	293.53	1.72	-44.49
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010800630	0	33	-1.0	-42.02	300.62	2.49	-39.53
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800631	0	38	-1.0	-58.71	325.74	3.59	-55.12
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010800632	0	45	-1.0	-47.12	371.81	4.69	-42.43
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800633	0	41	-1.0	-53.38	348.16	6.30	-47.08
COC(=O)C1=CNN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800634	0	34	-1.0	-52.09	300.86	1.12	-50.97
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800634	1	33	-2.0	-142.16	301.15	0.95	-141.21
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800635	0	34	-1.0	-51.44	319.68	5.37	-46.07
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800636	0	36	-1.0	-53.29	318.18	4.08	-49.21
CC(C)C(NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010800637	0	40	-1.0	-67.96	332.64	1.55	-66.41
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010800638	0	53	-1.0	-52.73	425.79	7.38	-45.35
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010800639	0	34	-1.0	-52.43	303.51	4.36	-48.07
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010800640	0	42	-1.0	-45.46	362.38	4.31	-41.15
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010800641	0	35	-1.0	-53.58	322.70	5.28	-48.30
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300010800642	0	53	-1.0	-46.31	417.66	7.34	-38.97
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300010800643	0	47	-1.0	-53.12	385.44	6.03	-47.09
CC(C)C(NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010800644	0	38	-1.0	-59.42	331.31	5.40	-54.02
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800645	0	37	-1.0	-40.99	311.28	5.51	-35.48
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800646	0	45	-1.0	-56.73	365.78	3.03	-53.70
CC(C)C(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010800647	0	34	-1.0	-58.15	322.03	5.21	-52.94
CC(C)C(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010800648	0	34	-1.0	-59.75	313.57	4.77	-54.98
CC(C)C(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010800649	0	41	-1.0	-46.60	349.56	5.40	-41.20
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800650	0	37	-1.0	-55.89	328.25	5.35	-50.54
CC1=CN=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800651	0	33	-1.0	-52.24	300.91	2.84	-49.40
COC1=CC=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1F	REAL300010800652	0	35	-1.0	-47.00	314.34	3.67	-43.33
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1F	REAL300010800652	1	34	-2.0	-136.79	315.03	4.07	-132.72
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800653	0	41	-1.0	-55.73	342.47	5.71	-50.02
CCOC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)N(C)N=C1	REAL300010800654	0	40	-1.0	-45.84	335.60	3.40	-42.44
CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010800655	0	35	-1.0	-45.58	315.02	5.13	-40.45
CC(C)C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010800656	0	36	-1.0	-44.65	289.71	0.75	-43.90
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C(C(N)=O)O1	REAL300010800657	0	35	-1.0	-45.28	313.23	-0.81	-46.09
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010800658	0	43	-1.0	-53.20	376.55	5.17	-48.03
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800659	0	44	-1.0	-58.08	370.09	4.26	-53.82
CC(C)C(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010800660	0	40	-1.0	-62.09	329.52	4.16	-57.93
CC(C)C(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010800661	0	31	-1.0	-57.71	282.08	3.79	-53.92
COC(=O)C1=CC=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800662	0	36	-1.0	-48.19	316.87	2.21	-45.98
CC(C)C(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010800663	0	37	-1.0	-55.93	324.38	5.09	-50.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800664	0	47	-1.0	-52.61	387.33	6.31	-46.30
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010800665	0	36	-1.0	-57.19	304.92	4.04	-53.15
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C21	REAL300010800666	0	51	-1.0	-55.63	395.97	6.00	-49.63
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800667	0	38	-1.0	-55.85	331.54	3.61	-52.24
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010800668	0	45	-1.0	-54.21	362.41	3.55	-50.66
CC(C)C(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010800669	0	46	-1.0	-60.08	380.04	6.21	-53.87
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C21	REAL300010800670	0	45	-1.0	-59.71	366.70	5.40	-54.31
CC(C)C(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010800671	0	38	-2.0	-97.14	314.37	3.21	-93.93
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300010800672	0	46	-1.0	-51.90	395.75	7.33	-44.57
CC(C)C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010800673	0	38	-1.0	-54.26	321.69	3.21	-51.05
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010800674	0	38	-1.0	-43.01	310.96	3.08	-39.93
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010800675	0	41	-1.0	-50.23	329.83	4.19	-46.04
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010800676	0	43	-1.0	-47.51	360.47	6.35	-41.16
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800677	0	44	-1.0	-49.00	373.13	4.92	-44.08
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800678	0	41	-1.0	-59.13	342.51	4.21	-54.92
CC(C)C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010800679	0	42	-1.0	-45.17	332.54	1.94	-43.23
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010800680	0	37	-1.0	-52.66	338.59	4.46	-48.20
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010800681	0	37	-1.0	-55.78	321.64	0.74	-55.04
CC(C)C([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010800682	0	27	-2.0	-126.88	262.32	2.56	-124.32
CC(C)C(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010800682	1	28	-1.0	-42.01	270.01	2.30	-39.71
CC(C)C(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010800683	0	38	-1.0	-54.93	310.97	3.37	-51.56
COC1=C(F)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800684	0	35	-1.0	-38.48	311.76	3.00	-35.48
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300010800685	0	35	-1.0	-52.65	309.28	2.95	-49.70
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010800686	0	56	-1.0	-52.39	441.96	8.06	-44.33
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800687	0	47	-1.0	-57.73	365.69	5.12	-52.61
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800688	0	41	-1.0	-57.68	343.92	4.89	-52.79
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010800689	0	54	-1.0	-54.08	436.34	5.99	-48.09
CC(C)C(NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300010800690	0	39	-1.0	-59.02	329.40	4.19	-54.83
CC(C)C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010800691	0	39	-1.0	-52.01	342.40	3.24	-48.77
CC(C)C(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010800692	0	39	-1.0	-45.89	334.13	5.67	-40.22
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800693	0	35	-1.0	-46.07	310.10	4.19	-41.88
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800693	1	34	-2.0	-137.69	306.07	4.54	-133.15
CC1=C(Br)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)S1	REAL300010800694	0	34	-1.0	-41.03	308.02	4.79	-36.24
CC1=CC(Cl)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(Br)=C1	REAL300010800695	0	34	-1.0	-53.70	311.26	5.45	-48.25
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=N1	REAL300010800696	0	36	-1.0	-57.93	318.54	2.29	-55.64
COC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1Br	REAL300010800697	0	37	-1.0	-54.84	334.95	4.75	-50.09
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C21	REAL300010800698	0	48	-1.0	-65.18	382.35	5.60	-59.58
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010800699	0	37	-1.0	-56.73	318.73	4.12	-52.61
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C21	REAL300010800700	0	45	-1.0	-58.07	368.81	5.16	-52.91
CC(C)C(NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010800701	0	31	-1.0	-47.27	293.60	1.67	-45.60
CC(C)C(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010800702	0	33	-1.0	-38.96	299.62	2.62	-36.34
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800703	0	36	-1.0	-54.46	310.04	3.15	-51.31
CC(C)C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010800704	0	35	-1.0	-52.82	326.41	4.10	-48.72
CC(C)C(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010800705	0	34	-1.0	-52.68	312.93	3.18	-49.50
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010800706	0	34	-1.0	-47.74	307.72	4.94	-42.80
CC(C)C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010800707	0	38	-1.0	-52.62	319.51	3.07	-49.55
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300010800708	0	40	-1.0	-41.91	317.49	5.69	-36.22
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300010800709	0	39	-1.0	-54.93	325.65	3.37	-51.56
CC(C)C(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010800710	0	40	-1.0	-64.67	341.14	0.75	-63.92
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010800711	0	32	-1.0	-49.08	313.33	4.42	-44.66
COC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300010800712	0	39	-1.0	-48.32	325.91	3.71	-44.61
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1	REAL300010800713	0	33	-2.0	-120.47	328.89	2.66	-117.81
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800713	1	34	-1.0	-51.34	327.39	2.88	-48.46
CC(C)C(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010800714	0	28	-1.0	-39.07	286.02	3.67	-35.40
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010800715	0	44	-1.0	-46.97	358.09	4.48	-42.49
CC(C)C(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010800716	0	35	-1.0	-60.06	319.31	5.28	-54.78
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010800717	0	38	-1.0	-47.54	329.40	3.47	-44.07
CC(C)C(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010800718	0	33	-2.0	-102.42	303.21	4.16	-98.26
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010800719	0	35	-1.0	-55.98	306.77	3.02	-52.96
CC(C)C(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010800720	0	35	-1.0	-55.07	323.15	4.10	-50.97
CC(C)C(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010800721	0	34	-1.0	-47.07	294.90	2.66	-44.41
CC(C)C([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010800721	1	33	-2.0	-140.52	291.93	2.98	-137.54
CC(C)C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010800722	0	36	-1.0	-53.79	314.49	1.90	-51.89
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010800723	0	31	-2.0	-97.11	311.78	3.25	-93.86
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300010800724	0	37	-1.0	-54.83	322.25	5.62	-49.21
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010800725	0	37	-1.0	-50.43	342.28	4.71	-45.72
CC(C)C(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010800726	0	34	-1.0	-53.47	302.46	3.87	-49.60
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010800727	0	41	-1.0	-47.10	344.73	4.00	-43.10
CC(C)C(NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010800728	0	39	-1.0	-53.64	331.06	3.47	-50.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800729	0	49	-1.0	-58.05	376.38	7.14	-50.91
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010800730	0	37	-1.0	-50.45	342.15	5.40	-45.05
CC(C)C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010800731	0	41	-1.0	-51.32	345.62	4.17	-47.15
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010800732	0	35	-1.0	-42.92	293.32	4.31	-38.61
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010800733	0	42	-1.0	-56.94	369.40	6.42	-50.52
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010800734	0	44	-1.0	-60.24	360.75	1.92	-58.32
COC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010800735	0	40	-1.0	-71.67	334.59	4.92	-66.75
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800736	0	37	-1.0	-52.39	323.90	1.84	-50.55
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010800737	0	32	-1.0	-54.89	292.53	3.88	-51.01
CC(C)C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010800738	0	38	-1.0	-45.65	313.68	3.07	-42.58
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800739	0	35	-1.0	-36.95	322.33	4.80	-32.15
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300010800740	0	43	-1.0	-45.04	366.55	6.37	-38.67
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010800741	0	40	-1.0	-53.47	355.91	6.07	-47.40
CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010800742	0	40	-1.0	-50.17	314.17	3.50	-46.67
CC(C)C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010800743	0	40	-1.0	-46.31	333.36	3.22	-43.09
CC(C)C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010800744	0	38	-1.0	-44.63	317.32	2.56	-42.07
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300010800745	0	36	-1.0	-41.18	319.79	3.32	-37.86
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010800746	0	34	-1.0	-39.52	318.79	4.68	-34.84
CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010800747	0	31	-1.0	-40.57	284.94	3.93	-36.64
CC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010800748	0	31	-1.0	-37.49	297.63	3.57	-33.92
CC(C)C(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010800749	0	36	-1.0	-51.77	291.73	2.45	-49.32
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800750	0	41	-1.0	-56.81	353.16	2.54	-54.27
CC(C)C(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800751	0	28	-1.0	-53.14	273.14	2.23	-50.91
CC(C)C([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010800751	1	27	-2.0	-120.63	272.64	1.93	-118.70
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010800752	0	34	-1.0	-50.51	319.41	4.85	-45.66
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010800753	0	34	-1.0	-53.66	287.44	4.67	-48.99
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800754	0	42	-1.0	-58.53	355.52	5.55	-52.98
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010800755	0	42	-1.0	-46.89	341.86	6.68	-40.21
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010800756	0	41	-1.0	-55.57	353.06	5.23	-50.34
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010800757	0	37	-1.0	-52.43	336.48	4.61	-47.82
CC(C)C(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010800758	0	36	-1.0	-43.18	327.11	4.03	-39.15
CC(C)C(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010800759	0	38	-1.0	-46.34	320.49	1.83	-44.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800760	0	41	-1.0	-50.97	363.09	4.24	-46.73
CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010800761	0	31	-1.0	-38.80	302.21	4.70	-34.10
CC(C)C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010800762	0	31	-1.0	-52.67	287.61	3.88	-48.79
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800763	0	34	-1.0	-55.79	297.16	4.40	-51.39
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800764	0	37	-1.0	-40.91	335.52	3.93	-36.98
CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010800765	0	38	-1.0	-53.19	325.98	5.71	-47.48
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010800766	0	33	-1.0	-39.57	323.74	3.80	-35.77
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010800767	0	41	-1.0	-53.27	332.47	3.90	-49.37
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800768	0	40	-1.0	-49.71	327.53	3.41	-46.30
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800769	0	40	-1.0	-59.02	338.76	0.95	-58.07
CC(C)C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010800770	0	34	-1.0	-58.80	321.58	-0.00	-58.80
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800771	0	40	-1.0	-59.02	338.76	0.95	-58.07
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800772	0	34	-1.0	-55.22	292.62	5.01	-50.21
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800773	0	43	-1.0	-52.15	357.76	7.27	-44.88
CC(C)C(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010800774	0	45	-1.0	-52.88	332.94	4.26	-48.62
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010800775	0	31	-1.0	-52.63	291.94	2.75	-49.88
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010800775	1	30	-2.0	-122.90	294.11	2.50	-120.40
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800776	0	35	-1.0	-53.13	311.79	3.52	-49.61
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010800777	0	45	-1.0	-54.07	363.91	2.51	-51.56
CC(C)C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010800778	0	37	-1.0	-52.87	326.08	5.07	-47.80
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010800779	0	35	-1.0	-53.80	306.81	3.03	-50.77
CC(C)C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010800780	0	46	-1.0	-42.31	364.39	6.18	-36.13
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300010800781	0	42	-1.0	-66.70	343.50	5.90	-60.80
CC(C)C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010800782	0	39	-1.0	-38.99	324.34	3.66	-35.33
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800783	0	41	-1.0	-55.81	349.79	4.21	-51.60
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800784	0	40	-1.0	-58.96	347.64	5.67	-53.29
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010800785	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC(C)C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010800786	0	41	-1.0	-51.37	346.92	4.72	-46.65
CC(C)C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010800787	0	44	-1.0	-54.41	360.06	4.50	-49.91
CC(C)C(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800788	0	34	-1.0	-43.62	311.99	5.24	-38.38
CC(C)C([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010800788	1	33	-2.0	-130.39	315.33	6.05	-124.34
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010800789	0	42	-1.0	-52.92	361.50	6.40	-46.52
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800790	0	43	-1.0	-61.78	357.36	6.41	-55.37
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300010800791	0	37	-1.0	-51.26	325.26	5.18	-46.08
CC(C)C(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010800792	0	36	-1.0	-45.93	328.70	4.97	-40.96
CC(C)C([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010800792	1	35	-2.0	-133.37	328.86	5.36	-128.01
CC(C)C(NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010800793	0	30	-1.0	-44.27	290.86	1.74	-42.53
CC(C)C(NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010800794	0	32	-1.0	-45.39	291.35	3.93	-41.46
CC(C)C(NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010800795	0	35	-1.0	-56.58	306.35	2.92	-53.66
CC(C)C(NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010800796	0	37	-1.0	-53.23	342.69	4.61	-48.62
CC(C)C([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010800796	1	36	-2.0	-122.09	345.53	4.53	-117.56
CC(C)C(NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010800797	0	30	-1.0	-38.55	285.73	2.17	-36.38
CC(C)C(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010800798	0	43	-1.0	-43.87	356.29	1.30	-42.57
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1Cl	REAL300010800799	0	34	-1.0	-43.14	310.09	2.44	-40.70
CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010800800	0	35	-1.0	-43.61	316.04	5.17	-38.44
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2	REAL300010800801	0	37	-1.0	-41.64	350.97	4.71	-36.93
CC(C)C([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010800802	0	30	-2.0	-130.04	290.37	4.79	-125.25
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800803	0	33	-1.0	-46.31	295.21	2.26	-44.05
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800803	1	32	-2.0	-121.60	303.92	3.07	-118.53
CC(C)C(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010800804	0	36	-1.0	-61.41	324.55	4.70	-56.71
CC(C)C(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010800805	0	36	-1.0	-48.00	321.78	4.50	-43.50
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800806	0	33	-1.0	-46.31	295.21	2.26	-44.05
CC(C)C([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010800806	1	32	-2.0	-121.60	303.92	3.07	-118.53
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010800807	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010800808	0	40	-1.0	-48.91	332.00	6.49	-42.42
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800809	0	35	-1.0	-48.98	325.05	4.61	-44.37
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800809	1	34	-2.0	-138.67	314.32	4.71	-133.96
CC(C)C(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010800810	0	38	-1.0	-56.81	330.74	3.90	-52.91
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010800811	0	45	-1.0	-44.16	373.45	5.03	-39.13
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010800812	0	31	-1.0	-48.40	296.30	4.09	-44.31
CC(C)C([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010800812	1	30	-2.0	-125.67	297.77	3.89	-121.78
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)O1	REAL300010800813	0	37	-1.0	-57.19	332.97	-0.13	-57.32
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010800814	0	41	-1.0	-55.25	342.52	4.99	-50.26
CC(C)C(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010800815	0	37	-1.0	-45.61	340.30	0.90	-44.71
CC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010800816	0	35	-1.0	-44.93	307.18	4.76	-40.17
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010800817	0	35	-1.0	-53.53	327.26	5.38	-48.15
CC(C)C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010800818	0	35	-1.0	-44.65	326.83	5.43	-39.22
CC(C)C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010800819	0	36	-1.0	-42.60	310.63	-2.57	-45.17
CC(C)C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010800820	0	33	-1.0	-53.63	298.42	2.84	-50.79
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010800821	0	40	-1.0	-51.51	340.24	2.64	-48.87
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010800821	1	39	-2.0	-145.73	342.14	2.87	-142.86
CC(C)C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010800822	0	48	-1.0	-57.33	347.79	6.40	-50.93
CC(C)C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010800823	0	39	-1.0	-53.90	305.72	3.93	-49.97
CC(C)C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010800824	0	39	-1.0	-66.36	343.19	0.32	-66.04
CC(C)C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010800825	0	44	-1.0	-57.49	345.06	3.88	-53.61
CCOC(=O)C1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2C=CC=CN12	REAL300010800826	0	43	-1.0	-55.31	369.88	5.24	-50.07
CC(C)C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010800827	0	35	-1.0	-63.67	318.77	2.56	-61.11
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2C=C1	REAL300010800828	0	40	-1.0	-61.86	349.28	5.54	-56.32
CC(C)C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010800829	0	41	-1.0	-58.32	354.64	6.37	-51.95
CC(C)C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010800830	0	40	-1.0	-60.68	319.87	0.88	-59.80
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800831	0	40	-1.0	-62.94	339.67	4.35	-58.59
CC(C)C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010800832	0	44	-1.0	-41.17	333.22	5.48	-35.69
CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010800833	0	35	-1.0	-54.37	315.44	4.87	-49.50
COC(=O)C1CCCCN1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800834	0	42	-1.0	-41.02	329.18	4.29	-36.73
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010800835	0	53	-1.0	-47.12	398.46	7.68	-39.44
CC(C)C(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010800836	0	34	-1.0	-57.26	312.94	4.25	-53.01
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800837	0	42	-1.0	-42.92	339.24	4.36	-38.56
CC1=CC=CC(CNS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800838	0	39	-1.0	-52.87	324.18	3.17	-49.70
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=NN1	REAL300010800839	0	37	-1.0	-53.47	328.29	1.31	-52.16
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800839	1	36	-2.0	-113.14	324.88	1.51	-111.63
CCOC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=N[N-]1	REAL300010800839	1	36	-2.0	-113.16	325.06	1.51	-111.65
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300010800840	0	36	-1.0	-57.59	318.65	1.37	-56.22
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)=C1	REAL300010800841	0	33	-2.0	-119.87	324.82	2.56	-117.31
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800841	1	34	-1.0	-51.49	323.32	2.77	-48.72
CC(C)C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010800842	0	43	-1.0	-44.56	326.75	3.92	-40.64
CC(C)C(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010800843	0	42	-1.0	-54.40	344.88	5.19	-49.21
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800844	0	35	-1.0	-45.63	322.23	4.70	-40.93
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800844	1	34	-2.0	-137.29	320.22	5.13	-132.16
CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010800845	0	35	-1.0	-53.22	319.28	4.43	-48.79
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800846	0	35	-1.0	-45.34	311.19	3.17	-42.17
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C(C)C)C(F)=C1	REAL300010800846	1	34	-2.0	-138.81	304.09	3.44	-135.37
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010800847	0	35	-1.0	-56.24	316.38	3.17	-53.07
CC(C)C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010800848	0	37	-1.0	-52.09	315.03	3.45	-48.64
CC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010800849	0	34	-1.0	-52.70	297.40	5.03	-47.67
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010800850	0	40	-1.0	-52.08	345.72	3.94	-48.14
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010800851	0	28	-1.0	-38.05	293.95	3.61	-34.44
CC(C)C([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010800851	1	27	-2.0	-121.19	291.16	3.99	-117.20
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800852	0	44	-1.0	-54.83	355.60	5.81	-49.02
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC2=C1N(C)C(=O)C2(C)C	REAL300010800853	0	48	-1.0	-44.97	387.23	5.42	-39.55
CC(C)C(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010800854	0	34	-1.0	-45.76	321.35	4.83	-40.93
CC(C)C(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010800855	0	36	-1.0	-52.97	318.32	4.11	-48.86
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800856	0	39	-1.0	-57.38	321.30	2.51	-54.87
CC(C)C(NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010800857	0	28	-1.0	-54.17	279.69	2.98	-51.19
CC(C)C([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010800857	1	27	-2.0	-121.29	286.76	3.23	-118.06
CC(C)C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010800858	0	42	-1.0	-53.29	359.64	6.36	-46.93
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010800859	0	37	-1.0	-61.99	304.81	5.45	-56.54
COC(=O)C1=CNN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800860	0	34	-1.0	-52.09	300.86	1.12	-50.97
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800860	1	33	-2.0	-142.16	301.15	0.95	-141.21
CC(C)C(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010800861	0	36	-1.0	-57.97	321.73	2.06	-55.91
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010800862	0	32	-1.0	-43.40	296.09	2.35	-41.05
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800863	0	33	-1.0	-38.28	292.93	2.93	-35.35
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800864	0	42	-1.0	-54.73	356.50	5.15	-49.58
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300010800865	0	41	-1.0	-48.16	350.84	4.32	-43.84
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300010800866	0	35	-1.0	-63.54	306.07	2.91	-60.63
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010800867	0	37	-1.0	-42.30	328.51	6.24	-36.06
CC(=O)OC1CCN(S(=O)(=O)NC(C(=O)[O-])C(C)C)C1	REAL300010800868	0	39	-1.0	-44.42	328.70	2.71	-41.71
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010800869	0	41	-1.0	-43.09	356.80	7.39	-35.70
COC(=O)C1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C(Cl)S1	REAL300010800870	0	34	-1.0	-54.80	323.69	4.52	-50.28
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010800871	0	37	-1.0	-51.12	326.55	5.32	-45.80
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800872	0	44	-1.0	-46.51	360.35	4.82	-41.69
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800873	0	45	-1.0	-46.49	373.16	3.83	-42.66
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010800874	0	37	-1.0	-46.68	332.07	6.46	-40.22
CC(C)C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010800875	0	39	-1.0	-50.89	315.28	1.14	-49.75
CC(C)C(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010800876	0	37	-1.0	-44.52	330.72	3.28	-41.24
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800877	0	45	-1.0	-62.66	375.25	4.09	-58.57
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010800878	0	46	-1.0	-53.77	374.73	3.91	-49.86
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800879	0	34	-1.0	-41.22	293.60	1.41	-39.81
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800880	0	37	-1.0	-44.06	320.96	1.04	-43.02
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300010800881	0	40	-1.0	-44.22	332.32	3.69	-40.53
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800882	0	40	-1.0	-53.24	332.22	3.18	-50.06
CC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010800883	0	30	-1.0	-42.13	300.97	1.59	-40.54
CC(C)C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010800884	0	41	-1.0	-53.94	329.32	1.25	-52.69
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=NO1	REAL300010800885	0	37	-1.0	-56.86	325.14	1.41	-55.45
CC(C)C(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010800886	0	34	-1.0	-52.31	317.52	3.29	-49.02
CC(C)C([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010800887	0	28	-2.0	-130.97	276.31	1.61	-129.36
CC(C)C(NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010800887	1	29	-1.0	-43.41	278.89	1.09	-42.32
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800888	0	35	-1.0	-51.82	314.28	1.50	-50.32
CC1=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)S1	REAL300010800889	0	37	-1.0	-43.00	313.91	4.98	-38.02
CC(C)C(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010800890	0	28	-1.0	-39.07	286.02	3.67	-35.40
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800891	0	35	-1.0	-44.38	323.19	4.03	-40.35
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010800892	0	33	-1.0	-44.37	303.78	2.60	-41.77
COC1=NC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1Cl	REAL300010800893	0	34	-1.0	-43.75	307.54	0.81	-42.94
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800894	0	40	-1.0	-57.01	349.71	2.56	-54.45
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300010800894	1	39	-2.0	-98.17	350.47	1.48	-96.69
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800895	0	38	-1.0	-57.84	335.74	1.43	-56.41
CC(C)C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010800896	0	35	-1.0	-41.53	331.74	5.64	-35.89
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800897	0	36	-1.0	-56.03	320.85	5.50	-50.53
CC(C)C([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010800898	0	29	-2.0	-138.71	287.95	2.64	-136.07
CC(C)C(NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010800898	1	30	-1.0	-42.88	283.48	2.91	-39.97
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010800899	0	42	-1.0	-46.62	338.28	3.82	-42.80
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010800900	0	39	-1.0	-47.65	324.86	4.80	-42.85
COC(=O)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300010800901	0	39	-1.0	-41.71	336.13	2.92	-38.79
CC(C)C(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010800902	0	34	-1.0	-58.41	305.80	5.38	-53.03
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010800903	0	38	-1.0	-42.12	314.82	3.21	-38.91
CC(C)C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010800904	0	38	-1.0	-51.23	323.36	4.71	-46.52
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010800905	0	33	-1.0	-48.99	301.83	2.54	-46.45
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300010800906	0	40	-1.0	-57.10	331.29	3.32	-53.78
CC(C)C(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010800907	0	38	-1.0	-55.54	332.72	5.72	-49.82
CC(C)C(NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010800908	0	33	-1.0	-43.79	293.30	2.51	-41.28
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=C1NCCC2	REAL300010800909	0	43	-1.0	-56.24	339.12	4.37	-51.87
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300010800910	0	45	-1.0	-45.64	377.67	7.08	-38.56
CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010800911	0	38	-1.0	-55.74	328.40	5.71	-50.03
CC(C)C(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010800912	0	28	-1.0	-39.17	277.96	3.11	-36.06
CC(C)C(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010800913	0	35	-1.0	-53.08	318.49	3.98	-49.10
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800914	0	33	-1.0	-38.36	297.57	3.00	-35.36
CC(C)C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010800915	0	36	-1.0	-52.62	305.46	4.01	-48.61
CC1=CC=C(I)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800916	0	34	-1.0	-55.50	312.56	5.46	-50.04
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800917	0	40	-1.0	-61.11	336.19	5.30	-55.81
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010800918	0	42	-1.0	-55.26	357.06	7.65	-47.61
CC(C)C(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010800919	0	34	-1.0	-44.90	302.97	4.43	-40.47
CC(C)C(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010800920	0	30	-1.0	-39.70	282.27	2.28	-37.42
CC(C)C(NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800921	0	33	-1.0	-44.94	282.78	3.64	-41.30
CC(C)C([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010800921	1	32	-2.0	-138.60	285.51	3.51	-135.09
CC(C)C(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010800922	0	34	-1.0	-50.54	295.40	3.04	-47.50
CC(C)C(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010800923	0	39	-1.0	-60.62	325.19	-0.83	-61.45
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010800924	0	33	-1.0	-55.66	304.27	2.73	-52.93
CC(C)C([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010800925	0	29	-2.0	-122.38	296.30	2.62	-119.76
CC(C)C(NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010800925	1	30	-1.0	-53.29	296.69	2.91	-50.38
CC(C)C(NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010800926	0	35	-1.0	-61.88	318.40	2.96	-58.92
CC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010800927	0	35	-1.0	-44.93	307.18	4.76	-40.17
CC(C)C(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010800928	0	35	-1.0	-44.81	322.27	5.33	-39.48
CC(C)C(NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010800929	0	40	-1.0	-60.82	347.00	3.05	-57.77
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010800930	0	38	-1.0	-60.66	325.43	5.81	-54.85
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010800931	0	34	-1.0	-52.05	317.79	5.10	-46.95
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010800932	0	35	-1.0	-49.19	322.70	3.39	-45.80
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300010800933	0	38	-1.0	-62.77	315.19	3.54	-59.23
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010800934	0	44	-1.0	-53.68	371.43	5.06	-48.62
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C1	REAL300010800935	0	44	-1.0	-44.79	368.72	6.07	-38.72
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800936	0	37	-1.0	-40.26	315.95	1.92	-38.34
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800937	0	37	-1.0	-53.26	333.70	5.47	-47.79
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800937	1	36	-2.0	-130.18	333.19	5.23	-124.95
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800938	0	36	-1.0	-46.37	307.47	3.19	-43.18
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800939	0	37	-1.0	-62.60	319.67	5.00	-57.60
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C(C)C	REAL300010800939	1	36	-2.0	-146.12	322.62	4.89	-141.23
CC(C)C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010800940	0	36	-1.0	-53.79	305.34	3.94	-49.85
CC(C)C(NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010800941	0	31	-1.0	-53.68	290.03	4.76	-48.92
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800942	0	37	-1.0	-48.82	313.27	2.81	-46.01
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300010800943	0	42	-1.0	-51.98	367.47	4.51	-47.47
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300010800944	0	39	-1.0	-61.88	328.66	4.85	-57.03
CC(C)C([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010800945	0	26	-2.0	-115.25	264.49	2.30	-112.95
CC(C)C(NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010800945	1	27	-1.0	-37.37	273.28	1.98	-35.39
CC(C)C(NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010800946	0	33	-1.0	-53.60	307.32	2.01	-51.59
CC1=CC(Cl)=CN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300010800947	0	33	-1.0	-56.28	301.76	3.03	-53.25
CC(C)C(NS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010800948	0	33	-1.0	-48.11	291.57	2.95	-45.16
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C(Cl)S1	REAL300010800949	0	31	-1.0	-52.50	294.21	3.90	-48.60
CC(C)C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010800950	0	33	-1.0	-49.14	296.07	2.47	-46.67
CC(C)C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010800951	0	38	-1.0	-53.04	340.74	4.47	-48.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300010800952	0	44	-1.0	-58.74	358.92	5.49	-53.25
CC(C)C(NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010800953	0	35	-2.0	-116.97	317.59	3.52	-113.45
CC(C)C(NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010800953	1	36	-1.0	-55.55	320.80	2.76	-52.79
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300010800954	0	41	-1.0	-55.98	346.22	6.67	-49.31
COC(=O)CC1(CS(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300010800955	0	51	-1.0	-52.50	409.10	8.55	-43.95
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300010800956	0	51	-1.0	-57.09	411.37	10.39	-46.70
CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)S1	REAL300010800957	0	42	-1.0	-52.34	359.33	8.13	-44.21
CCCCS(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800958	0	44	-1.0	-61.47	357.98	7.75	-53.72
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300010800959	0	39	-1.0	-54.04	358.33	8.05	-45.99
CCCC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C=C1	REAL300010800960	0	51	-1.0	-57.22	415.53	10.68	-46.54
COC1=CC=CC=C1S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800961	0	46	-1.0	-54.48	370.05	8.14	-46.34
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010800962	0	42	-1.0	-55.88	362.76	8.44	-47.44
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1	REAL300010800963	0	42	-1.0	-54.00	351.02	8.52	-45.48
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1	REAL300010800964	0	42	-1.0	-61.32	359.60	8.74	-52.58
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)CC1	REAL300010800965	0	41	-1.0	-56.28	362.97	7.11	-49.17
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CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C(F)=C1	REAL300010800980	0	45	-1.0	-54.71	369.41	8.94	-45.77
CC1=CC=CC=C1S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800981	0	45	-1.0	-55.83	353.12	8.73	-47.10
CC1=NC(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CN1C	REAL300010800982	0	45	-1.0	-60.33	369.10	7.23	-53.10
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O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1	REAL300010800984	0	43	-1.0	-60.00	364.46	7.21	-52.79
CC1=CC(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=CC=C1F	REAL300010800985	0	45	-1.0	-55.93	377.81	9.16	-46.77
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CC1=CC=C(F)C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300010800988	0	45	-1.0	-54.61	369.41	8.93	-45.68
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CC1=CC=C(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)C=C1F	REAL300010800990	0	45	-1.0	-57.36	377.82	9.17	-48.19
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1	REAL300010800991	0	42	-1.0	-55.00	364.27	8.77	-46.23
CN1C=NC(S(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300010800992	0	42	-1.0	-59.40	349.69	7.41	-51.99
O=C([O-])C1=CC=CC=C1C1CCN(S(=O)(=O)C2=CC=CN=C2)CC1	REAL300010800993	0	41	-1.0	-56.26	345.62	6.72	-49.54
N#CCCCS(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800994	0	42	-1.0	-71.45	357.34	7.48	-63.97
CN(C1CCCCC1)S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800995	0	53	-1.0	-53.43	406.91	8.97	-44.46
CC1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800996	0	50	-1.0	-50.06	370.17	7.97	-42.09
CC(C)N(C)S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800997	0	46	-1.0	-56.96	361.08	6.89	-50.07
CCCN(CCC)S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800998	0	52	-1.0	-53.57	413.00	8.96	-44.61
CN(CCC#N)S(=O)(=O)N1CCC(C2=CC=CC=C2C(=O)[O-])CC1	REAL300010800999	0	44	-1.0	-56.03	367.15	6.97	-49.06
N#CC1=CC=CC(CS(=O)(=O)N2CCC(C3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300010801000	0	46	-1.0	-66.39	395.76	9.60	-56.79
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1F	REAL300010802151	0	41	-1.0	-51.92	349.11	4.78	-47.14
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010802152	0	41	-1.0	-55.50	364.29	5.09	-50.41
COC(=O)C1CCCCC1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802153	0	46	-1.0	-54.40	371.76	6.19	-48.21
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802154	0	49	-1.0	-52.25	392.68	5.56	-46.69
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802155	0	42	-1.0	-52.44	372.15	6.70	-45.74
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802156	0	41	-1.0	-57.06	356.24	3.43	-53.63
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802157	0	42	-1.0	-51.57	358.92	6.59	-44.98
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010802158	0	39	-1.0	-51.82	351.04	5.04	-46.78
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O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010802160	0	36	-1.0	-56.68	317.32	6.03	-50.65
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010802161	0	31	-1.0	-50.30	304.29	3.27	-47.03
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010802161	1	30	-2.0	-95.20	302.05	2.89	-92.31
N#CC1(CS(=O)(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300010802162	0	44	-1.0	-59.42	354.92	5.44	-53.98
CC1(CS(=O)(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300010802163	0	46	-1.0	-51.15	349.75	6.06	-45.09
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010802164	0	36	-1.0	-54.24	328.14	5.22	-49.02
COC1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802165	0	38	-1.0	-50.32	350.71	4.47	-45.85
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN1C	REAL300010802166	0	44	-1.0	-55.99	382.96	5.57	-50.42
O=C([O-])CCCCCNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010802167	0	47	-1.0	-60.81	411.52	5.64	-55.17
CCC1=NOC2=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C12	REAL300010802168	0	41	-1.0	-54.78	361.15	2.26	-52.52
CCC1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802169	0	36	-1.0	-50.54	329.92	3.13	-47.41
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010802170	0	46	-1.0	-54.25	384.30	5.98	-48.27
O=C([O-])CCCCCNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010802171	0	34	-1.0	-52.54	314.61	5.28	-47.26
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010802171	1	33	-2.0	-104.39	313.72	4.98	-99.41
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Cl)=N1	REAL300010802172	0	36	-1.0	-52.27	318.39	3.35	-48.92
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802173	0	39	-1.0	-52.48	341.17	4.76	-47.72
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010802174	0	41	-1.0	-53.24	357.18	6.23	-47.01
CSC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802175	0	38	-1.0	-51.16	355.13	6.02	-45.14
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802176	0	36	-1.0	-51.93	339.20	4.92	-47.01
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802177	0	44	-1.0	-62.05	382.96	1.10	-60.95
COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C1Cl	REAL300010802178	0	37	-1.0	-51.02	340.75	2.51	-48.51
CC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802179	0	39	-1.0	-54.06	341.15	4.96	-49.10
CCN1C(=O)OC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802180	0	43	-1.0	-56.36	375.85	5.51	-50.85
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010802181	0	49	-1.0	-54.16	413.67	4.98	-49.18
O=C([O-])CCCCCNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010802182	0	33	-1.0	-53.05	321.10	4.30	-48.75
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802183	0	52	0.0	-81.57	416.37	5.73	-75.84
CCC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802184	0	43	-1.0	-53.33	366.56	6.70	-46.63
CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802185	0	40	-1.0	-54.38	350.39	5.97	-48.41
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802186	0	37	-1.0	-49.18	335.91	6.06	-43.12
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010802187	0	38	-1.0	-56.77	338.33	4.60	-52.17
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010802188	0	34	-1.0	-49.55	319.48	4.92	-44.63
COC1=CC=CC(OC)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802189	0	42	-1.0	-55.40	353.90	5.06	-50.34
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010802190	0	43	-1.0	-51.87	361.96	5.97	-45.90
CC1=CC=CC(F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802191	0	37	-1.0	-52.29	314.21	5.28	-47.01
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802192	0	48	-1.0	-53.78	414.18	5.68	-48.10
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2CCCN12	REAL300010802193	0	38	-1.0	-56.39	321.93	3.73	-52.66
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802194	0	35	-1.0	-52.01	322.36	4.98	-47.03
CC1=NC(CS(=O)(=O)NCCCCCC(=O)[O-])=CS1	REAL300010802195	0	36	-1.0	-55.50	330.26	2.94	-52.56
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010802196	0	37	-1.0	-56.08	343.87	3.60	-52.48
COC(=O)CCCCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802197	0	45	-1.0	-57.77	383.71	5.40	-52.37
CN1N=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C21	REAL300010802198	0	39	-1.0	-53.86	344.26	3.67	-50.19
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802199	0	42	-1.0	-54.76	367.08	2.76	-52.00
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010802201	0	37	-1.0	-48.95	355.38	6.06	-42.89
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802202	0	45	-1.0	-56.32	365.86	2.53	-53.79
COC1=C(F)C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802203	0	40	-1.0	-52.01	363.39	5.37	-46.64
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802204	0	44	-1.0	-53.31	390.62	3.90	-49.41
COC1=CC=C(CCS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802205	0	44	-1.0	-54.00	374.67	5.35	-48.65
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010802206	0	37	-1.0	-55.71	337.84	3.43	-52.28
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010802207	0	45	-1.0	-54.63	381.06	5.88	-48.75
CC1=CC=NC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C12	REAL300010802208	0	42	-1.0	-55.47	350.11	6.20	-49.27
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010802209	0	37	-1.0	-51.90	332.10	5.41	-46.49
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010802210	0	37	-1.0	-49.81	336.91	5.29	-44.52
CC1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802211	0	37	-1.0	-49.88	342.63	5.83	-44.05
CSC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802212	0	38	-1.0	-52.09	324.19	4.71	-47.38
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802213	0	45	-1.0	-60.84	379.89	4.55	-56.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010802214	0	46	-1.0	-56.24	372.64	3.39	-52.85
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010802215	0	42	-1.0	-52.57	369.36	5.81	-46.76
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802216	0	44	-1.0	-53.31	390.62	3.90	-49.41
CN(C)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802217	0	42	-1.0	-51.65	351.44	4.94	-46.71
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010802218	0	37	-1.0	-54.54	346.27	5.83	-48.71
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(OC)=C1	REAL300010802219	0	44	-1.0	-53.16	375.12	5.03	-48.13
COC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=CS1	REAL300010802220	0	40	-1.0	-53.52	354.72	5.80	-47.72
COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1F	REAL300010802221	0	38	-1.0	-51.22	335.65	3.92	-47.30
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802222	0	45	-1.0	-54.91	390.09	4.63	-50.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802223	0	48	-1.0	-52.87	407.57	5.75	-47.12
CC(C)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802224	0	43	-1.0	-50.61	353.86	6.64	-43.97
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010802225	0	48	-1.0	-51.33	406.80	7.92	-43.41
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802226	0	42	-1.0	-54.62	372.30	6.70	-47.92
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802227	0	46	0.0	-80.53	378.28	6.45	-74.08
CN(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802228	0	42	-1.0	-51.69	351.40	4.95	-46.74
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2O1	REAL300010802229	0	49	-1.0	-52.79	423.62	7.22	-45.57
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CS1	REAL300010802230	0	37	-1.0	-52.28	335.40	5.14	-47.14
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802231	0	46	-1.0	-54.92	391.22	7.03	-47.89
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010802232	0	34	-1.0	-49.89	323.66	5.15	-44.74
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010802232	1	33	-2.0	-93.43	332.84	5.30	-88.13
CC1=C(Cl)SC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802233	0	34	-1.0	-49.10	328.90	4.77	-44.33
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010802234	0	40	-1.0	-52.35	345.62	5.05	-47.30
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802235	0	38	-1.0	-51.82	327.65	3.59	-48.23
CC1=CC=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010802236	0	42	-1.0	-57.35	356.09	7.52	-49.83
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010802237	0	40	-1.0	-52.44	360.93	6.34	-46.10
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010802238	0	44	-1.0	-49.94	385.56	7.52	-42.42
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802239	0	37	-1.0	-49.55	341.70	6.12	-43.43
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010802240	0	39	-1.0	-53.49	341.10	4.91	-48.58
CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802241	0	40	-1.0	-54.54	350.40	5.97	-48.57
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802242	0	42	-1.0	-54.31	358.62	6.63	-47.68
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010802243	0	34	-1.0	-50.88	331.21	5.73	-45.15
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010802244	0	44	-1.0	-49.94	385.56	7.52	-42.42
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010802245	0	33	-1.0	-49.63	317.63	3.22	-46.41
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010802246	0	34	-1.0	-49.64	336.05	5.62	-44.02
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010802247	0	45	-1.0	-53.80	396.44	4.37	-49.43
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010802248	0	33	-2.0	-97.40	318.76	4.58	-92.82
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802249	0	44	-1.0	-52.60	358.89	6.11	-46.49
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802250	0	37	-1.0	-50.95	327.09	1.23	-49.72
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1C#N	REAL300010802251	0	38	-1.0	-51.58	339.90	5.44	-46.14
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802252	0	40	-1.0	-54.37	359.23	5.23	-49.14
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802253	0	38	-1.0	-51.72	337.16	4.89	-46.83
O=C([O-])CCCCCNS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010802254	0	35	-1.0	-52.35	327.41	3.31	-49.04
O=C([O-])CCCCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010802255	0	47	-1.0	-53.94	388.66	7.84	-46.10
CC(C)(C)C1=CC(CS(=O)(=O)NCCCCCC(=O)[O-])=NO1	REAL300010802256	0	45	-1.0	-55.65	381.79	5.26	-50.39
O=C([O-])CCCCCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010802257	0	51	-1.0	-50.25	396.01	10.65	-39.60
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C12	REAL300010802258	0	48	-1.0	-51.41	394.33	6.75	-44.66
COC1=CC=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802259	0	41	-1.0	-52.27	344.95	4.64	-47.63
COC(=O)C1=CN=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802260	0	39	-1.0	-52.93	349.86	3.39	-49.54
N#CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300010802261	0	35	-1.0	-51.89	340.41	5.44	-46.45
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010802262	0	36	-1.0	-49.37	342.32	5.64	-43.73
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010802262	1	35	-2.0	-90.01	351.47	5.78	-84.23
COC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802263	0	41	-1.0	-51.65	360.98	5.18	-46.47
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802264	0	40	-1.0	-51.15	373.83	5.18	-45.97
CN(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802265	0	41	-1.0	-52.32	348.31	4.40	-47.92
COC1=CC(Cl)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OC	REAL300010802266	0	42	-1.0	-51.31	360.25	3.80	-47.51
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010802267	0	38	-1.0	-52.48	345.39	4.19	-48.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010802268	0	37	-1.0	-50.54	344.24	5.60	-44.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802269	0	45	-1.0	-56.03	391.78	1.50	-54.53
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2S1	REAL300010802270	0	46	-1.0	-53.05	414.55	7.59	-45.46
N#CCC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802271	0	38	-1.0	-57.07	342.16	5.71	-51.36
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010802272	0	40	-1.0	-58.71	350.68	3.96	-54.75
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802273	0	39	-1.0	-59.81	356.68	0.15	-59.66
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802274	0	40	-1.0	-52.85	352.89	4.96	-47.89
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802275	0	42	-1.0	-56.51	364.58	5.87	-50.64
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Br)=C1	REAL300010802276	0	38	-1.0	-50.80	345.85	4.58	-46.22
CC1=CC2=C(C=C1S(=O)(=O)NCCCCCC(=O)[O-])OCO2	REAL300010802277	0	40	-1.0	-52.06	340.70	4.12	-47.94
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802278	0	40	-1.0	-53.51	342.04	5.65	-47.86
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010802279	0	34	-1.0	-48.85	318.31	5.10	-43.75
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802280	0	40	-1.0	-48.40	332.41	6.10	-42.30
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010802281	0	34	-1.0	-49.40	333.11	5.81	-43.59
COC1=CC2=C(C=C1S(=O)(=O)NCCCCCC(=O)[O-])OCC(=O)N2	REAL300010802282	0	44	-1.0	-54.71	371.10	1.60	-53.11
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010802283	0	35	-2.0	-92.26	347.56	5.40	-86.86
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010802283	1	36	-1.0	-49.15	342.58	5.46	-43.69
N#CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802284	0	32	-1.0	-51.35	312.42	4.10	-47.25
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010802285	0	36	-1.0	-49.33	338.84	5.34	-43.99
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010802285	1	35	-2.0	-89.03	343.83	5.28	-83.75
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010802286	0	34	-1.0	-47.93	328.42	5.86	-42.07
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010802286	1	33	-2.0	-92.96	327.69	5.55	-87.41
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010802287	0	35	-1.0	-54.15	318.26	2.93	-51.22
COC1=CN=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802288	0	37	-1.0	-51.71	324.48	2.01	-49.70
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010802289	0	34	-1.0	-51.78	318.79	4.90	-46.88
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OC	REAL300010802290	0	44	-1.0	-54.49	382.00	5.26	-49.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010802291	0	34	-1.0	-48.88	333.11	5.80	-43.08
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010802292	0	37	-1.0	-53.74	340.40	5.77	-47.97
CC(=O)NC1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802293	0	37	-1.0	-58.53	344.58	2.04	-56.49
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802293	1	36	-2.0	-91.97	341.57	0.91	-91.06
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010802294	0	37	-1.0	-53.78	344.97	5.87	-47.91
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802295	0	38	-1.0	-55.35	351.17	1.84	-53.51
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802296	0	43	-1.0	-54.84	365.79	6.98	-47.86
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802297	0	42	-1.0	-58.25	344.17	2.10	-56.15
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802298	0	38	-1.0	-55.14	355.73	1.94	-53.20
CCOC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802299	0	41	-1.0	-52.11	351.28	4.77	-47.34
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C2O1	REAL300010802300	0	45	-1.0	-52.98	371.15	5.81	-47.17
N#CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010802301	0	38	-1.0	-53.30	356.58	5.73	-47.57
COCCN(CCC#N)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802302	0	43	-1.0	-56.25	364.56	2.97	-53.28
CC1=CC=C(CCS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802303	0	43	-1.0	-52.59	366.58	6.73	-45.86
COC1=CC=C(Br)C(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802304	0	41	-1.0	-53.63	369.86	5.12	-48.51
N#CC1CN(S(=O)(=O)NCCCCCC(=O)[O-])CCO1	REAL300010802305	0	38	-1.0	-52.77	329.65	1.76	-51.01
CCN(CC(C)C#N)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802306	0	42	-1.0	-52.80	347.12	4.44	-48.36
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010802307	0	37	-1.0	-53.34	320.25	3.09	-50.25
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802308	0	35	-1.0	-54.45	325.19	4.79	-49.66
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802309	0	35	-1.0	-52.08	326.78	4.91	-47.17
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802310	0	40	-1.0	-49.42	353.35	6.43	-42.99
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010802311	0	40	-1.0	-55.62	349.70	5.59	-50.03
COCCOCCOCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802312	0	48	-1.0	-55.44	408.39	1.86	-53.58
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802313	0	44	-1.0	-60.32	381.13	1.89	-58.43
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010802314	0	33	-2.0	-101.12	320.04	5.03	-96.09
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010802314	1	34	-1.0	-51.92	322.27	5.39	-46.53
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2CC1	REAL300010802315	0	51	-1.0	-56.03	412.64	6.50	-49.53
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(F)(F)F	REAL300010802316	0	43	-1.0	-54.33	384.86	6.01	-48.32
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300010802317	0	44	-1.0	-51.01	393.75	6.15	-44.86
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802318	0	43	-1.0	-50.34	365.97	6.80	-43.54
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802319	0	43	-1.0	-50.20	361.80	6.51	-43.69
CN(C(=O)NCCCCCC(=O)[O-])C1CCS(=O)(=O)C1	REAL300010802320	0	41	-1.0	-58.11	337.49	3.12	-54.99
CNC(=O)C1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802321	0	44	-1.0	-59.46	380.15	3.54	-55.92
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010802322	0	34	-1.0	-50.16	314.91	4.81	-45.35
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010802322	1	33	-2.0	-99.96	319.90	4.75	-95.21
O=C([O-])CCCCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010802323	0	47	-1.0	-55.42	400.70	6.11	-49.31
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010802324	0	43	-1.0	-50.32	387.29	6.26	-44.06
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010802324	1	42	-2.0	-95.01	392.32	6.21	-88.80
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010802325	0	36	-1.0	-52.15	345.98	6.33	-45.82
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010802325	1	35	-2.0	-96.64	345.23	6.01	-90.63
O=C([O-])CCCCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010802326	0	43	-1.0	-61.68	361.05	1.72	-59.96
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802327	0	41	-2.0	-99.03	365.91	5.69	-93.34
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300010802328	0	45	-1.0	-54.33	395.39	4.33	-50.00
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(F)C=C1C	REAL300010802329	0	46	-1.0	-50.96	390.79	6.41	-44.55
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802330	0	48	-1.0	-58.73	411.46	2.74	-55.99
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CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802332	0	47	-1.0	-55.98	396.96	5.94	-50.04
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1C	REAL300010802333	0	46	-1.0	-52.25	392.62	6.66	-45.59
O=C([O-])CCCCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010802334	0	37	-1.0	-50.73	325.89	5.43	-45.30
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802335	0	46	-1.0	-55.66	398.73	6.91	-48.75
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802336	0	40	-1.0	-50.69	373.20	6.83	-43.86
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802336	1	39	-2.0	-103.20	375.01	6.78	-96.42
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010802337	0	37	-1.0	-50.17	341.53	6.65	-43.52
CC(COC1CCCC1)CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802338	0	50	-1.0	-52.78	400.73	5.91	-46.87
CC1=C(CCS(=O)(=O)NCCCCCC(=O)[O-])SC=N1	REAL300010802339	0	39	-1.0	-53.68	348.69	3.77	-49.91
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010802340	0	40	-1.0	-52.92	361.90	6.56	-46.36
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802341	0	43	-1.0	-53.66	374.78	5.86	-47.80
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CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802343	0	48	-1.0	-55.23	419.05	2.34	-52.89
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300010802344	0	37	-1.0	-52.98	340.45	5.83	-47.15
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN1C	REAL300010802345	0	46	-1.0	-54.85	401.94	5.74	-49.11
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Cl	REAL300010802346	0	40	-1.0	-57.00	370.44	2.47	-54.53
O=C([O-])CCCCCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010802347	0	38	-1.0	-52.53	347.67	5.42	-47.11
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010802348	0	37	-1.0	-51.39	332.10	5.41	-45.98
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802349	0	36	-1.0	-50.20	327.60	3.94	-46.26
CC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C(Br)N1C	REAL300010802350	0	37	-1.0	-54.09	340.31	4.11	-49.98
CC1=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(Br)N1C	REAL300010802350	1	36	-2.0	-108.29	338.28	3.62	-104.67
O=C([O-])CCCCCNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010802351	0	35	-1.0	-51.35	323.30	3.40	-47.95
COC(=O)C(C)(C)CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802352	0	42	-1.0	-51.66	348.82	4.47	-47.19
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802353	0	47	-1.0	-59.78	392.06	5.38	-54.40
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010802354	0	37	-2.0	-88.14	337.44	4.15	-83.99
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010802354	1	38	-1.0	-50.81	348.40	3.28	-47.53
CCOC(=O)CC1(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802355	0	43	-1.0	-57.30	360.04	5.90	-51.40
N#CC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300010802356	0	35	-1.0	-49.89	338.61	5.19	-44.70
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C=C1Br	REAL300010802356	1	34	-2.0	-91.95	343.64	5.13	-86.82
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802357	0	45	-1.0	-54.90	391.43	3.92	-50.98
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010802358	0	49	-1.0	-52.10	412.85	7.37	-44.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802359	0	46	-1.0	-57.12	403.58	3.76	-53.36
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COC(=O)C1(CS(=O)(=O)NCCCCCC(=O)[O-])CCCC1	REAL300010802361	0	46	-1.0	-57.45	373.89	5.70	-51.75
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010802362	0	33	-1.0	-49.27	331.20	3.73	-45.54
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802363	0	41	-1.0	-50.94	371.71	4.78	-46.16
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010802364	0	40	-1.0	-49.77	354.35	6.06	-43.71
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010802365	0	45	-1.0	-50.71	405.32	7.91	-42.80
COC(=O)CC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802366	0	43	-1.0	-55.87	376.87	5.98	-49.89
O=C([O-])CCCCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010802367	0	36	-1.0	-54.23	324.25	4.30	-49.93
O=C([O-])CCCCCNS(=O)(=O)CC12CCC(CC1)C2	REAL300010802368	0	44	-1.0	-51.64	344.58	6.00	-45.64
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010802369	0	40	-1.0	-52.62	361.36	6.48	-46.14
COC(=O)C1(CS(=O)(=O)NCCCCCC(=O)[O-])CCC1	REAL300010802370	0	43	-1.0	-57.34	358.88	4.93	-52.41
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010802371	0	34	-1.0	-49.57	332.48	4.74	-44.83
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COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802373	0	47	-1.0	-54.69	409.76	4.91	-49.78
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802374	0	50	-1.0	-54.43	431.62	5.84	-48.59
COC(=O)C1(CS(=O)(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300010802375	0	49	-1.0	-56.45	386.09	6.04	-50.41
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C1C	REAL300010802376	0	42	-1.0	-51.15	366.17	3.89	-47.26
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010802377	0	38	-1.0	-51.59	343.96	4.09	-47.50
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802378	0	43	-1.0	-51.57	393.29	6.63	-44.94
N#CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802379	0	35	-1.0	-52.69	326.62	4.98	-47.71
O=C([O-])CCCCCNS(=O)(=O)CCC1CCOCC1	REAL300010802380	0	44	-1.0	-53.55	357.09	3.83	-49.72
O=C([O-])CCCCCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010802381	0	50	-1.0	-59.51	433.02	6.42	-53.09
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802382	0	37	-1.0	-50.33	329.52	5.16	-45.17
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010802383	0	36	-1.0	-51.18	337.29	3.83	-47.35
O=C([O-])CCCCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300010802384	0	47	-1.0	-51.47	357.34	6.57	-44.90
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010802385	0	43	-1.0	-53.67	364.72	6.14	-47.53
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010802386	0	35	-1.0	-52.83	327.70	3.80	-49.03
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010802387	0	40	-1.0	-55.14	355.84	6.13	-49.01
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010802388	0	37	-1.0	-54.42	339.38	3.50	-50.92
CN1C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010802388	1	36	-2.0	-100.32	336.31	3.02	-97.30
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010802389	0	36	-1.0	-49.84	340.00	6.58	-43.26
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010802389	1	35	-2.0	-95.69	338.79	6.34	-89.35
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(F)C=C1C	REAL300010802390	0	43	-1.0	-51.17	368.94	5.49	-45.68
CC1=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2N=C1Cl	REAL300010802391	0	42	-1.0	-52.68	376.39	5.93	-46.75
O=C([O-])CCCCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300010802392	0	43	-1.0	-51.31	352.96	5.69	-45.62
O=C([O-])CCCCCNS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010802393	0	44	-1.0	-53.10	379.20	5.31	-47.79
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(C)C)=C1	REAL300010802394	0	61	-1.0	-48.66	458.18	10.39	-38.27
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010802395	0	39	-1.0	-52.99	346.71	6.09	-46.90
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802396	0	46	-1.0	-56.31	400.34	6.85	-49.46
COC(=O)C1=NC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802397	0	39	-1.0	-55.51	339.95	4.25	-51.26
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802398	0	41	-1.0	-50.51	368.14	4.85	-45.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010802399	0	41	-1.0	-50.38	349.13	6.65	-43.73
COC1=CC=C2C=C(S(=O)(=O)NCCCCCC(=O)[O-])CCC2=C1	REAL300010802400	0	46	-1.0	-51.83	383.84	6.24	-45.59
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010802401	0	42	-1.0	-51.38	360.45	5.51	-45.87
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010802402	0	37	-1.0	-51.47	336.09	5.00	-46.47
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010802402	1	36	-2.0	-97.53	333.84	4.64	-92.89
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010802403	0	37	-1.0	-51.18	351.21	6.60	-44.58
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010802403	1	36	-2.0	-102.53	348.97	6.23	-96.30
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010802404	0	37	-1.0	-54.45	350.68	5.93	-48.52
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802405	0	43	-1.0	-63.94	384.36	2.77	-61.17
O=C([O-])CCCCCNS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010802406	0	37	-1.0	-53.50	322.00	4.73	-48.77
O=C([O-])CCCCCNS(=O)(=O)CCC1CCCCC1	REAL300010802407	0	46	-1.0	-51.76	365.95	6.22	-45.54
CC1=CC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2C=C1	REAL300010802408	0	43	-1.0	-51.73	367.21	7.48	-44.25
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CS1	REAL300010802409	0	31	-1.0	-51.52	303.74	3.86	-47.66
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010802409	1	30	-2.0	-99.04	305.65	3.64	-95.40
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802410	0	43	-1.0	-51.87	383.22	6.52	-45.35
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010802411	0	49	-1.0	-58.87	421.53	5.10	-53.77
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802412	0	47	-1.0	-56.05	395.88	4.90	-51.15
O=C([O-])CCCCCNS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010802413	0	37	-1.0	-53.71	342.55	5.73	-47.98
O=C([O-])CCCCCNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010802414	0	40	-1.0	-52.66	343.06	6.54	-46.12
CCC1=CC(CC)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(CC)=C1	REAL300010802415	0	52	-1.0	-48.90	399.88	9.28	-39.62
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010802416	0	39	-1.0	-52.83	335.72	4.38	-48.45
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010802417	0	41	-1.0	-55.35	355.91	4.30	-51.05
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010802418	0	36	-1.0	-52.04	348.07	4.46	-47.58
COC1=CC(OC)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802419	0	42	-1.0	-52.73	365.94	4.24	-48.49
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010802420	0	42	-1.0	-54.84	371.07	3.10	-51.74
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802421	0	39	-1.0	-57.39	354.15	-0.50	-57.89
CC(C)(CCS(=O)(=O)NCCCCCC(=O)[O-])S(C)(=O)=O	REAL300010802422	0	45	-1.0	-60.80	373.16	1.66	-59.14
COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Cl	REAL300010802423	0	38	-1.0	-50.50	345.45	4.40	-46.10
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010802424	0	37	-1.0	-53.10	329.86	1.80	-51.30
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802425	0	47	-1.0	-56.00	395.83	5.96	-50.04
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010802426	0	39	-1.0	-52.96	329.61	4.41	-48.55
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010802427	0	43	-1.0	-50.62	370.98	7.53	-43.09
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010802428	0	38	-1.0	-51.49	336.59	4.71	-46.78
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010802429	0	38	-1.0	-51.22	346.91	5.16	-46.06
COC(=O)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802430	0	43	-1.0	-55.79	382.33	6.03	-49.76
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802431	0	47	-1.0	-55.28	391.27	6.48	-48.80
COC(CC(C)C)CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802432	0	46	-1.0	-52.42	370.99	4.46	-47.96
COC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802433	0	38	-1.0	-52.18	326.83	4.44	-47.74
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010802434	0	37	-1.0	-52.14	358.46	6.31	-45.83
O=C([O-])CCCCCNS(=O)(=O)CCCC1CCOC1	REAL300010802435	0	44	-1.0	-54.07	360.71	3.82	-50.25
O=C([O-])CCCCCNS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010802436	0	37	-1.0	-51.72	357.11	6.32	-45.40
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010802437	0	37	-1.0	-51.01	339.52	3.65	-47.36
CCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802438	0	42	-1.0	-54.08	362.37	6.37	-47.71
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802439	0	50	-1.0	-52.15	396.65	6.70	-45.45
N#CCC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802440	0	41	-1.0	-58.52	365.92	6.43	-52.09
COC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802441	0	38	-1.0	-52.21	329.42	3.84	-48.37
COC1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802442	0	37	-1.0	-50.33	343.17	1.77	-48.56
CCOC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802443	0	43	-1.0	-52.38	374.75	5.88	-46.50
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802444	0	43	-1.0	-51.82	393.41	6.19	-45.63
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010802445	0	37	-1.0	-53.22	340.40	5.78	-47.44
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Cl	REAL300010802446	0	37	-1.0	-49.55	335.39	5.64	-43.91
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010802447	0	40	-1.0	-56.90	348.03	5.53	-51.37
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)=N1	REAL300010802448	0	43	-1.0	-52.32	386.15	6.02	-46.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1F	REAL300010802449	0	40	-1.0	-52.81	367.87	5.42	-47.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802449	1	39	-2.0	-101.91	372.80	5.35	-96.56
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802450	0	43	-1.0	-53.48	373.20	5.57	-47.91
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802451	0	41	-1.0	-50.94	351.26	4.77	-46.17
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802452	0	40	-1.0	-53.14	356.10	6.42	-46.72
O=C([O-])CCCCCNS(=O)(=O)CCCC1CCOCC1	REAL300010802453	0	47	-1.0	-53.28	378.59	4.60	-48.68
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010802454	0	49	-1.0	-55.42	414.53	2.35	-53.07
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010802455	0	42	-1.0	-52.81	343.27	5.73	-47.08
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010802456	0	41	-1.0	-58.65	365.03	2.40	-56.25
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010802457	0	34	-1.0	-50.04	322.52	5.11	-44.93
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])SC(Br)=C1	REAL300010802458	0	34	-1.0	-48.74	329.81	5.10	-43.64
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010802459	0	43	-1.0	-52.74	361.66	4.88	-47.86
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802460	0	44	-1.0	-55.21	363.23	3.16	-52.05
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010802461	0	40	-1.0	-53.45	351.58	6.12	-47.33
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1F	REAL300010802462	0	40	-1.0	-53.68	350.73	6.08	-47.60
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010802463	0	40	-1.0	-52.77	357.86	6.41	-46.36
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802464	0	38	-1.0	-50.29	347.43	5.04	-45.25
COC1=CC2=C(C=C1S(=O)(=O)NCCCCCC(=O)[O-])C(=O)NCCC2	REAL300010802465	0	49	-1.0	-59.21	396.54	3.46	-55.75
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCCCCC(=O)[O-])S2)C1	REAL300010802466	0	45	-1.0	-55.82	389.73	4.97	-50.85
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010802467	0	41	-1.0	-52.51	370.16	6.82	-45.69
COC1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802468	0	43	-1.0	-50.56	348.55	2.63	-47.93
COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1CCOC1	REAL300010802469	0	45	-1.0	-52.56	364.70	2.37	-50.19
O=C([O-])CCCCCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010802470	0	37	-1.0	-52.05	346.77	5.89	-46.16
O=C([O-])CCCCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010802471	0	37	-1.0	-52.38	343.55	5.76	-46.62
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010802472	0	34	-1.0	-48.58	337.94	5.68	-42.90
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802473	0	41	-1.0	-58.10	355.85	1.98	-56.12
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802474	0	59	-1.0	-50.54	480.27	9.47	-41.07
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802475	0	49	-1.0	-54.21	409.78	6.89	-47.32
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010802476	0	34	-1.0	-49.94	326.93	5.21	-44.73
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802477	0	40	-1.0	-54.37	359.23	5.23	-49.14
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010802478	0	48	-1.0	-52.44	408.09	7.61	-44.83
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010802479	0	48	-1.0	-53.51	417.40	7.90	-45.61
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC=C1Br	REAL300010802480	0	33	-1.0	-52.99	308.92	3.59	-49.40
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010802480	1	32	-2.0	-105.07	310.19	2.96	-102.11
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C2)=N1	REAL300010802481	0	46	-1.0	-54.48	392.61	4.55	-49.93
COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010802482	0	44	-1.0	-53.69	381.73	5.66	-48.03
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010802483	0	46	-1.0	-54.85	383.98	5.98	-48.87
COC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])N(C)N=C1	REAL300010802484	0	40	-1.0	-52.81	346.74	3.50	-49.31
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300010802485	0	42	-1.0	-51.95	381.82	3.44	-48.51
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C12	REAL300010802486	0	46	-1.0	-53.37	390.99	7.41	-45.96
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802487	0	45	-1.0	-54.55	385.63	3.74	-50.81
CCOC(CS(=O)(=O)NCCCCCC(=O)[O-])C1CC1	REAL300010802488	0	44	-1.0	-52.71	364.00	4.85	-47.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1F	REAL300010802489	0	40	-1.0	-53.00	357.54	4.97	-48.03
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802489	1	39	-2.0	-101.47	362.47	4.91	-96.56
CC(=O)N1CCC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(Cl)C=C21	REAL300010802490	0	45	-1.0	-59.58	382.16	5.72	-53.86
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802491	0	47	-1.0	-51.88	389.95	6.20	-45.68
COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1CCCC1	REAL300010802492	0	47	-1.0	-52.17	377.27	4.87	-47.30
COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1CCCCC1	REAL300010802493	0	50	-1.0	-52.67	391.60	5.57	-47.10
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010802494	0	37	-1.0	-50.58	339.66	4.05	-46.53
CCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(C)C	REAL300010802495	0	53	-1.0	-50.39	431.38	7.60	-42.79
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010802496	0	37	-1.0	-58.52	349.38	4.35	-54.17
COC1=CC(F)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802497	0	38	-1.0	-50.77	326.84	4.44	-46.33
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010802498	0	42	-1.0	-52.67	363.05	7.01	-45.66
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802499	0	41	-1.0	-50.19	346.48	4.43	-45.76
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010802500	0	47	-1.0	-50.99	400.88	6.87	-44.12
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCCCCC(=O)[O-])O1	REAL300010802501	0	40	-1.0	-52.22	357.35	3.91	-48.31
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])O1	REAL300010802501	1	39	-2.0	-96.37	355.11	3.55	-92.82
CCC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=CN1CC1CC1	REAL300010802502	0	47	-1.0	-54.53	392.01	6.46	-48.07
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2C1	REAL300010802503	0	45	-1.0	-57.51	383.36	5.01	-52.50
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802504	0	37	-1.0	-50.39	341.53	3.16	-47.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010802505	0	45	-1.0	-52.20	400.54	8.64	-43.56
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802506	0	37	-1.0	-49.64	341.70	6.11	-43.53
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010802507	0	44	-1.0	-53.57	366.01	7.95	-45.62
CC1=CC=C(Br)C(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802508	0	40	-1.0	-52.67	361.80	6.48	-46.19
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802509	0	41	-1.0	-53.92	368.64	5.18	-48.74
O=C([O-])CCCCCNS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010802510	0	40	-1.0	-53.88	355.81	6.10	-47.78
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1F	REAL300010802511	0	37	-1.0	-52.60	324.81	5.01	-47.59
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010802512	0	33	-1.0	-51.64	314.74	2.89	-48.75
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010802512	1	32	-2.0	-96.43	319.64	2.85	-93.58
CC(C)OC1=CN=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802513	0	43	-1.0	-50.35	364.36	3.60	-46.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010802514	0	40	-1.0	-56.19	343.35	2.63	-53.56
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010802515	0	41	-1.0	-52.31	375.46	3.84	-48.47
COC(=O)C1=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])OC=C1	REAL300010802516	0	36	-2.0	-107.50	331.05	3.56	-103.94
COC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])OC=C1	REAL300010802516	1	37	-1.0	-56.92	331.44	3.90	-53.02
CCC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(C)C=C1OC	REAL300010802517	0	47	-1.0	-51.12	385.78	6.22	-44.90
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010802518	0	40	-1.0	-49.82	371.13	6.42	-43.40
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802519	0	42	-1.0	-53.70	370.39	5.54	-48.16
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCCC(=O)[O-])=N1	REAL300010802520	0	35	-2.0	-112.74	326.02	3.08	-109.66
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCCCCC(=O)[O-])=N1	REAL300010802520	1	36	-1.0	-57.54	324.61	3.42	-54.12
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802521	0	37	-1.0	-49.25	350.73	6.52	-42.73
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010802522	0	43	-1.0	-51.59	350.65	7.60	-43.99
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010802523	0	41	-1.0	-51.76	370.68	4.45	-47.31
N#CCC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802524	0	38	-1.0	-56.92	332.51	5.87	-51.05
CC1=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2NC1=O	REAL300010802525	0	43	-1.0	-55.20	370.98	4.28	-50.92
CN1N=NC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802526	0	39	-1.0	-55.46	343.77	3.00	-52.46
CC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010802527	0	43	-1.0	-53.81	380.15	6.16	-47.65
O=C([O-])CCCCCNS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010802528	0	34	-1.0	-53.77	316.43	2.17	-51.60
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010802528	1	33	-2.0	-97.41	313.34	1.70	-95.71
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010802529	0	39	-1.0	-50.62	345.08	5.59	-45.03
O=C([O-])CCCCCNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010802530	0	40	-1.0	-53.97	355.07	5.73	-48.24
O=C([O-])CCCCCNS(=O)(=O)CCC[NH+]1CCCC1	REAL300010802531	0	46	0.0	-79.44	369.18	5.51	-73.93
C[NH+]1CCN(CCCS(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802532	0	51	0.0	-78.24	401.71	3.77	-74.47
CN1CCN(CCCS(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802532	1	50	-1.0	-53.07	397.65	1.26	-51.81
CN1N=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1Br	REAL300010802533	0	34	-1.0	-50.55	313.23	2.27	-48.28
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802534	0	38	-1.0	-52.49	333.23	5.61	-46.88
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802535	0	43	-1.0	-50.94	369.08	3.10	-47.84
CCCCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=N1	REAL300010802536	0	46	-1.0	-52.67	390.07	5.23	-47.44
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C(OC)C=C1F	REAL300010802537	0	44	-1.0	-53.98	379.61	5.05	-48.93
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802538	0	44	-1.0	-55.21	373.52	5.33	-49.88
COC1=C(F)C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802539	0	38	-1.0	-50.59	324.55	4.65	-45.94
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(C)C	REAL300010802540	0	50	-1.0	-50.67	409.88	6.79	-43.88
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802541	0	46	-1.0	-50.40	378.14	6.81	-43.59
N#CC1=CC(F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802542	0	35	-1.0	-51.35	327.15	5.00	-46.35
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010802543	0	37	-1.0	-52.53	343.56	5.76	-46.77
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010802544	0	53	-1.0	-52.86	425.53	9.07	-43.79
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010802545	0	38	-1.0	-53.88	326.48	4.18	-49.70
O=C([O-])CCCCCNS(=O)(=O)C1=C(Br)NC=N1	REAL300010802546	0	31	-1.0	-53.57	298.19	2.64	-50.93
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010802546	1	30	-2.0	-105.02	298.13	2.11	-102.91
O=C([O-])CCCCCNS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010802547	0	42	-1.0	-57.55	368.52	5.40	-52.15
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010802548	0	33	-1.0	-49.06	313.55	3.22	-45.84
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010802548	1	32	-2.0	-93.28	322.71	3.38	-89.90
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010802549	0	33	-1.0	-51.72	310.15	2.81	-48.91
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010802549	1	32	-2.0	-96.27	315.04	2.78	-93.49
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)N=C1F	REAL300010802550	0	33	-1.0	-52.21	299.69	2.32	-49.89
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010802550	1	32	-2.0	-95.69	304.59	2.28	-93.41
COC1=NC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802551	0	37	-1.0	-50.03	339.61	2.35	-47.68
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010802552	0	39	-1.0	-53.38	355.42	5.39	-47.99
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010802553	0	36	-1.0	-51.07	339.67	4.41	-46.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010802554	0	44	-1.0	-53.14	384.72	5.18	-47.96
O=C([O-])CCCCCNS(=O)(=O)N=S1(=O)CCCC1	REAL300010802555	0	38	-1.0	-64.31	331.13	1.81	-62.50
CC1(CS(=O)(=O)NCCCCCC(=O)[O-])CC1(Cl)Cl	REAL300010802556	0	37	-1.0	-51.08	341.64	5.39	-45.69
O=C([O-])CCCCCNS(=O)(=O)CC1=C(Br)SC=N1	REAL300010802557	0	33	-1.0	-53.82	328.16	2.90	-50.92
CCS(=O)(CC)=NS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802558	0	40	-1.0	-64.27	344.36	2.12	-62.15
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010802559	0	36	-1.0	-53.56	333.73	5.84	-47.72
O=C([O-])CCCCCNS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010802560	0	42	-1.0	-56.85	344.73	3.50	-53.35
CCN1CC(S(=O)(=O)NCCCCCC(=O)[O-])CC1=O	REAL300010802561	0	41	-1.0	-60.12	348.40	3.24	-56.88
CCOC(=O)C1(S(=O)(=O)NCCCCCC(=O)[O-])CCC1	REAL300010802562	0	43	-1.0	-50.95	359.98	5.54	-45.41
CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300010802563	0	45	-1.0	-60.93	385.52	1.13	-59.80
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010802564	0	35	-1.0	-51.75	345.07	3.65	-48.10
COC(=O)C1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802565	0	43	-1.0	-56.57	378.48	5.93	-50.64
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010802566	0	36	-2.0	-102.12	345.25	5.32	-96.80
O=C([O-])CCCCCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010802566	1	37	-1.0	-51.61	346.50	5.60	-46.01
CN1N=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010802567	0	37	-1.0	-50.69	333.55	3.27	-47.42
CN1N=CC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010802567	1	36	-2.0	-95.78	330.81	2.81	-92.97
CN1N=C2CCCCC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802568	0	44	-1.0	-50.83	358.88	4.58	-46.25
O=C([O-])CCCCCNS(=O)(=O)C1=CSC=C1Br	REAL300010802569	0	31	-1.0	-49.80	296.90	3.61	-46.19
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300010802570	0	46	-1.0	-54.03	370.56	4.80	-49.23
O=C([O-])CCCCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010802571	0	44	-1.0	-52.11	367.31	4.90	-47.21
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802572	0	37	-1.0	-49.85	326.15	3.13	-46.72
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Br)=N1	REAL300010802573	0	34	-1.0	-53.57	315.14	2.33	-51.24
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010802574	0	36	-1.0	-50.57	331.91	3.80	-46.77
COC1=CC=C(F)C=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802575	0	41	-1.0	-54.44	358.25	4.70	-49.74
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010802576	0	48	-1.0	-56.27	405.82	5.75	-50.52
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010802577	0	34	-2.0	-89.35	304.79	3.21	-86.14
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1O	REAL300010802577	1	35	-1.0	-50.72	315.75	2.33	-48.39
C=CCCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802578	0	44	-1.0	-50.37	377.12	7.33	-43.04
COC(=O)C1=CNN=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802579	0	37	-1.0	-57.88	328.73	2.10	-55.78
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802579	1	36	-2.0	-114.35	329.95	1.75	-112.60
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802580	0	37	-1.0	-49.21	350.83	6.52	-42.69
CCC1=NN(C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802581	0	40	-1.0	-52.96	344.19	3.65	-49.31
CC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802582	0	39	-1.0	-56.93	344.94	5.01	-51.92
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802583	0	43	-1.0	-62.85	363.51	2.56	-60.29
CCCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(C)C	REAL300010802584	0	56	-1.0	-50.28	452.87	8.38	-41.90
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C#N)=C1	REAL300010802585	0	38	-1.0	-53.73	326.90	4.95	-48.78
CC1=CC=CC(C#N)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802586	0	38	-1.0	-55.82	331.65	5.76	-50.06
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010802587	0	37	-1.0	-51.21	336.59	5.44	-45.77
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010802588	0	45	-1.0	-54.32	377.18	4.73	-49.59
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010802589	0	38	-1.0	-51.22	348.55	6.24	-44.98
CCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(C)(C)C	REAL300010802590	0	56	-1.0	-50.24	443.93	8.26	-41.98
CCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1CC	REAL300010802591	0	50	-1.0	-50.53	414.46	7.06	-43.47
N#CCCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802592	0	41	-1.0	-55.95	363.66	6.50	-49.45
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802593	0	40	-1.0	-48.26	342.75	6.53	-41.73
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802594	0	48	-1.0	-60.38	392.48	4.22	-56.16
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010802595	0	37	-1.0	-53.69	355.21	6.27	-47.42
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010802596	0	37	-1.0	-54.47	346.08	5.86	-48.61
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010802597	0	44	-1.0	-58.44	382.03	6.46	-51.98
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802598	0	40	-1.0	-52.65	360.76	6.45	-46.20
CC1=CN=C(Cl)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802599	0	36	-1.0	-51.77	318.28	3.37	-48.40
COC1=CC=C(Br)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1F	REAL300010802600	0	38	-1.0	-53.75	348.87	4.77	-48.98
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1F	REAL300010802600	1	37	-2.0	-106.02	346.63	4.41	-101.61
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802601	0	44	-1.0	-54.12	374.48	6.85	-47.27
CC(C)(CCS(=O)(=O)NCCCCCC(=O)[O-])C1CC1	REAL300010802602	0	46	-1.0	-51.92	364.20	5.98	-45.94
CCOC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])N(C)N=C1	REAL300010802603	0	43	-1.0	-52.53	368.60	4.43	-48.10
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010802604	0	38	-1.0	-52.23	346.06	6.15	-46.08
CC(F)(F)CCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802605	0	39	-1.0	-55.97	339.37	4.71	-51.26
O=C([O-])CCCCCNS(=O)(=O)CCCC1=CC=CC=C1	REAL300010802606	0	43	-1.0	-53.95	366.66	6.83	-47.12
O=C([O-])CCCCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010802607	0	39	-1.0	-54.43	332.77	1.48	-52.95
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C(C(N)=O)O1	REAL300010802608	0	38	-1.0	-55.44	340.38	0.11	-55.33
CCCC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802609	0	43	-1.0	-50.12	352.76	7.09	-43.03
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(=O)OC	REAL300010802610	0	46	-1.0	-57.64	405.60	6.20	-51.44
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802611	0	47	-1.0	-53.45	401.11	5.32	-48.13
O=C([O-])CCCCCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010802612	0	43	-1.0	-56.32	362.03	5.26	-51.06
O=C([O-])CCCCCNS(=O)(=O)C1=CSC=C1C(F)F	REAL300010802613	0	34	-1.0	-49.75	314.29	4.74	-45.01
COC(=O)C1=CC=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802614	0	39	-1.0	-55.40	350.91	3.33	-52.07
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010802615	0	40	-1.0	-53.57	351.58	6.12	-47.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802616	0	50	-1.0	-53.27	415.47	7.33	-45.94
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010802617	0	39	-1.0	-54.57	336.08	5.09	-49.48
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802618	0	54	-1.0	-57.51	426.52	6.99	-50.52
COC(=O)C1=CN(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802619	0	41	-1.0	-56.48	355.13	4.52	-51.96
N#CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CS1	REAL300010802620	0	32	-1.0	-53.04	300.14	3.39	-49.65
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C21	REAL300010802621	0	48	-1.0	-53.28	395.47	4.62	-48.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010802622	0	49	-1.0	-61.69	410.60	7.20	-54.49
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C21	REAL300010802623	0	48	-1.0	-61.74	400.74	6.48	-55.26
COC1=NC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802624	0	37	-1.0	-52.71	318.18	1.75	-50.96
CCC1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802625	0	45	-1.0	-49.87	357.06	5.00	-44.87
O=C([O-])CCCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010802626	0	41	-2.0	-99.68	345.41	4.24	-95.44
O=C([O-])CCCCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010802627	0	41	-1.0	-52.60	349.81	4.23	-48.37
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010802628	0	41	-1.0	-52.20	342.30	4.14	-48.06
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010802629	0	44	-1.0	-51.47	359.40	4.89	-46.58
COC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300010802630	0	46	-1.0	-53.05	390.65	7.42	-45.63
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802631	0	47	-1.0	-55.88	396.95	5.94	-49.94
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802632	0	44	-1.0	-54.16	373.38	5.36	-48.80
CC1(C)COC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=NN2C1	REAL300010802633	0	45	-1.0	-53.53	370.83	2.59	-50.94
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010802634	0	40	-1.0	-51.63	366.76	5.45	-46.18
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010802635	0	40	-1.0	-53.97	350.64	1.77	-52.20
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010802636	0	30	-2.0	-98.39	299.43	2.85	-95.54
O=C([O-])CCCCCNS(=O)(=O)C1=C(Br)C=CO1	REAL300010802636	1	31	-1.0	-51.41	299.82	3.20	-48.21
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300010802637	0	41	-1.0	-52.43	340.87	4.50	-47.93
COC1=C(F)C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802638	0	38	-1.0	-50.44	345.78	4.09	-46.35
COC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300010802639	0	38	-1.0	-50.82	333.87	3.67	-47.15
CCCCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(C)C	REAL300010802640	0	59	-1.0	-50.25	474.37	9.16	-41.09
COC1=CC(C(C)C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802641	0	50	-1.0	-51.02	403.41	6.66	-44.36
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802642	0	44	-1.0	-51.59	361.20	5.75	-45.84
CC1=CSC(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802643	0	37	-1.0	-48.74	322.61	5.22	-43.52
CC1CC2=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C2O1	REAL300010802644	0	42	-1.0	-53.13	345.29	4.98	-48.15
CC(C)(C)C1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802645	0	42	-1.0	-50.37	368.58	4.21	-46.16
N#CC1(C2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)CC1	REAL300010802646	0	42	-1.0	-55.29	368.16	6.76	-48.53
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802647	0	38	-1.0	-51.74	338.45	5.17	-46.57
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802647	1	37	-2.0	-102.72	334.10	4.85	-97.87
CC1=C(Br)C(S(=O)(=O)NCCCCCC(=O)[O-])=C(C)S1	REAL300010802648	0	37	-1.0	-49.23	344.59	5.93	-43.30
CC1=CC(Cl)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Br)=C1	REAL300010802649	0	37	-1.0	-50.15	345.62	6.54	-43.61
CCC1=CN=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802650	0	39	-1.0	-51.00	337.85	4.16	-46.84
COC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=N1	REAL300010802651	0	39	-1.0	-54.68	350.85	3.38	-51.30
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C21	REAL300010802652	0	51	-1.0	-60.51	409.42	6.62	-53.89
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010802653	0	40	-1.0	-52.77	353.59	5.17	-47.60
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C21	REAL300010802654	0	48	-1.0	-61.44	399.47	6.18	-55.26
O=C([O-])CCCCCNS(=O)(=O)C1=CSC=C1Cl	REAL300010802655	0	31	-1.0	-50.03	294.65	3.54	-46.49
CN1N=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802656	0	34	-1.0	-50.08	321.88	2.66	-47.42
O=C([O-])CCCCCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010802657	0	36	-1.0	-49.96	334.05	3.73	-46.23
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802658	0	39	-1.0	-58.72	340.60	4.15	-54.57
O=C([O-])CCCCCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010802659	0	43	-1.0	-49.99	345.70	4.50	-45.49
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010802660	0	38	-1.0	-53.07	347.89	4.79	-48.28
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010802661	0	35	-1.0	-50.62	314.80	3.33	-47.29
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010802662	0	37	-1.0	-58.96	344.82	4.25	-54.71
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010802663	0	37	-1.0	-51.83	338.76	5.97	-45.86
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802664	0	41	-1.0	-50.95	350.84	4.32	-46.63
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1F	REAL300010802665	0	43	-1.0	-49.53	348.05	6.56	-42.97
COC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300010802666	0	42	-1.0	-51.79	347.57	4.34	-47.45
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010802667	0	43	-1.0	-58.34	368.25	1.77	-56.57
N#CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300010802668	0	35	-1.0	-52.15	340.43	5.44	-46.71
O=C([O-])CCCCCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300010802669	0	37	-1.0	-52.40	322.86	4.50	-47.90
COC1=CC=C(F)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300010802670	0	42	-1.0	-52.90	359.34	4.86	-48.04
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1	REAL300010802671	0	36	-2.0	-92.79	356.31	3.55	-89.24
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802671	1	37	-1.0	-51.28	358.55	3.92	-47.36
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CCCC2)=N1	REAL300010802672	0	47	-1.0	-52.93	373.15	4.79	-48.14
N#CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C2S1	REAL300010802673	0	38	-1.0	-52.67	350.77	6.47	-46.20
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300010802674	0	41	-1.0	-53.56	343.55	3.92	-49.64
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010802675	0	36	-2.0	-97.15	326.59	4.85	-92.30
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010802676	0	38	-1.0	-52.73	339.16	4.12	-48.61
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010802677	0	38	-1.0	-54.57	347.82	4.79	-49.78
O=C([O-])CCCCCNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010802678	0	37	-1.0	-54.24	329.34	3.77	-50.47
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010802678	1	36	-2.0	-107.08	327.10	3.40	-103.68
CN1N=NC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C21	REAL300010802679	0	39	-1.0	-59.39	338.25	2.96	-56.43
O=C([O-])CCCCCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300010802680	0	37	-1.0	-52.40	322.86	4.50	-47.90
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010802681	0	34	-2.0	-87.42	331.19	4.21	-83.21
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300010802682	0	40	-1.0	-50.38	354.14	6.63	-43.75
CC1(C)CCCN(S(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300010802683	0	45	-1.0	-49.79	354.43	4.92	-44.87
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010802684	0	40	-1.0	-51.08	368.12	5.68	-45.40
O=C([O-])CCCCCNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010802685	0	37	-1.0	-52.39	322.90	4.42	-47.97
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CCC2)=N1	REAL300010802686	0	44	-1.0	-53.03	356.19	4.29	-48.74
O=C([O-])CCCCCNS(=O)(=O)NCCC1=CC=CC=C1	REAL300010802687	0	42	-1.0	-51.53	360.54	4.54	-46.99
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802688	0	52	-1.0	-50.30	414.06	8.55	-41.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010802689	0	40	-1.0	-50.94	371.13	6.42	-44.52
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)SC=C1	REAL300010802690	0	31	-1.0	-49.52	295.27	3.66	-45.86
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010802691	0	44	-1.0	-53.05	373.88	5.18	-47.87
O=C([O-])CCCCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010802692	0	38	-1.0	-51.32	331.49	5.52	-45.80
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010802693	0	45	-1.0	-51.35	389.68	7.36	-43.99
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802694	0	47	-1.0	-57.47	389.72	2.95	-54.52
COC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010802695	0	43	-1.0	-59.76	365.34	5.76	-54.00
CCCC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802696	0	43	-1.0	-50.55	364.30	6.76	-43.79
COC(=O)C1=NN(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802697	0	40	-1.0	-53.38	356.20	2.88	-50.50
N#CC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802698	0	35	-1.0	-52.57	311.90	4.35	-48.22
CN1N=C2CCCC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802699	0	41	-1.0	-51.77	344.61	4.10	-47.67
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010802700	0	38	-1.0	-51.35	356.37	5.89	-45.46
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2C=C1	REAL300010802701	0	46	-1.0	-53.92	400.59	7.45	-46.47
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802702	0	43	-1.0	-51.38	348.56	4.21	-47.17
CC(C)(C)N1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802703	0	43	-1.0	-52.61	364.41	4.25	-48.36
O=C([O-])CCCCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010802704	0	41	-1.0	-52.10	349.37	3.60	-48.50
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010802705	0	39	-1.0	-51.12	350.83	4.36	-46.76
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010802706	0	37	-1.0	-49.18	345.06	5.62	-43.56
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(CF)C=C1	REAL300010802707	0	37	-1.0	-51.80	327.90	5.36	-46.44
O=C([O-])CCCCCNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010802708	0	34	-1.0	-50.51	320.83	5.07	-45.44
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010802709	0	34	-1.0	-50.14	331.67	4.64	-45.50
O=C([O-])CCCCCNS(=O)(=O)N1CCC(F)(F)CC1	REAL300010802710	0	39	-1.0	-50.85	327.47	3.72	-47.13
CC(=O)NCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802711	0	44	-1.0	-55.41	382.10	3.57	-51.84
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010802712	0	31	-1.0	-50.30	304.29	3.27	-47.03
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010802712	1	30	-2.0	-95.20	302.05	2.89	-92.31
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010802713	0	37	-1.0	-49.99	351.82	5.97	-44.02
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010802714	0	37	-1.0	-54.62	319.89	6.01	-48.61
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802715	0	45	-1.0	-57.06	384.50	6.58	-50.48
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010802716	0	45	-1.0	-50.76	369.54	7.58	-43.18
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802717	0	44	-1.0	-57.88	380.15	6.23	-51.65
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010802718	0	40	-1.0	-51.00	362.33	5.59	-45.41
O=C([O-])CCCCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010802719	0	40	-1.0	-50.58	342.36	4.98	-45.60
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802720	0	39	-1.0	-53.30	350.94	5.05	-48.25
O=C([O-])CCCCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010802721	0	41	-1.0	-56.95	352.96	2.89	-54.06
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010802722	0	34	-1.0	-49.33	322.87	5.22	-44.11
O=C([O-])CCCCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010802723	0	34	-1.0	-51.18	319.19	4.93	-46.25
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010802724	0	41	-1.0	-50.70	349.11	6.65	-44.05
COC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CS1	REAL300010802725	0	35	-1.0	-51.51	315.72	3.05	-48.46
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010802726	0	37	-1.0	-50.47	331.19	6.19	-44.28
COC(=O)C1=C(C)SC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802727	0	40	-1.0	-51.46	366.08	4.90	-46.56
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010802728	0	41	-1.0	-50.91	347.40	6.40	-44.51
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010802729	0	44	-1.0	-51.32	365.99	4.97	-46.35
CCC(C)N1N=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802730	0	43	-1.0	-50.51	359.86	4.44	-46.07
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802731	0	43	-1.0	-57.66	371.11	2.06	-55.60
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802732	0	37	-1.0	-58.10	353.85	1.04	-57.06
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802733	0	43	-1.0	-57.66	371.11	2.06	-55.60
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CS1	REAL300010802734	0	35	-1.0	-51.36	323.78	4.88	-46.48
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010802735	0	37	-1.0	-52.23	324.86	6.11	-46.12
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802736	0	46	-1.0	-55.36	389.66	8.31	-47.05
CN(C1CCCCCC1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802737	0	48	-1.0	-49.82	370.56	5.53	-44.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010802738	0	34	-1.0	-50.78	323.76	3.76	-47.02
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010802738	1	33	-2.0	-93.80	321.52	3.39	-90.41
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802739	0	38	-1.0	-50.74	333.11	4.49	-46.25
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010802740	0	48	-1.0	-53.47	398.40	3.67	-49.80
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802741	0	40	-1.0	-51.71	353.13	6.08	-45.63
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010802742	0	38	-1.0	-52.78	339.17	4.12	-48.66
O=C([O-])CCCCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010802743	0	49	-1.0	-51.05	395.43	7.20	-43.85
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802744	0	35	-1.0	-50.46	323.70	2.99	-47.47
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C12	REAL300010802745	0	45	-1.0	-56.35	371.36	6.89	-49.46
O=C([O-])CCCCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010802746	0	42	-1.0	-51.29	353.53	4.53	-46.76
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CCF)N=C1	REAL300010802747	0	37	-1.0	-53.09	332.58	3.24	-49.85
CCOCC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802748	0	44	-1.0	-52.12	376.83	5.23	-46.89
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802749	0	43	-1.0	-54.05	379.49	6.78	-47.27
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802750	0	44	-1.0	-52.34	379.60	5.73	-46.61
O=C([O-])CCCCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010802751	0	47	-1.0	-51.92	386.30	5.49	-46.43
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010802752	0	45	-1.0	-51.22	388.60	7.39	-43.83
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1CF	REAL300010802753	0	37	-1.0	-53.05	319.75	5.61	-47.44
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802754	0	46	-1.0	-56.02	388.87	7.28	-48.74
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC(C)=C1Br	REAL300010802755	0	40	-1.0	-49.64	357.61	6.29	-43.35
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010802756	0	39	-1.0	-51.77	361.34	6.02	-45.75
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010802756	1	38	-2.0	-101.42	360.43	5.70	-95.72
O=C([O-])CCCCCNS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010802757	0	33	-1.0	-54.15	323.92	2.81	-51.34
N#CC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1F	REAL300010802758	0	35	-1.0	-55.59	318.47	4.65	-50.94
O=C([O-])CCCCCNS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010802759	0	38	-1.0	-56.43	338.87	4.03	-52.40
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010802760	0	34	-2.0	-89.35	304.79	3.21	-86.14
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1O	REAL300010802760	1	35	-1.0	-50.72	315.75	2.33	-48.39
O=C([O-])CCCCCNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010802761	0	40	-1.0	-51.54	373.30	5.70	-45.84
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010802761	1	39	-2.0	-97.89	374.92	5.49	-92.40
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010802762	0	33	-1.0	-49.66	317.53	3.18	-46.48
N#CC1(OCCS(=O)(=O)NCCCCCC(=O)[O-])CCOCC1	REAL300010802763	0	46	-1.0	-55.73	384.01	2.27	-53.46
CCN1N=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300010802764	0	37	-1.0	-50.39	332.98	3.09	-47.30
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010802765	0	38	-1.0	-52.20	350.07	6.24	-45.96
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCCCCC(=O)[O-])=C2	REAL300010802766	0	40	-1.0	-51.81	385.00	5.77	-46.04
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010802767	0	33	-2.0	-98.83	327.48	5.08	-93.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802768	0	36	-1.0	-52.34	333.78	3.49	-48.85
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802768	1	35	-2.0	-95.05	338.68	3.45	-91.60
O=C([O-])CCCCCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010802769	0	39	-1.0	-56.55	356.38	5.72	-50.83
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010802770	0	39	-1.0	-55.76	353.06	5.54	-50.22
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802771	0	36	-1.0	-52.34	333.78	3.49	-48.85
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010802771	1	35	-2.0	-95.05	338.68	3.45	-91.60
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300010802772	0	43	-1.0	-52.71	358.65	7.43	-45.28
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802773	0	38	-1.0	-53.97	351.77	5.55	-48.42
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802773	1	37	-2.0	-107.09	349.53	5.18	-101.91
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010802774	0	41	-1.0	-53.57	357.86	4.91	-48.66
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802775	0	48	-1.0	-53.37	404.50	6.06	-47.31
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010802776	0	34	-1.0	-50.57	320.24	4.84	-45.73
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010802776	1	33	-2.0	-95.48	325.21	4.78	-90.70
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCCCCC(=O)[O-])O1	REAL300010802777	0	40	-1.0	-60.56	363.57	0.84	-59.72
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010802778	0	44	-1.0	-52.74	367.18	5.44	-47.30
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010802779	0	40	-1.0	-53.83	368.59	2.14	-51.69
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010802780	0	38	-1.0	-51.67	338.22	5.79	-45.88
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010802781	0	38	-1.0	-51.22	353.11	6.34	-44.88
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010802782	0	38	-1.0	-51.17	353.11	6.35	-44.82
O=C([O-])CCCCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300010802783	0	39	-1.0	-61.24	343.11	-1.51	-62.75
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010802784	0	37	-1.0	-56.46	327.74	4.85	-51.61
O=C([O-])CCCCCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300010802785	0	40	-1.0	-54.10	336.52	5.04	-49.06
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010802786	0	36	-1.0	-53.24	330.87	3.94	-49.30
O=C([O-])CCCCCNS(=O)(=O)CCOC1CCOC1	REAL300010802787	0	42	-1.0	-53.83	354.74	1.74	-52.09
CC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010802788	0	43	-1.0	-55.00	373.77	3.73	-51.27
CC1=NC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010802788	1	42	-2.0	-111.76	373.72	3.15	-108.61
O=C([O-])CCCCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010802789	0	51	-1.0	-51.56	376.91	7.43	-44.13
CC1(C)COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300010802790	0	44	-1.0	-54.31	360.49	3.72	-50.59
O=C([O-])CCCCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300010802791	0	37	-1.0	-60.72	330.90	0.23	-60.49
CC(C)(CS(=O)(=O)NCCCCCC(=O)[O-])C(C)(F)F	REAL300010802792	0	42	-1.0	-51.14	338.91	5.01	-46.13
CS(=O)(=O)CCCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802793	0	42	-1.0	-62.85	370.40	1.35	-61.50
CC1(C)CCC(CS(=O)(=O)NCCCCCC(=O)[O-])OC1	REAL300010802794	0	47	-1.0	-53.77	374.18	4.91	-48.86
CCOC(=O)C1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C2C=CC=CN12	REAL300010802795	0	46	-1.0	-57.70	400.33	6.38	-51.32
O=C([O-])CCCCCNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010802796	0	44	-1.0	-51.92	370.44	6.84	-45.08
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010802797	0	38	-1.0	-57.42	347.89	3.58	-53.84
COC(=O)C1=CN2C=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C2C=C1	REAL300010802798	0	43	-1.0	-56.49	381.33	6.43	-50.06
O=C([O-])CCCCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010802799	0	44	-1.0	-55.30	383.21	7.44	-47.86
O=C([O-])CCCCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010802800	0	43	-1.0	-55.95	353.96	1.99	-53.96
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802801	0	43	-1.0	-57.94	372.86	5.42	-52.52
O=C([O-])CCCCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010802802	0	47	-1.0	-51.63	367.25	6.53	-45.10
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010802803	0	38	-1.0	-50.37	343.74	5.85	-44.52
COC(=O)C1CCCCN1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802804	0	45	-1.0	-54.62	366.61	5.06	-49.56
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300010802805	0	56	-1.0	-50.17	429.50	8.72	-41.45
N#CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802806	0	37	-1.0	-57.14	345.37	5.36	-51.78
COC1=CC=C(C=C(C)S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802807	0	45	-1.0	-51.65	373.24	5.41	-46.24
CC1=CC=CC(CNS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802808	0	42	-1.0	-51.07	360.45	4.44	-46.63
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=NN1	REAL300010802809	0	40	-1.0	-52.49	358.14	2.39	-50.10
CCOC(=O)C1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=N[N-]1	REAL300010802809	1	39	-2.0	-90.94	354.72	2.25	-88.69
COC1=CSC(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300010802810	0	39	-1.0	-53.40	348.69	2.39	-51.01
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCCC(=O)[O-])=C1	REAL300010802811	0	36	-2.0	-92.35	352.23	3.45	-88.90
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802811	1	37	-1.0	-51.43	354.47	3.82	-47.61
O=C([O-])CCCCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010802812	0	46	-1.0	-49.94	360.35	4.99	-44.95
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802813	0	45	-1.0	-51.43	380.19	6.43	-45.00
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802814	0	38	-1.0	-50.86	350.55	5.70	-45.16
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802814	1	37	-2.0	-101.93	348.31	5.41	-96.52
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010802815	0	38	-1.0	-52.23	348.62	5.34	-46.89
COC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300010802816	0	38	-1.0	-51.71	337.90	4.11	-47.60
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCCC(=O)[O-])C(F)=C1	REAL300010802816	1	37	-2.0	-103.26	335.66	3.76	-99.50
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010802817	0	38	-1.0	-52.94	345.40	4.19	-48.75
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802818	0	40	-1.0	-52.36	344.33	4.49	-47.87
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010802819	0	37	-1.0	-53.32	329.49	6.09	-47.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010802820	0	43	-1.0	-51.69	378.78	5.03	-46.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010802821	0	31	-1.0	-48.07	324.98	4.64	-43.43
O=C([O-])CCCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010802821	1	30	-2.0	-90.33	322.74	4.28	-86.05
CN1N=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300010802822	0	34	-1.0	-50.70	311.18	2.23	-48.47
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802823	0	47	-1.0	-53.64	390.94	6.96	-46.68
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010802824	0	51	-1.0	-53.22	418.34	6.44	-46.78
O=C([O-])CCCCCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010802825	0	37	-1.0	-51.54	356.18	5.96	-45.58
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010802826	0	39	-1.0	-54.17	352.58	5.22	-48.95
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802827	0	42	-1.0	-53.05	353.46	4.02	-49.03
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010802828	0	45	-1.0	-52.74	390.33	7.46	-45.28
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802829	0	40	-1.0	-54.95	336.79	6.55	-48.40
COC(=O)C1=CNN=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802830	0	37	-1.0	-57.88	328.73	2.10	-55.78
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802830	1	36	-2.0	-114.35	329.95	1.75	-112.60
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010802831	0	39	-1.0	-55.21	354.79	3.13	-52.08
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010802832	0	35	-1.0	-52.55	335.07	3.40	-49.15
CC1=CC(Cl)=NC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802833	0	36	-1.0	-50.35	327.03	4.06	-46.29
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802834	0	45	-1.0	-52.39	383.25	6.16	-46.23
CCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300010802835	0	44	-1.0	-53.31	365.07	4.79	-48.52
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300010802836	0	38	-1.0	-55.21	337.93	3.92	-51.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010802837	0	40	-1.0	-50.87	362.55	7.32	-43.55
CC(=O)OC1CCN(S(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300010802838	0	42	-1.0	-53.72	359.73	3.72	-50.00
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010802839	0	44	-1.0	-50.62	390.84	8.48	-42.14
COC(=O)C1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C(Cl)S1	REAL300010802840	0	37	-1.0	-51.39	355.56	5.56	-45.83
CCC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300010802841	0	40	-1.0	-49.30	358.96	6.41	-42.89
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802842	0	47	-1.0	-50.62	386.69	5.73	-44.89
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300010802843	0	31	-1.0	-49.20	308.72	4.06	-45.14
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802844	0	48	-1.0	-53.10	397.01	4.87	-48.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010802845	0	40	-1.0	-51.72	347.26	6.84	-44.88
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802846	0	42	-1.0	-51.47	350.56	2.22	-49.25
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010802847	0	41	-1.0	-50.98	342.77	6.77	-44.21
CC1(C)CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802848	0	45	-1.0	-49.28	350.44	4.51	-44.77
O=C([O-])CCCCCNS(=O)(=O)N1CCC(CO)CC1	REAL300010802849	0	43	-1.0	-51.48	349.53	1.05	-50.43
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802850	0	48	-1.0	-55.96	409.33	4.85	-51.11
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010802851	0	49	-1.0	-51.59	401.80	4.92	-46.67
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802852	0	37	-1.0	-50.13	335.00	2.23	-47.90
COC1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802853	0	40	-1.0	-51.00	347.23	1.96	-49.04
CC(C)CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300010802854	0	43	-1.0	-53.07	367.33	4.65	-48.42
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802855	0	43	-1.0	-52.40	363.54	4.24	-48.16
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010802856	0	33	-1.0	-52.99	327.25	2.52	-50.47
O=C([O-])CCCCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010802857	0	44	-1.0	-52.08	362.14	2.31	-49.77
COCC1=CC(CS(=O)(=O)NCCCCCC(=O)[O-])=NO1	REAL300010802858	0	40	-1.0	-56.99	354.26	2.42	-54.57
N#CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])SC=C1	REAL300010802859	0	32	-1.0	-55.78	307.70	3.73	-52.05
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010802860	0	37	-1.0	-58.52	349.38	4.35	-54.17
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010802861	0	31	-2.0	-99.69	310.68	2.00	-97.69
O=C([O-])CCCCCNS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010802861	1	32	-1.0	-51.52	309.66	2.52	-49.00
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802862	0	38	-1.0	-57.59	348.35	2.57	-55.02
CC1=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C(C)S1	REAL300010802863	0	40	-1.0	-48.82	342.10	5.95	-42.87
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC=C1Cl	REAL300010802864	0	33	-1.0	-53.34	305.25	3.47	-49.87
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1Cl	REAL300010802864	1	32	-2.0	-105.82	306.53	2.84	-102.98
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802865	0	38	-1.0	-51.65	341.73	4.99	-46.66
COC1=CC=NC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802866	0	37	-1.0	-52.69	315.98	2.49	-50.20
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010802867	0	36	-1.0	-52.16	335.05	3.66	-48.50
COC1=NC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1Cl	REAL300010802868	0	37	-1.0	-51.48	328.73	1.35	-50.13
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802869	0	43	-1.0	-57.65	381.84	3.59	-54.06
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])S1	REAL300010802869	1	42	-2.0	-92.46	378.54	2.46	-90.00
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802870	0	41	-1.0	-59.47	352.98	2.70	-56.77
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010802871	0	38	-1.0	-51.03	362.78	6.66	-44.37
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010802872	0	39	-1.0	-52.12	353.03	6.80	-45.32
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010802873	0	32	-2.0	-103.54	318.56	3.02	-100.52
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010802873	1	33	-1.0	-52.90	320.81	3.39	-49.51
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1	REAL300010802874	0	45	-1.0	-51.40	369.57	5.13	-46.27
CC(C)N1N=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802875	0	40	-1.0	-50.55	341.62	3.80	-46.75
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CN=C12	REAL300010802876	0	42	-1.0	-52.85	356.16	5.83	-47.02
COC(=O)C1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300010802877	0	42	-1.0	-52.37	366.69	3.91	-48.46
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802878	0	37	-1.0	-55.78	338.17	6.41	-49.37
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010802879	0	41	-1.0	-50.39	348.54	4.69	-45.70
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010802880	0	41	-1.0	-51.43	355.15	5.81	-45.62
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010802881	0	36	-1.0	-52.53	325.36	3.67	-48.86
O=C([O-])CCCCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300010802882	0	39	-1.0	-54.78	335.05	4.92	-49.86
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=NN1C(C)C	REAL300010802883	0	43	-1.0	-53.25	363.18	4.34	-48.91
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010802884	0	41	-1.0	-51.93	359.77	6.74	-45.19
O=C([O-])CCCCCNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010802885	0	36	-1.0	-51.74	327.25	3.57	-48.17
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010802886	0	34	-1.0	-49.53	316.63	5.06	-44.47
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=C1NCCC2	REAL300010802887	0	46	-1.0	-50.81	369.30	5.51	-45.30
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300010802888	0	48	-1.0	-51.60	408.71	8.11	-43.49
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010802889	0	41	-1.0	-52.81	361.43	6.78	-46.03
O=C([O-])CCCCCNS(=O)(=O)C1=CSC=C1Br	REAL300010802890	0	31	-1.0	-49.80	296.90	3.61	-46.19
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010802891	0	38	-1.0	-53.05	343.31	4.69	-48.36
CC1=CC(Br)=NC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802892	0	36	-1.0	-50.33	331.62	4.14	-46.19
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010802893	0	39	-1.0	-54.86	333.78	5.20	-49.66
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802894	0	43	-1.0	-55.89	367.11	6.35	-49.54
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010802895	0	45	-1.0	-52.18	384.12	8.66	-43.52
CC1=CN=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1	REAL300010802896	0	39	-1.0	-52.79	332.41	4.13	-48.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010802897	0	37	-1.0	-52.15	330.35	5.16	-46.99
O=C([O-])CCCCCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010802898	0	33	-1.0	-49.62	316.23	3.34	-46.28
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010802899	0	36	-1.0	-54.32	322.51	4.08	-50.24
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010802899	1	35	-2.0	-107.10	322.94	3.48	-103.62
O=C([O-])CCCCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300010802900	0	37	-1.0	-50.51	331.36	4.26	-46.25
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802901	0	42	-1.0	-59.26	358.17	0.34	-58.92
O=C([O-])CCCCCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300010802902	0	41	-1.0	-49.94	331.32	2.66	-47.28
N#CC1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300010802903	0	40	-1.0	-55.53	338.21	4.02	-51.51
CC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300010802904	0	36	-1.0	-51.04	335.50	3.76	-47.28
O=C([O-])CCCCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010802905	0	32	-2.0	-96.74	325.72	3.57	-93.17
O=C([O-])CCCCCNS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010802905	1	33	-1.0	-49.53	327.96	3.94	-45.59
O=C([O-])CCCCCNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010802906	0	38	-1.0	-58.11	345.79	3.86	-54.25
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010802907	0	38	-1.0	-51.67	338.22	5.79	-45.88
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010802908	0	38	-1.0	-51.21	348.55	6.24	-44.97
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802909	0	43	-1.0	-57.57	380.00	4.11	-53.46
COC1=CC=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802910	0	37	-1.0	-53.70	325.49	1.95	-51.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010802911	0	41	-1.0	-54.62	355.45	6.92	-47.70
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(Cl)=C1Cl	REAL300010802912	0	37	-1.0	-50.85	335.53	5.66	-45.19
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010802913	0	38	-1.0	-49.10	344.15	4.08	-45.02
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(F)F)=C1	REAL300010802914	0	41	-1.0	-50.57	351.53	5.18	-45.39
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C(=O)OC	REAL300010802915	0	47	-1.0	-55.23	403.86	6.17	-49.06
COC(=O)C1CC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2C1	REAL300010802916	0	47	-1.0	-54.10	399.20	7.08	-47.02
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1	REAL300010802917	0	37	-1.0	-52.01	322.58	2.11	-49.90
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802918	0	40	-1.0	-50.22	357.14	2.69	-47.53
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802919	0	40	-1.0	-50.46	366.49	6.62	-43.84
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802919	1	39	-2.0	-99.60	365.42	6.32	-93.28
COC(=O)C1=CC=NC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802920	0	39	-1.0	-53.89	339.54	4.25	-49.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802921	0	40	-1.0	-56.09	348.44	5.77	-50.32
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCCC(=O)[O-]	REAL300010802921	1	39	-2.0	-115.24	350.26	5.79	-109.45
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010802922	0	39	-1.0	-52.50	336.53	4.98	-47.52
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1I	REAL300010802923	0	34	-1.0	-50.47	321.11	5.83	-44.64
CCOC1=CC=CN=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802924	0	40	-1.0	-56.44	342.26	3.92	-52.52
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2C=C1	REAL300010802925	0	45	-1.0	-54.74	396.54	5.55	-49.19
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C12	REAL300010802926	0	42	-1.0	-55.59	349.87	6.19	-49.40
O=C([O-])CCCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010802927	0	29	-2.0	-90.69	301.60	2.60	-88.09
O=C([O-])CCCCCNS(=O)(=O)C1=C(Br)C=NS1	REAL300010802927	1	30	-1.0	-48.35	303.84	2.95	-45.40
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC(C)=N1	REAL300010802928	0	39	-1.0	-51.08	338.31	3.98	-47.10
O=C([O-])CCCCCNS(=O)(=O)N1CCC(F)(F)C1	REAL300010802929	0	36	-1.0	-50.58	316.86	3.02	-47.56
NC1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802930	0	36	-1.0	-50.76	336.28	3.05	-47.71
O=C([O-])CCCCCNC(=O)N1CCC(C(F)(F)F)CC1	REAL300010802931	0	41	-1.0	-50.59	335.26	7.37	-43.22
CC1=CC(Cl)=CN=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300010802932	0	36	-1.0	-50.55	327.71	3.99	-46.56
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010802933	0	36	-1.0	-58.65	316.78	3.98	-54.67
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C(Cl)S1	REAL300010802934	0	34	-1.0	-49.46	325.63	4.98	-44.48
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010802935	0	36	-1.0	-56.07	330.90	3.52	-52.55
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010802936	0	41	-1.0	-53.75	365.55	5.18	-48.57
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)NCCCCCC(=O)[O-])C2	REAL300010802937	0	51	-1.0	-49.33	367.47	9.11	-40.22
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802938	0	47	-1.0	-52.16	376.20	6.35	-45.81
CC1=CC=C(O)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802939	0	38	-1.0	-50.99	330.76	2.93	-48.06
CC1=CC=C([O-])C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300010802939	1	37	-2.0	-95.52	319.80	3.81	-91.71
O=C([O-])CCCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010802940	0	38	-2.0	-94.00	348.36	4.51	-89.49
O=C([O-])CCCCCNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010802940	1	39	-1.0	-54.33	350.96	3.55	-50.78
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010802941	0	31	-1.0	-53.22	282.51	5.89	-47.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010802942	0	25	-1.0	-43.98	254.08	4.17	-39.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010802943	0	25	-1.0	-53.69	243.13	3.97	-49.72
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010802944	0	34	-1.0	-53.12	311.20	5.14	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Br	REAL300010802945	0	25	-1.0	-49.00	260.87	4.34	-44.66
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010802946	0	31	-1.0	-41.71	288.27	4.29	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010802947	0	41	-1.0	-56.32	362.93	1.12	-55.20
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010802948	0	42	-1.0	-55.49	371.33	3.26	-52.23
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010802949	0	36	-1.0	-55.72	330.14	1.55	-54.17
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010802950	0	35	-1.0	-57.41	316.75	2.57	-54.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010802951	0	27	-1.0	-48.92	267.83	4.50	-44.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010802952	0	25	-1.0	-49.05	261.98	4.46	-44.59
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010802953	0	25	-1.0	-39.23	273.60	5.34	-33.89
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010802954	0	29	-1.0	-45.83	282.67	3.52	-42.31
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010802955	0	36	-1.0	-59.28	312.52	2.35	-56.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010802956	0	31	-1.0	-48.25	311.77	5.60	-42.65
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C(=O)OC)=C1	REAL300010802957	0	37	-1.0	-55.97	343.48	4.87	-51.10
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010802958	0	37	-1.0	-66.78	334.86	5.91	-60.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010802959	0	28	-1.0	-53.48	277.63	5.42	-48.06
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010802960	0	28	-1.0	-41.65	272.27	4.74	-36.91
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1NC(C)=O	REAL300010802961	0	36	-1.0	-55.95	316.55	1.88	-54.07
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010802962	0	29	-1.0	-50.39	280.55	3.34	-47.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010802963	0	34	-1.0	-46.11	295.54	3.49	-42.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010802964	0	22	-1.0	-50.34	247.57	3.30	-47.04
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1Cl	REAL300010802965	0	31	-1.0	-41.45	283.57	5.81	-35.64
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010802966	0	29	-1.0	-55.54	277.75	4.08	-51.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010802967	0	43	-1.0	-44.29	330.27	7.20	-37.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010802968	0	41	-1.0	-53.17	336.43	7.35	-45.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010802969	0	35	-1.0	-55.60	331.81	3.13	-52.47
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010802970	0	32	-1.0	-56.58	308.27	1.74	-54.84
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010802971	0	35	-1.0	-56.11	297.10	2.87	-53.24
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010802972	0	22	-1.0	-48.55	250.49	3.54	-45.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010802973	0	35	-1.0	-46.17	306.92	6.96	-39.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010802974	0	28	-1.0	-49.95	278.35	4.82	-45.13
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010802975	0	25	-1.0	-39.23	269.03	5.23	-34.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010802976	0	25	-1.0	-49.20	261.25	4.15	-45.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010802977	0	28	-1.0	-53.41	273.00	4.48	-48.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010802978	0	25	-1.0	-38.78	260.43	4.11	-34.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010802979	0	28	-1.0	-42.33	288.26	5.05	-37.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010802980	0	28	-1.0	-42.51	277.09	4.61	-37.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010802981	0	28	-1.0	-53.49	267.30	4.98	-48.51
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010802982	0	36	-1.0	-48.01	338.24	6.94	-41.07
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010802983	0	25	-1.0	-48.92	249.54	4.03	-44.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010802984	0	31	-1.0	-51.96	284.68	4.13	-47.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010802985	0	28	-1.0	-48.67	294.60	5.16	-43.51
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010802986	0	25	-1.0	-42.53	259.77	4.22	-38.31
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010802987	0	40	-1.0	-53.27	352.75	5.68	-47.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1Br	REAL300010802988	0	25	-1.0	-48.82	264.43	4.58	-44.24
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010802989	0	32	-1.0	-47.51	302.91	3.07	-44.44
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010802990	0	41	-1.0	-55.52	336.92	6.47	-49.05
CC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1Cl	REAL300010802991	0	28	-1.0	-44.36	270.98	5.33	-39.03
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010802992	0	28	-1.0	-39.31	286.89	5.20	-34.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010802993	0	35	-1.0	-55.93	297.28	4.92	-51.01
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(N)=O	REAL300010802994	0	33	-1.0	-46.96	294.56	0.94	-46.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010802995	0	43	-1.0	-48.45	369.85	3.55	-44.90
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010802996	0	32	-1.0	-63.56	290.58	2.37	-61.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010802997	0	31	-1.0	-54.14	306.08	4.71	-49.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010802998	0	24	-1.0	-53.54	251.13	2.29	-51.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300010802999	0	34	-1.0	-67.02	319.60	1.75	-65.27
CC(=O)NC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1F	REAL300010803000	0	32	-1.0	-46.84	294.76	2.57	-44.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010803321	0	32	-1.0	-58.37	298.93	4.09	-54.28
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803322	0	40	-1.0	-54.42	332.16	5.03	-49.39
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803323	0	33	-1.0	-59.88	309.22	6.11	-53.77
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803324	0	33	-1.0	-51.84	286.13	5.22	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010803325	0	30	-1.0	-56.37	287.50	4.15	-52.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010803326	0	25	-1.0	-50.77	262.35	4.65	-46.12
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803327	0	29	-1.0	-52.03	285.36	3.47	-48.56
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN1C	REAL300010803328	0	35	-1.0	-59.40	316.98	4.60	-54.80
CN(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010803329	0	38	-1.0	-50.32	342.84	4.61	-45.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010803330	0	37	-1.0	-54.96	318.17	5.05	-49.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010803331	0	32	-1.0	-55.49	293.29	5.21	-50.28
CSC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803332	0	29	-1.0	-45.82	287.95	5.02	-40.80
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803333	0	35	-1.0	-66.68	317.04	0.14	-66.54
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010803334	0	34	-1.0	-57.22	309.90	4.54	-52.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010803335	0	40	-1.0	-42.12	346.48	3.99	-38.13
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803336	0	43	0.0	-83.99	350.27	4.78	-79.21
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803337	0	28	-1.0	-50.97	262.59	4.64	-46.33
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803338	0	31	-1.0	-49.70	300.25	4.43	-45.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010803339	0	25	-1.0	-48.23	276.34	4.94	-43.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010803340	0	25	-1.0	-52.42	255.56	4.11	-48.31
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300010803341	0	52	-1.0	-53.92	421.29	8.20	-45.72
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803342	0	39	-1.0	-60.66	350.05	4.77	-55.89
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010803343	0	28	-1.0	-54.55	277.93	2.64	-51.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010803344	0	40	-1.0	-49.17	327.18	4.28	-44.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010803345	0	31	-1.0	-52.34	301.16	6.47	-45.87
COC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803346	0	28	-1.0	-51.99	302.64	3.98	-48.01
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803347	0	33	-1.0	-58.25	301.75	1.76	-56.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010803349	0	28	-1.0	-48.84	290.03	5.06	-43.78
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803350	0	36	-1.0	-64.52	312.05	2.58	-61.94
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803351	0	30	-1.0	-49.71	285.35	5.10	-44.61
COC1=C(F)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803352	0	31	-1.0	-47.68	297.44	4.41	-43.27
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803353	0	35	-1.0	-40.73	323.45	2.90	-37.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010803354	0	36	-1.0	-54.37	331.63	5.37	-49.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010803355	0	43	-1.0	-61.60	369.66	6.21	-55.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010803356	0	40	-1.0	-61.42	350.78	5.02	-56.40
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300010803357	0	33	-1.0	-53.61	306.32	3.43	-50.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010803358	0	28	-1.0	-51.98	272.99	4.48	-47.50
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803359	0	28	-1.0	-52.87	277.27	4.83	-48.04
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803360	0	32	-1.0	-50.55	307.96	3.22	-47.33
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803361	0	36	-1.0	-72.75	318.61	3.46	-69.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010803362	0	37	-1.0	-59.87	328.65	3.45	-56.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010803363	0	31	-1.0	-53.32	315.04	1.67	-51.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010803364	0	25	-1.0	-50.00	274.23	4.86	-45.14
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010803365	0	33	-1.0	-46.66	302.24	4.81	-41.85
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803366	0	35	-1.0	-40.73	323.45	2.90	-37.83
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300010803367	0	35	-1.0	-55.67	311.14	4.12	-51.55
COC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=CS1	REAL300010803368	0	31	-1.0	-61.62	283.13	4.54	-57.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803369	0	36	-1.0	-58.69	315.83	3.81	-54.88
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803370	0	39	-1.0	-59.99	343.72	4.84	-55.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010803371	0	39	-1.0	-58.22	342.03	6.98	-51.24
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803372	0	33	-1.0	-62.59	308.38	5.92	-56.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010803373	0	25	-1.0	-49.38	270.37	4.56	-44.82
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2O1	REAL300010803374	0	40	-1.0	-45.42	356.45	6.23	-39.19
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803375	0	37	-1.0	-56.44	317.66	5.56	-50.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010803376	0	25	-1.0	-50.64	261.70	4.38	-46.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300010803377	0	46	-1.0	-47.67	380.43	4.26	-43.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010803378	0	44	-1.0	-61.71	365.59	1.44	-60.27
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300010803379	0	33	-1.0	-54.29	281.13	6.38	-47.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010803380	0	31	-1.0	-55.80	295.56	5.33	-50.47
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803381	0	35	-1.0	-45.36	311.52	6.00	-39.36
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803382	0	28	-1.0	-48.47	267.94	4.66	-43.81
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803383	0	33	-1.0	-48.83	287.45	5.35	-43.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010803384	0	25	-1.0	-51.80	259.14	4.43	-47.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010803385	0	27	-1.0	-57.00	281.36	6.10	-50.90
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010803386	0	34	-1.0	-47.43	324.99	5.56	-41.87
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803387	0	35	-1.0	-45.36	311.52	6.00	-39.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010803388	0	25	-1.0	-41.64	268.89	4.63	-37.01
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010803389	0	36	-1.0	-49.83	330.47	3.40	-46.43
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010803390	0	25	-1.0	-41.63	253.50	3.95	-37.68
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803391	0	31	-1.0	-41.62	292.07	4.24	-37.38
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010803392	0	39	-1.0	-54.55	322.31	5.42	-49.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010803393	0	26	-1.0	-41.59	273.26	4.45	-37.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010803394	0	27	-1.0	-47.91	280.89	4.91	-43.00
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803395	0	32	-1.0	-51.95	286.44	3.84	-48.11
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803396	0	31	-1.0	-50.32	312.72	4.45	-45.87
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010803397	0	33	-1.0	-52.29	299.40	3.06	-49.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010803398	0	29	-1.0	-45.97	278.21	3.19	-42.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010803399	0	28	-1.0	-37.81	277.10	4.62	-33.19
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803400	0	36	-1.0	-48.95	324.09	0.64	-48.31
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2S1	REAL300010803401	0	37	-1.0	-54.08	348.60	6.62	-47.46
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010803402	0	31	-1.0	-65.39	293.72	3.50	-61.89
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010803403	0	30	-1.0	-57.75	290.74	-0.81	-58.56
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010803404	0	31	-1.0	-55.03	288.95	4.14	-50.89
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803405	0	33	-1.0	-60.82	302.61	5.11	-55.71
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010803406	0	29	-1.0	-51.30	269.06	3.02	-48.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010803407	0	31	-1.0	-42.74	294.30	4.54	-38.20
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803408	0	31	-1.0	-44.70	276.99	4.73	-39.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010803409	0	25	-1.0	-49.14	256.31	4.24	-44.90
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(=O)[O-])OCC(=O)N2	REAL300010803410	0	35	-1.0	-57.34	307.12	0.68	-56.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010803411	0	27	-1.0	-48.84	278.65	4.65	-44.19
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010803412	0	27	-1.0	-47.68	274.92	4.53	-43.15
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010803413	0	25	-1.0	-38.91	258.72	4.80	-34.11
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010803414	0	28	-1.0	-49.00	278.51	4.75	-44.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010803415	0	25	-1.0	-53.35	255.25	4.05	-49.30
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300010803416	0	35	-1.0	-44.79	314.83	4.27	-40.52
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010803417	0	25	-1.0	-49.05	259.86	4.48	-44.57
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010803418	0	28	-1.0	-41.51	276.28	4.85	-36.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010803419	0	29	-1.0	-56.80	285.82	0.84	-55.96
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803420	0	34	-1.0	-68.56	300.79	6.26	-62.30
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803421	0	33	-1.0	-60.11	294.62	1.71	-58.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010803422	0	29	-1.0	-56.58	290.38	0.94	-55.64
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010803423	0	29	-1.0	-37.36	289.41	4.73	-32.63
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803424	0	32	-1.0	-45.79	301.17	4.09	-41.70
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010803425	0	28	-1.0	-43.62	293.56	5.05	-38.57
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010803426	0	26	-1.0	-42.42	262.22	4.16	-38.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010803427	0	26	-1.0	-53.92	266.51	4.23	-49.69
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803428	0	31	-1.0	-50.60	280.35	5.05	-45.55
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803429	0	42	-1.0	-46.64	369.51	3.26	-43.38
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010803430	0	31	-1.0	-60.76	288.80	4.84	-55.92
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803431	0	35	-1.0	-65.33	317.16	0.98	-64.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Br	REAL300010803432	0	31	-1.0	-57.84	303.90	1.47	-56.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2CC1	REAL300010803433	0	42	-1.0	-57.42	346.71	5.53	-51.89
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010803434	0	34	-1.0	-47.32	317.69	5.02	-42.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010803435	0	35	-1.0	-50.80	324.77	5.18	-45.62
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803436	0	34	-1.0	-54.30	304.01	6.04	-48.26
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803437	0	34	-1.0	-53.90	299.83	5.75	-48.15
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803438	0	35	-1.0	-61.88	314.17	2.59	-59.29
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803439	0	39	-1.0	-56.42	344.28	4.56	-51.86
CN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010803440	0	38	-1.0	-42.60	332.01	5.08	-37.52
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010803441	0	34	-1.0	-50.64	323.35	5.45	-45.19
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010803442	0	27	-1.0	-39.09	276.23	5.26	-33.83
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803443	0	33	-1.0	-43.78	285.79	4.46	-39.32
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010803444	0	36	-1.0	-55.07	326.41	3.34	-51.73
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1C	REAL300010803445	0	37	-1.0	-53.33	326.86	5.60	-47.73
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803446	0	39	-1.0	-58.34	344.29	1.74	-56.60
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803447	0	36	-1.0	-58.58	311.54	3.18	-55.40
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1Br	REAL300010803448	0	34	-1.0	-50.35	327.10	5.54	-44.81
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803449	0	38	-1.0	-59.80	332.98	5.04	-54.76
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C	REAL300010803450	0	37	-1.0	-46.89	325.44	5.66	-41.23
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803451	0	37	-1.0	-47.51	331.56	5.92	-41.59
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803452	0	31	-1.0	-46.86	299.65	5.62	-41.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010803453	0	28	-1.0	-54.74	278.76	5.60	-49.14
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803454	0	34	-1.0	-56.99	310.84	5.05	-51.94
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010803455	0	35	-1.0	-49.42	306.93	6.95	-42.47
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803456	0	39	-1.0	-55.82	353.72	1.34	-54.48
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010803457	0	28	-1.0	-45.75	271.76	4.80	-40.95
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN1C	REAL300010803458	0	37	-1.0	-57.52	335.97	4.78	-52.74
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010803459	0	31	-1.0	-43.96	303.27	1.49	-42.47
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010803460	0	29	-1.0	-45.64	279.83	4.44	-41.20
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(Br)N1C	REAL300010803461	0	28	-1.0	-56.97	274.03	3.00	-53.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803462	0	38	-1.0	-58.48	324.88	4.39	-54.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010803463	0	28	-2.0	-104.15	273.16	3.22	-100.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010803463	1	29	-1.0	-54.60	275.05	2.51	-52.09
CN(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010803464	0	42	-1.0	-53.47	376.13	3.93	-49.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010803465	0	26	-1.0	-49.80	274.69	4.38	-45.42
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803466	0	36	-1.0	-57.93	326.58	3.00	-54.93
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010803467	0	40	-1.0	-43.03	345.69	6.37	-36.66
CN(C)C(=O)COC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803468	0	39	-1.0	-55.11	377.37	5.63	-49.48
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803469	0	37	-1.0	-57.94	338.24	2.76	-55.18
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803470	0	36	-1.0	-50.37	354.94	4.31	-46.06
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Br)=C1C	REAL300010803471	0	37	-1.0	-49.96	345.11	6.18	-43.78
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010803472	0	24	-1.0	-46.82	265.28	2.76	-44.06
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803473	0	32	-1.0	-53.41	306.37	3.78	-49.63
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803474	0	34	-1.0	-56.91	322.01	6.01	-50.90
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300010803475	0	31	-1.0	-40.99	287.18	5.07	-35.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010803476	0	36	-1.0	-42.99	338.15	6.91	-36.08
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803477	0	34	-1.0	-47.70	309.71	4.99	-42.71
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010803478	0	31	-1.0	-42.46	292.66	5.46	-37.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010803479	0	25	-1.0	-50.13	266.54	3.77	-46.36
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1I	REAL300010803480	0	28	-1.0	-41.41	278.11	5.20	-36.21
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803481	0	38	-1.0	-58.88	344.42	3.91	-54.97
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803482	0	41	-1.0	-58.53	366.28	4.84	-53.69
COC(=O)C1(CS(=O)(=O)N(C)CC(=O)[O-])CCCCC1	REAL300010803483	0	40	-1.0	-62.75	320.81	5.05	-57.70
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C	REAL300010803484	0	33	-1.0	-49.80	300.22	2.92	-46.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010803485	0	29	-1.0	-52.07	280.46	3.25	-48.82
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803486	0	34	-1.0	-53.69	327.95	5.64	-48.05
CN(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010803487	0	41	-1.0	-50.74	364.33	5.39	-45.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010803488	0	27	-1.0	-47.65	276.43	3.09	-44.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010803489	0	26	-1.0	-55.73	264.29	2.96	-52.77
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010803490	0	28	-1.0	-41.40	268.63	2.00	-39.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010803491	0	27	-1.0	-57.15	276.95	6.01	-51.14
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1C	REAL300010803492	0	34	-1.0	-53.45	305.00	4.67	-48.78
CC1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2N=C1Cl	REAL300010803493	0	33	-1.0	-47.04	309.24	4.93	-42.11
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(C)C)=C1	REAL300010803494	0	52	-1.0	-44.65	390.54	9.34	-35.31
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010803495	0	30	-1.0	-48.24	281.95	5.07	-43.17
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803496	0	37	-1.0	-58.87	334.37	5.91	-52.96
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803497	0	32	-1.0	-51.66	302.79	3.85	-47.81
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(=O)[O-])CCC2=C1	REAL300010803498	0	37	-1.0	-46.07	311.46	5.12	-40.95
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010803499	0	28	-1.0	-46.22	282.36	5.56	-40.66
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010803500	0	39	-1.0	-61.60	350.74	1.88	-59.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010803500	1	38	-2.0	-96.25	347.49	1.97	-94.28
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010803501	0	28	-1.0	-39.24	282.01	4.91	-34.33
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010803502	0	34	-1.0	-50.96	315.69	1.75	-49.21
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803503	0	34	-1.0	-51.66	309.47	5.04	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010803504	0	40	-1.0	-62.20	356.18	4.10	-58.10
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803505	0	38	-1.0	-60.56	330.56	3.90	-56.66
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(=O)[O-])C(CC)=C1	REAL300010803506	0	43	-1.0	-42.08	328.33	7.72	-34.36
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300010803507	0	44	-1.0	-51.97	375.48	4.36	-47.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010803508	0	27	-1.0	-47.77	280.93	3.46	-44.31
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803509	0	33	-1.0	-47.29	301.13	3.31	-43.98
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010803510	0	33	-1.0	-51.86	305.12	2.14	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010803511	0	30	-1.0	-54.06	287.01	-1.50	-55.56
CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010803512	0	36	-1.0	-65.03	307.87	0.66	-64.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010803513	0	28	-1.0	-53.74	265.92	0.99	-52.75
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803514	0	38	-1.0	-59.98	330.17	4.70	-55.28
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010803515	0	34	-1.0	-54.91	301.01	6.41	-48.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010803516	0	29	-1.0	-51.81	272.61	3.80	-48.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010803517	0	29	-1.0	-51.81	282.94	4.25	-47.56
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803518	0	34	-1.0	-49.75	315.17	5.05	-44.70
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803519	0	38	-1.0	-44.14	322.01	5.43	-38.71
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010803520	0	28	-1.0	-40.03	289.77	5.29	-34.74
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010803521	0	28	-1.0	-42.05	288.41	5.30	-36.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010803522	0	28	-1.0	-43.40	272.40	2.66	-40.74
CCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803523	0	33	-1.0	-50.60	295.21	5.38	-45.22
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803524	0	41	-1.0	-57.80	332.61	5.78	-52.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010803525	0	32	-1.0	-55.27	309.40	5.96	-49.31
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300010803526	0	34	-1.0	-54.53	310.82	5.07	-49.46
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803527	0	34	-1.0	-53.29	328.06	5.19	-48.10
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=N1	REAL300010803528	0	34	-1.0	-44.58	318.99	5.03	-39.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010803529	0	31	-1.0	-56.31	303.88	4.60	-51.71
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803530	0	34	-1.0	-57.05	309.27	4.76	-52.29
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803531	0	31	-1.0	-42.78	287.42	5.40	-37.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010803532	0	40	-1.0	-49.87	348.60	1.38	-48.49
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010803533	0	32	-1.0	-60.83	299.08	1.44	-59.39
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])SC(Br)=C1	REAL300010803534	0	25	-1.0	-50.73	262.13	4.07	-46.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010803535	0	34	-1.0	-48.87	289.10	3.93	-44.94
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803536	0	35	-1.0	-53.73	301.96	2.39	-51.34
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803537	0	29	-1.0	-51.80	283.47	4.13	-47.67
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(=O)[O-])C(=O)NCCC2	REAL300010803538	0	40	-1.0	-64.40	332.54	2.54	-61.86
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CC(=O)[O-])S2)C1	REAL300010803539	0	36	-1.0	-57.88	325.18	4.10	-53.78
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010803540	0	32	-1.0	-54.65	306.79	6.13	-48.52
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010803541	0	28	-1.0	-42.34	278.07	4.86	-37.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010803542	0	29	-1.0	-52.21	284.96	0.89	-51.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010803543	0	25	-1.0	-49.15	272.60	4.68	-44.47
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803544	0	50	-1.0	-53.17	414.90	8.48	-44.69
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803545	0	40	-1.0	-48.92	342.60	5.90	-43.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010803546	0	25	-1.0	-47.24	275.06	4.93	-42.31
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803547	0	35	-1.0	-56.20	320.95	5.80	-50.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010803548	0	25	-1.0	-42.53	259.77	4.22	-38.31
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300010803549	0	31	-1.0	-41.62	292.07	4.24	-37.38
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010803550	0	39	-1.0	-45.81	340.95	6.63	-39.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010803551	0	39	-1.0	-48.44	350.21	6.90	-41.54
CN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010803552	0	24	-1.0	-46.02	242.46	2.72	-43.30
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C2)=N1	REAL300010803553	0	37	-1.0	-55.52	319.05	3.08	-52.44
COC(CS(=O)(=O)N(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300010803554	0	35	-1.0	-56.07	315.76	4.70	-51.37
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010803555	0	37	-1.0	-46.51	316.74	4.99	-41.52
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300010803556	0	33	-1.0	-44.72	314.65	2.45	-42.27
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300010803557	0	37	-1.0	-54.84	319.28	6.09	-48.75
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803558	0	36	-1.0	-45.07	318.47	2.75	-42.32
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010803559	0	31	-1.0	-56.28	293.55	4.16	-52.12
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(Cl)C=C21	REAL300010803560	0	36	-1.0	-62.74	320.23	4.96	-57.78
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803561	0	38	-1.0	-49.42	322.78	5.21	-44.21
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010803562	0	44	-1.0	-43.98	364.22	6.60	-37.38
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010803563	0	28	-1.0	-63.79	283.44	3.38	-60.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010803564	0	33	-1.0	-52.78	289.35	5.54	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010803565	0	38	-1.0	-43.98	330.12	5.75	-38.23
CCC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=CN1CC1CC1	REAL300010803566	0	38	-1.0	-58.25	328.08	5.37	-52.88
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803567	0	31	-1.0	-62.89	301.48	5.88	-57.01
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C1	REAL300010803568	0	36	-1.0	-59.02	318.97	4.15	-54.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010803569	0	28	-1.0	-47.71	276.93	2.15	-45.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010803570	0	36	-1.0	-55.55	334.60	7.68	-47.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803571	0	28	-1.0	-48.45	267.94	4.64	-43.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010803572	0	35	-1.0	-49.33	282.20	6.31	-43.02
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010803573	0	45	-1.0	-53.15	387.02	8.37	-44.78
CC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803574	0	31	-1.0	-44.04	293.12	5.46	-38.58
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803575	0	32	-1.0	-58.65	302.58	4.24	-54.41
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010803576	0	24	-1.0	-53.00	250.81	2.10	-50.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010803577	0	31	-1.0	-64.97	286.30	1.98	-62.99
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010803578	0	32	-1.0	-44.04	308.29	2.84	-41.20
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C)C=C1OC	REAL300010803579	0	38	-1.0	-52.83	312.12	4.77	-48.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010803580	0	31	-1.0	-50.42	305.78	5.42	-45.00
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803581	0	33	-1.0	-58.47	303.75	4.55	-53.92
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803582	0	28	-1.0	-48.59	277.07	5.05	-43.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(Br)=C1	REAL300010803583	0	25	-1.0	-48.55	276.56	4.82	-43.73
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010803584	0	32	-1.0	-49.55	295.63	3.43	-46.12
CC1=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C2NC1=O	REAL300010803585	0	34	-1.0	-44.26	303.76	3.28	-40.98
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010803586	0	34	-1.0	-51.12	314.63	4.92	-46.20
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010803587	0	30	-1.0	-50.58	278.47	4.66	-45.92
CN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010803588	0	31	-1.0	-55.81	289.96	4.91	-50.90
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010803589	0	25	-1.0	-51.11	250.11	1.47	-49.64
CN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010803590	0	34	-1.0	-53.09	328.73	5.90	-47.19
CN(CC(=O)[O-])S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010803591	0	25	-1.0	-50.14	255.74	1.91	-48.23
COC(=O)C1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1F	REAL300010803592	0	35	-1.0	-54.19	315.66	4.16	-50.03
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803593	0	35	-1.0	-66.59	309.57	4.55	-62.04
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010803594	0	41	-1.0	-44.28	342.72	5.80	-38.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010803595	0	37	-1.0	-41.48	310.99	5.81	-35.67
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010803596	0	44	-1.0	-57.23	359.55	8.12	-49.11
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803597	0	30	-1.0	-58.15	293.82	3.61	-54.54
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803598	0	28	-1.0	-52.08	275.59	1.45	-50.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010803599	0	30	-1.0	-54.04	289.46	4.44	-49.60
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010803600	0	27	-1.0	-50.25	273.72	3.45	-46.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010803601	0	35	-1.0	-58.02	320.39	4.40	-53.62
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010803602	0	24	-1.0	-44.76	259.48	1.88	-42.88
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010803603	0	27	-1.0	-50.83	287.47	3.67	-47.16
CN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010803604	0	36	-1.0	-45.09	316.84	0.09	-45.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010803605	0	26	-1.0	-49.29	279.13	2.68	-46.61
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803606	0	34	-1.0	-59.06	312.51	4.98	-54.08
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010803607	0	28	-1.0	-46.83	280.47	4.70	-42.13
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010803608	0	28	-1.0	-42.63	263.27	1.80	-40.83
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010803609	0	22	-1.0	-39.74	234.34	2.88	-36.86
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010803610	0	28	-1.0	-46.83	261.38	2.32	-44.51
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803611	0	43	-1.0	-56.92	369.10	5.36	-51.56
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010803612	0	25	-1.0	-55.57	252.00	1.55	-54.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2	REAL300010803613	0	36	-1.0	-54.66	315.38	3.86	-50.80
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010803614	0	39	-1.0	-54.43	339.87	4.78	-49.65
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803615	0	28	-1.0	-48.43	277.07	5.05	-43.38
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010803616	0	47	-1.0	-45.36	385.71	7.39	-37.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010803617	0	36	-1.0	-57.21	315.24	3.96	-53.25
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300010803618	0	47	-1.0	-44.26	376.76	7.27	-36.99
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1CC	REAL300010803619	0	41	-1.0	-45.31	347.29	6.07	-39.24
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803620	0	36	-1.0	-47.77	338.13	3.71	-44.06
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803621	0	39	-1.0	-64.87	328.50	3.32	-61.55
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010803622	0	28	-1.0	-42.31	286.51	5.24	-37.07
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010803623	0	28	-1.0	-42.63	277.39	4.84	-37.79
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010803624	0	35	-1.0	-62.75	316.05	5.52	-57.23
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300010803625	0	31	-1.0	-40.59	292.07	5.43	-35.16
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C1F	REAL300010803626	0	29	-1.0	-44.92	279.24	3.71	-41.21
CCOC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])N(C)N=C1	REAL300010803627	0	34	-1.0	-56.63	297.90	3.27	-53.36
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010803628	0	37	-1.0	-44.69	338.45	5.19	-39.50
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803629	0	38	-1.0	-54.55	337.05	4.51	-50.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803630	0	41	-1.0	-53.42	348.11	6.36	-47.06
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300010803631	0	45	-1.0	-59.74	358.20	5.96	-53.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010803632	0	39	-1.0	-44.41	328.29	3.63	-40.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010803633	0	40	-1.0	-55.43	343.51	6.20	-49.23
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010803634	0	39	-1.0	-71.34	334.79	5.51	-65.83
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010803635	0	40	-1.0	-52.61	363.43	7.42	-45.19
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010803636	0	37	-1.0	-45.19	306.63	5.65	-39.54
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803637	0	38	-1.0	-61.02	332.75	5.02	-56.00
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803638	0	35	-1.0	-66.30	307.94	4.57	-61.73
CN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010803639	0	36	-1.0	-57.18	306.72	1.65	-55.53
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010803640	0	31	-1.0	-52.66	300.81	4.48	-48.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010803641	0	31	-1.0	-42.53	283.46	0.79	-41.74
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010803642	0	50	-1.0	-43.90	407.21	8.16	-35.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803643	0	41	-1.0	-54.87	328.61	5.18	-49.69
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803644	0	35	-1.0	-56.93	301.49	5.03	-51.90
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300010803645	0	48	-1.0	-46.94	398.20	6.02	-40.92
CC1=C(Br)C(S(=O)(=O)N(C)CC(=O)[O-])=C(C)S1	REAL300010803646	0	28	-1.0	-40.30	271.32	4.76	-35.54
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C(Br)=C1	REAL300010803647	0	28	-1.0	-53.84	278.26	5.54	-48.30
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803648	0	37	-1.0	-49.29	335.57	6.08	-43.21
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1Br	REAL300010803649	0	31	-1.0	-55.20	294.06	4.49	-50.71
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010803650	0	42	-1.0	-65.06	342.25	5.61	-59.45
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010803651	0	31	-1.0	-47.46	284.97	4.16	-43.30
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C21	REAL300010803652	0	39	-1.0	-54.53	331.10	5.06	-49.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010803653	0	25	-1.0	-48.27	257.28	1.65	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010803654	0	29	-1.0	-56.55	283.87	3.98	-52.57
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010803655	0	28	-1.0	-64.40	278.88	3.28	-61.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010803656	0	34	-1.0	-61.39	302.29	0.80	-60.59
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010803657	0	26	-1.0	-37.63	273.28	4.45	-33.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010803658	0	41	-1.0	-58.65	378.93	4.51	-54.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010803658	1	40	-2.0	-91.17	375.95	2.93	-88.24
COC1=CC=C(F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1OC	REAL300010803659	0	33	-1.0	-48.94	291.38	3.87	-45.07
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803660	0	28	-1.0	-49.87	292.60	2.96	-46.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010803661	0	22	-1.0	-50.32	254.12	3.77	-46.55
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010803662	0	38	-1.0	-46.19	314.69	4.25	-41.94
CN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010803663	0	29	-1.0	-57.97	283.44	5.43	-52.54
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010803664	0	29	-1.0	-60.22	283.91	3.99	-56.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010803665	0	25	-2.0	-102.79	267.16	3.28	-99.51
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300010803666	0	31	-1.0	-42.70	278.68	5.17	-37.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010803667	0	31	-1.0	-52.11	302.78	4.68	-47.43
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803668	0	43	-1.0	-55.12	339.33	7.04	-48.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010803669	0	31	-1.0	-44.70	303.96	5.42	-39.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010803670	0	36	-1.0	-57.80	326.55	6.48	-51.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010803671	0	38	-1.0	-53.36	322.55	1.96	-51.40
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010803672	0	34	-1.0	-55.93	297.48	4.79	-51.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010803673	0	29	-1.0	-47.50	290.42	4.92	-42.58
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C=C1	REAL300010803674	0	37	-1.0	-55.17	334.64	6.49	-48.68
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010803675	0	34	-1.0	-48.54	321.77	6.14	-42.40
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300010803676	0	30	-1.0	-48.26	284.89	3.39	-44.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010803677	0	28	-1.0	-49.05	279.71	4.62	-44.43
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010803678	0	25	-1.0	-40.48	250.22	3.56	-36.92
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010803679	0	25	-1.0	-42.28	264.66	3.66	-38.62
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803680	0	35	-1.0	-57.41	316.75	2.57	-54.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010803681	0	28	-1.0	-37.89	284.66	4.98	-32.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010803682	0	35	-1.0	-44.24	313.04	5.24	-39.00
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010803683	0	31	-1.0	-42.85	289.76	4.44	-38.41
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010803684	0	30	-1.0	-53.07	286.95	4.14	-48.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803685	0	35	-1.0	-51.67	330.77	4.32	-47.35
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010803686	0	25	-1.0	-51.57	260.90	4.45	-47.12
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010803687	0	25	-1.0	-57.95	257.55	3.83	-54.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010803688	0	28	-1.0	-54.76	268.38	5.14	-49.62
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803689	0	31	-1.0	-51.60	300.76	3.90	-47.70
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010803690	0	27	-1.0	-49.46	288.35	3.81	-45.65
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803691	0	34	-1.0	-61.98	305.78	1.06	-60.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010803692	0	28	-1.0	-58.84	287.90	0.07	-58.77
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803693	0	34	-1.0	-61.98	305.78	1.06	-60.92
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803694	0	37	-1.0	-68.42	326.54	7.76	-60.66
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010803695	0	39	-1.0	-53.57	326.44	2.49	-51.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010803696	0	32	-1.0	-41.34	322.05	3.47	-37.87
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010803697	0	40	-1.0	-41.89	327.71	6.18	-35.71
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010803698	0	36	-1.0	-51.54	297.21	5.59	-45.95
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010803699	0	33	-1.0	-39.61	287.81	3.63	-35.98
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803700	0	34	-1.0	-58.01	316.78	5.76	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010803701	0	28	-1.0	-53.33	293.25	5.58	-47.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010803702	0	35	-1.0	-51.79	314.99	4.72	-47.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010803703	0	38	-1.0	-51.89	320.36	4.53	-47.36
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010803704	0	28	-1.0	-46.06	284.86	5.67	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010803705	0	36	-1.0	-45.05	321.42	6.40	-38.65
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803706	0	37	-1.0	-61.41	322.77	6.32	-55.09
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1Br	REAL300010803707	0	31	-1.0	-50.64	291.67	5.32	-45.32
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010803708	0	30	-1.0	-52.87	293.49	5.01	-47.86
CN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010803709	0	31	-1.0	-53.76	309.65	4.81	-48.95
CN(CC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010803710	0	37	-1.0	-57.36	318.04	1.32	-56.04
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010803711	0	29	-1.0	-45.34	283.53	5.26	-40.08
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)CC(=O)[O-])=C2	REAL300010803712	0	31	-1.0	-51.64	319.06	4.80	-46.84
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010803713	0	25	-1.0	-41.85	262.23	4.45	-37.40
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010803714	0	27	-1.0	-52.85	269.86	2.70	-50.15
CN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010803715	0	30	-1.0	-61.13	287.57	4.65	-56.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010803716	0	30	-1.0	-49.49	272.59	4.02	-45.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010803717	0	27	-1.0	-52.85	269.86	2.70	-50.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010803718	0	28	-1.0	-53.33	293.25	5.58	-47.75
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803719	0	29	-1.0	-44.42	284.24	4.52	-39.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010803720	0	39	-1.0	-43.31	337.36	5.06	-38.25
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CC(=O)[O-])O1	REAL300010803721	0	31	-1.0	-61.06	297.58	-0.12	-61.18
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010803722	0	35	-1.0	-61.99	313.11	4.85	-57.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010803723	0	31	-1.0	-56.73	305.40	0.98	-55.75
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010803724	0	29	-1.0	-52.47	287.16	5.38	-47.09
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010803725	0	29	-1.0	-52.33	287.16	5.39	-46.94
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010803726	0	34	-1.0	-58.36	310.01	2.55	-55.81
CN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010803727	0	42	-1.0	-57.86	310.94	6.48	-51.38
CCOC(=O)C1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C2C=CC=CN12	REAL300010803728	0	37	-1.0	-60.92	336.53	5.27	-55.65
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010803729	0	29	-1.0	-46.37	279.21	2.55	-43.82
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C)CC(=O)[O-])=C2C=C1	REAL300010803730	0	34	-1.0	-58.21	315.38	5.46	-52.75
CN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010803731	0	35	-1.0	-44.14	313.15	6.39	-37.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010803732	0	47	-1.0	-46.15	362.31	7.71	-38.44
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803733	0	28	-1.0	-49.87	288.53	2.86	-47.01
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803734	0	29	-1.0	-44.85	282.62	4.79	-40.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010803735	0	29	-1.0	-58.78	285.01	4.52	-54.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010803736	0	29	-1.0	-43.32	278.25	3.20	-40.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010803737	0	28	-1.0	-48.87	258.98	4.65	-44.22
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F	REAL300010803738	0	29	-1.0	-42.33	289.17	5.05	-37.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010803739	0	34	-1.0	-51.92	313.45	4.04	-47.88
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010803740	0	22	-1.0	-47.09	259.03	3.68	-43.41
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803741	0	38	-1.0	-55.02	324.26	5.85	-49.17
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010803742	0	42	-1.0	-45.52	351.08	5.46	-40.06
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010803743	0	28	-1.0	-48.50	290.20	5.00	-43.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010803744	0	30	-1.0	-54.31	287.25	4.22	-50.09
CN(CC(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300010803745	0	22	-1.0	-53.12	252.61	3.67	-49.45
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010803746	0	36	-1.0	-56.14	324.39	6.49	-49.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010803747	0	30	-1.0	-56.80	288.84	2.17	-54.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010803748	0	22	-1.0	-47.19	269.72	4.25	-42.94
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010803749	0	26	-1.0	-56.28	271.54	2.53	-53.75
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300010803750	0	29	-1.0	-61.90	267.21	2.70	-59.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010803751	0	31	-1.0	-52.58	296.60	6.36	-46.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300010803752	0	34	-1.0	-39.78	325.21	5.94	-33.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010803753	0	35	-1.0	-52.61	325.49	7.48	-45.13
COC(=O)C1=C(S(=O)(=O)N(C)CC(=O)[O-])C=C(Cl)S1	REAL300010803754	0	28	-1.0	-59.58	292.40	4.54	-55.04
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010803755	0	31	-1.0	-41.72	291.79	5.43	-36.29
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803756	0	38	-1.0	-44.29	313.64	4.57	-39.72
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803757	0	39	-1.0	-58.54	333.03	3.96	-54.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010803758	0	31	-1.0	-54.08	286.37	6.15	-47.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010803759	0	31	-1.0	-52.64	298.80	3.40	-49.24
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803760	0	39	-1.0	-64.61	346.33	3.92	-60.69
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010803761	0	40	-1.0	-53.57	336.45	3.93	-49.64
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010803762	0	24	-1.0	-51.39	261.91	1.54	-49.85
CN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010803763	0	35	-1.0	-47.92	295.69	1.39	-46.53
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010803764	0	28	-1.0	-63.79	283.44	3.38	-60.41
CN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010803765	0	23	-1.0	-52.01	246.98	1.39	-50.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010803766	0	22	-1.0	-50.32	254.12	3.77	-46.55
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803767	0	29	-1.0	-55.54	277.75	4.08	-51.46
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803768	0	34	-1.0	-58.92	317.16	2.57	-56.35
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300010803768	1	33	-2.0	-96.41	313.87	1.44	-94.97
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010803769	0	29	-1.0	-41.73	296.23	5.69	-36.04
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010803770	0	30	-1.0	-54.34	290.37	5.75	-48.59
CN(CC(=O)[O-])S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010803771	0	24	-1.0	-45.13	253.91	2.39	-42.74
COC(=O)C1=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300010803772	0	33	-1.0	-49.97	300.75	2.94	-47.03
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010803773	0	32	-1.0	-43.70	292.62	5.75	-37.95
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300010803774	0	39	-1.0	-52.42	342.77	7.14	-45.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010803775	0	32	-1.0	-44.79	294.29	5.79	-39.00
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010803776	0	22	-1.0	-39.74	234.34	2.88	-36.86
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010803777	0	29	-1.0	-56.49	279.30	3.87	-52.62
CC1=CC(Br)=NC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803778	0	27	-1.0	-49.06	258.09	2.71	-46.35
CC1=CC=C(I)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803779	0	28	-1.0	-53.72	269.05	5.14	-48.58
COC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803780	0	34	-1.0	-61.01	300.90	5.39	-55.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010803781	0	36	-1.0	-54.31	318.19	7.70	-46.61
CN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010803782	0	24	-1.0	-40.48	249.13	2.36	-38.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1Cl	REAL300010803783	0	25	-1.0	-48.81	268.48	4.95	-43.86
CN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300010803784	0	28	-1.0	-51.30	265.37	3.29	-48.01
CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010803785	0	33	-1.0	-44.77	290.47	-0.67	-45.44
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300010803786	0	27	-1.0	-54.00	269.55	2.81	-51.19
CN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010803787	0	24	-1.0	-40.16	258.52	2.87	-37.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010803788	0	34	-1.0	-54.96	312.87	3.13	-51.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010803789	0	32	-1.0	-62.46	289.75	5.95	-56.51
COC1=CC=C(I)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803790	0	29	-1.0	-51.58	274.02	3.47	-48.11
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010803791	0	28	-1.0	-51.51	274.61	4.89	-46.62
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010803792	0	29	-1.0	-51.24	280.21	3.27	-47.97
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300010803793	0	48	-1.0	-54.46	406.05	8.76	-45.70
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(F)F)=C1	REAL300010803794	0	32	-1.0	-55.69	286.94	4.13	-51.56
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010803795	0	38	-1.0	-49.49	336.68	5.18	-44.31
COC(=O)C1CC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C1	REAL300010803796	0	38	-1.0	-56.58	333.26	6.11	-50.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803797	0	31	-1.0	-51.58	293.40	1.83	-49.75
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803798	0	31	-1.0	-58.37	301.05	5.83	-52.54
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300010803799	0	31	-1.0	-52.86	278.70	4.72	-48.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1I	REAL300010803800	0	25	-1.0	-53.11	247.37	4.39	-48.72
COC1=CC=C(I)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803801	0	29	-1.0	-51.58	274.02	3.47	-48.11
COC(=O)C1=NC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2C=C1	REAL300010803802	0	36	-1.0	-53.11	330.59	4.58	-48.53
CN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=NS1	REAL300010803803	0	21	-1.0	-47.81	236.56	1.91	-45.90
CN(CC(=O)[O-])S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010803804	0	27	-1.0	-53.64	270.94	2.05	-51.59
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010803805	0	32	-1.0	-56.75	301.55	4.36	-52.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300010803806	0	38	-1.0	-59.37	316.52	5.63	-53.74
CN(CC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010803807	0	29	-2.0	-114.18	280.53	3.51	-110.67
CN(CC(=O)[O-])S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010803807	1	30	-1.0	-56.57	283.24	2.67	-53.90
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CN=C1Cl	REAL300010803808	0	29	-1.0	-45.41	250.34	1.34	-44.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010803809	0	30	-1.0	-49.81	271.33	3.66	-46.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300010803810	0	30	-1.0	-48.31	257.29	3.28	-45.03
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300010803811	0	42	-1.0	-48.94	300.55	5.04	-43.90
COC(=O)CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010803812	0	39	-1.0	-50.86	312.21	3.89	-46.97
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803813	0	36	-1.0	-62.71	296.13	4.45	-58.26
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803814	0	39	-1.0	-51.89	328.84	4.83	-47.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010803815	0	30	-1.0	-44.43	270.22	3.66	-40.77
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803816	0	36	-1.0	-59.80	305.55	3.78	-56.02
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803817	0	42	-1.0	-52.44	328.42	5.55	-46.89
CC(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803818	0	39	-1.0	-52.62	312.07	5.24	-47.38
CCC(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803819	0	42	-1.0	-52.34	330.89	5.82	-46.52
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803820	0	41	-1.0	-54.30	348.54	1.19	-53.11
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010803821	0	34	-1.0	-52.79	288.59	0.15	-52.64
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803822	0	40	-1.0	-54.84	334.41	2.25	-52.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010803823	0	32	-1.0	-40.20	283.42	3.88	-36.32
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010803824	0	30	-1.0	-56.57	277.38	4.71	-51.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300010803825	0	27	-1.0	-46.48	260.79	2.90	-43.58
CCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803826	0	39	-1.0	-50.30	314.46	5.25	-45.05
COC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803827	0	34	-1.0	-54.70	276.20	2.95	-51.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010803828	0	30	-1.0	-43.46	276.50	3.82	-39.64
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010803829	0	34	-1.0	-51.30	299.93	2.98	-48.32
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803830	0	41	-1.0	-70.82	332.02	1.86	-68.96
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010803831	0	30	-1.0	-40.13	266.90	3.16	-36.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010803832	0	30	-1.0	-44.22	283.53	4.07	-40.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1Cl	REAL300010803833	0	30	-1.0	-48.57	255.03	3.19	-45.38
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803834	0	42	-1.0	-54.27	359.56	4.35	-49.92
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803835	0	42	-1.0	-60.46	350.16	5.07	-55.39
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010803836	0	30	-1.0	-56.42	261.32	3.59	-52.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010803837	0	29	-1.0	-42.27	261.98	1.69	-40.58
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010803838	0	30	-1.0	-44.16	271.26	3.56	-40.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010803839	0	33	-1.0	-49.42	294.51	4.83	-44.59
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010803840	0	33	-1.0	-46.68	289.52	4.21	-42.47
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1NC(C)=O	REAL300010803841	0	41	-1.0	-53.61	334.49	1.21	-52.40
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010803842	0	34	-1.0	-46.59	298.19	3.03	-43.56
CC1=C(C)C(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1C	REAL300010803843	0	45	-1.0	-59.06	332.84	6.61	-52.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010803844	0	39	-1.0	-47.52	311.44	2.87	-44.65
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010803845	0	35	-1.0	-60.16	295.16	4.44	-55.72
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)S1	REAL300010803846	0	27	-1.0	-46.58	265.42	3.00	-43.58
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010803847	0	36	-1.0	-53.84	314.50	5.88	-47.96
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803848	0	34	-1.0	-53.95	297.32	3.57	-50.38
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803849	0	48	-1.0	-47.59	343.66	6.25	-41.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010803850	0	46	-1.0	-49.50	351.28	6.89	-42.61
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010803851	0	33	-1.0	-47.77	290.58	4.31	-43.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010803852	0	40	-1.0	-54.50	314.76	5.85	-48.65
COC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803853	0	38	-1.0	-59.14	305.49	2.24	-56.90
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300010803854	0	38	-1.0	-50.79	306.04	2.19	-48.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010803855	0	40	-1.0	-54.59	349.45	2.83	-51.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010803856	0	37	-1.0	-51.35	295.59	4.94	-46.41
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010803857	0	37	-1.0	-52.51	326.41	1.45	-51.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010803858	0	38	-1.0	-52.28	308.07	5.51	-46.77
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010803859	0	30	-1.0	-49.77	260.75	3.11	-46.66
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803860	0	40	-1.0	-52.64	311.06	2.25	-50.39
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010803861	0	27	-1.0	-44.71	266.45	2.91	-41.80
CC(C)CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803862	0	45	-1.0	-50.37	353.53	6.54	-43.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010803863	0	36	-1.0	-57.93	290.70	5.38	-52.55
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010803864	0	40	-1.0	-52.02	324.21	6.43	-45.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010803865	0	33	-1.0	-42.33	293.86	4.19	-38.14
CC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803866	0	33	-1.0	-54.38	261.62	3.42	-50.96
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010803867	0	30	-1.0	-50.32	294.86	5.22	-45.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803868	0	45	-1.0	-50.82	340.47	5.82	-45.00
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010803869	0	33	-1.0	-48.96	284.09	4.04	-44.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010803870	0	30	-1.0	-41.34	268.41	3.27	-38.07
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010803871	0	33	-1.0	-49.63	275.91	3.71	-45.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010803872	0	30	-1.0	-44.34	281.33	3.71	-40.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010803873	0	33	-1.0	-49.04	293.41	4.06	-44.98
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010803874	0	30	-1.0	-43.45	281.53	3.71	-39.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010803875	0	30	-1.0	-44.26	267.21	3.16	-41.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010803876	0	31	-1.0	-45.57	268.28	1.88	-43.69
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010803877	0	33	-1.0	-46.22	276.77	3.73	-42.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010803878	0	33	-1.0	-40.18	294.37	4.09	-36.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010803879	0	35	-1.0	-60.37	295.73	4.13	-56.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010803880	0	33	-1.0	-49.19	284.17	4.37	-44.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010803881	0	41	-1.0	-46.21	353.20	6.20	-40.01
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010803882	0	30	-1.0	-45.35	270.58	3.54	-41.81
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010803883	0	30	-1.0	-42.78	263.83	3.35	-39.43
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803884	0	36	-1.0	-46.84	304.44	3.62	-43.22
CC1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803885	0	33	-1.0	-50.38	275.75	3.72	-46.66
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010803886	0	34	-1.0	-54.02	285.68	2.42	-51.60
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010803887	0	33	-1.0	-51.49	275.34	3.64	-47.85
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010803888	0	30	-1.0	-52.59	267.14	3.82	-48.77
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010803889	0	30	-1.0	-39.56	275.62	3.60	-35.96
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)C=C1	REAL300010803890	0	45	-1.0	-47.58	366.96	5.02	-42.56
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010803891	0	37	-1.0	-47.89	317.88	2.33	-45.56
CN(C1CCCCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803892	0	41	-1.0	-50.24	309.96	3.95	-46.29
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010803893	0	46	-1.0	-54.48	352.74	5.81	-48.67
N#CC1=CC=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803894	0	34	-1.0	-55.22	298.96	4.35	-50.87
CC1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010803895	0	33	-1.0	-56.86	296.06	5.31	-51.55
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010803896	0	33	-1.0	-46.10	310.02	4.95	-41.15
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010803897	0	40	-1.0	-57.11	318.97	4.74	-52.37
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(N)=O	REAL300010803898	0	37	-1.0	-43.88	300.30	0.40	-43.48
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(N)=O	REAL300010803899	0	38	-1.0	-48.69	310.42	0.31	-48.38
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803900	0	35	-1.0	-46.20	283.45	4.01	-42.19
CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010803901	0	37	-1.0	-52.34	311.72	2.00	-50.34
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803902	0	35	-1.0	-50.45	288.45	4.32	-46.13
CN1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Cl	REAL300010803903	0	30	-1.0	-60.49	274.12	3.21	-57.28
CC1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803904	0	33	-1.0	-50.36	276.44	3.67	-46.69
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803905	0	36	-1.0	-51.23	320.15	4.11	-47.12
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010803906	0	29	-1.0	-45.89	273.27	1.64	-44.25
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803907	0	39	-1.0	-65.53	337.24	1.44	-64.09
CC(=O)NC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010803908	0	37	-1.0	-49.13	311.58	1.91	-47.22
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010803909	0	44	-1.0	-70.86	340.05	5.55	-65.31
CS(=O)(=O)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803910	0	35	-1.0	-61.58	303.27	-0.73	-62.31
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1C	REAL300010803911	0	40	-1.0	-52.33	310.61	3.73	-48.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010803912	0	30	-1.0	-48.35	263.66	3.34	-45.01
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010803913	0	41	-1.0	-50.76	335.25	2.87	-47.89
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010803914	0	33	-1.0	-49.03	299.35	4.59	-44.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010803915	0	30	-1.0	-40.12	284.74	4.01	-36.11
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803916	0	43	-1.0	-58.16	353.75	2.83	-55.33
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803917	0	44	-1.0	-60.93	358.20	1.97	-58.96
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803918	0	38	-1.0	-48.50	310.01	5.37	-43.13
CC(C)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803919	0	42	-1.0	-50.36	331.19	5.72	-44.64
COCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803920	0	40	-1.0	-50.16	326.64	3.54	-46.62
COCCN(CCOC)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803921	0	42	-1.0	-49.08	323.02	0.43	-48.65
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803922	0	33	-1.0	-52.53	271.97	3.87	-48.66
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803923	0	46	-1.0	-51.86	364.12	5.57	-46.29
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010803924	0	44	-1.0	-50.33	345.73	5.52	-44.81
CC(C)COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803925	0	43	-1.0	-52.12	345.16	4.96	-47.16
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803926	0	40	-1.0	-52.08	325.05	4.26	-47.82
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010803927	0	34	-1.0	-51.57	295.49	2.89	-48.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010803928	0	34	-1.0	-49.49	305.25	3.17	-46.32
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010803929	0	37	-1.0	-47.75	298.18	2.97	-44.78
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1OC(C)C	REAL300010803930	0	43	-1.0	-48.06	339.83	4.54	-43.52
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300010803931	0	37	-1.0	-51.31	284.69	2.65	-48.66
COCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803932	0	41	-1.0	-50.20	335.00	2.53	-47.67
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300010803933	0	33	-1.0	-50.89	283.43	3.99	-46.90
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803934	0	41	-1.0	-66.50	340.78	2.72	-63.78
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010803935	0	45	-1.0	-52.14	355.37	2.50	-49.64
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Br)=C1	REAL300010803936	0	33	-1.0	-48.35	278.77	3.95	-44.40
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803937	0	36	-1.0	-60.30	315.68	0.69	-59.61
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803938	0	36	-1.0	-57.38	312.24	4.93	-52.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010803939	0	35	-1.0	-56.80	292.81	3.71	-53.09
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803940	0	34	-1.0	-47.73	290.84	4.00	-43.73
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803941	0	34	-1.0	-47.75	275.98	3.75	-44.00
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010803942	0	31	-1.0	-43.67	275.25	3.44	-40.23
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803943	0	34	-1.0	-40.45	297.75	3.98	-36.47
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1OC	REAL300010803944	0	40	-1.0	-54.39	332.06	3.77	-50.62
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010803945	0	39	-1.0	-45.28	320.51	4.09	-41.19
COC(=O)CCN(C)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803946	0	37	-1.0	-54.24	296.46	1.74	-52.50
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010803947	0	40	-1.0	-52.47	320.39	-1.40	-53.87
CN(C1CCOCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803948	0	39	-1.0	-41.46	287.65	0.73	-40.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010803949	0	39	-1.0	-66.61	320.89	3.31	-63.30
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010803950	0	39	-1.0	-56.36	317.58	3.72	-52.64
CCN1N=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300010803951	0	39	-1.0	-57.67	314.02	3.40	-54.27
CC(C)N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010803952	0	36	-1.0	-55.18	297.10	2.28	-52.90
CC(C)CN1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803953	0	39	-1.0	-52.02	316.25	4.14	-47.88
CC(C)N1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803954	0	36	-1.0	-52.05	297.33	3.55	-48.50
CC(C)C1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1	REAL300010803955	0	36	-1.0	-51.71	299.25	1.40	-50.31
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803956	0	42	-1.0	-49.79	303.30	5.58	-44.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803957	0	38	-1.0	-53.19	317.27	2.70	-50.49
CC(=O)NC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1Cl	REAL300010803958	0	37	-1.0	-57.66	330.40	3.07	-54.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010803959	0	37	-1.0	-60.34	316.55	4.41	-55.93
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010803960	0	36	-1.0	-43.54	316.54	3.76	-39.78
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010803961	0	34	-1.0	-44.26	298.92	2.99	-41.27
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010803962	0	40	-1.0	-54.14	336.84	4.56	-49.58
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(Br)O1	REAL300010803963	0	33	-1.0	-47.99	303.58	2.17	-45.82
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C(Br)S1	REAL300010803964	0	30	-1.0	-50.72	270.89	3.21	-47.51
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1	REAL300010803965	0	34	-1.0	-46.58	295.06	1.50	-45.08
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010803966	0	31	-1.0	-40.61	286.23	3.82	-36.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300010803967	0	38	-1.0	-43.67	288.52	4.97	-38.70
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803968	0	36	-1.0	-56.27	309.73	3.84	-52.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803969	0	39	-1.0	-65.06	315.96	0.89	-64.17
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010803970	0	34	-1.0	-49.30	298.44	4.71	-44.59
N#CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300010803971	0	31	-1.0	-40.11	286.19	3.85	-36.26
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803972	0	46	-1.0	-47.24	360.00	4.74	-42.50
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010803973	0	41	-1.0	-51.64	338.06	3.02	-48.62
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010803974	0	42	-1.0	-53.43	360.86	1.16	-52.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010803975	0	38	-1.0	-54.84	328.82	-0.60	-55.44
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010803976	0	40	-1.0	-57.96	347.62	2.22	-55.74
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])O1	REAL300010803977	0	33	-1.0	-45.37	291.36	2.04	-43.33
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803978	0	36	-1.0	-49.04	310.98	2.72	-46.32
CC1=NC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010803979	0	32	-1.0	-50.15	279.44	1.48	-48.67
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010803980	0	32	-1.0	-63.20	264.62	4.42	-58.78
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010803981	0	33	-1.0	-47.85	311.53	4.96	-42.89
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)N1	REAL300010803982	0	43	-1.0	-51.88	350.99	4.15	-47.73
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010803983	0	30	-1.0	-57.14	274.80	4.33	-52.81
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])S2)=CS1	REAL300010803984	0	36	-1.0	-50.37	331.26	3.85	-46.52
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010803985	0	50	-1.0	-50.02	384.56	6.63	-43.39
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010803986	0	40	-1.0	-61.39	347.29	2.63	-58.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(I)=C1	REAL300010803987	0	30	-1.0	-48.58	277.81	4.14	-44.44
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010803988	0	39	-1.0	-62.44	309.97	4.01	-58.43
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010803989	0	32	-1.0	-56.18	286.08	4.96	-51.22
COC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300010803990	0	38	-1.0	-49.30	312.99	2.26	-47.04
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300010803991	0	41	-1.0	-52.93	320.41	2.85	-50.08
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010803992	0	32	-1.0	-57.07	295.80	5.88	-51.19
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010803993	0	33	-1.0	-58.24	290.80	3.74	-54.50
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803994	0	31	-1.0	-41.35	265.11	3.03	-38.32
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803995	0	31	-1.0	-41.64	275.43	3.48	-38.16
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010803996	0	33	-1.0	-48.45	288.12	4.12	-44.33
CC1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010803997	0	33	-1.0	-47.22	260.56	3.44	-43.78
COC(=O)CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010803998	0	36	-1.0	-63.66	311.70	1.96	-61.70
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010803999	0	36	-1.0	-52.75	305.03	5.80	-46.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010804000	0	35	-1.0	-46.72	306.02	4.98	-41.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010804438	0	33	-1.0	-40.74	304.42	4.45	-36.29
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804439	0	41	-1.0	-52.05	328.76	1.50	-50.55
COC1=C(F)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804440	0	36	-1.0	-41.47	313.49	3.87	-37.60
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804441	0	40	-1.0	-49.79	339.84	2.17	-47.62
COC1=CC=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804442	0	40	-1.0	-50.50	329.06	4.03	-46.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010804443	0	33	-1.0	-54.32	291.41	2.05	-52.27
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010804444	0	41	-1.0	-51.25	335.44	4.57	-46.68
CC1=CC=NC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C12	REAL300010804445	0	38	-1.0	-57.97	305.68	4.67	-53.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010804446	0	33	-1.0	-52.94	286.02	4.24	-48.70
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010804447	0	33	-1.0	-43.07	293.25	4.04	-39.03
CC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804448	0	33	-1.0	-47.44	291.33	4.20	-43.24
CSC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804449	0	34	-1.0	-53.65	277.52	3.58	-50.07
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804450	0	41	-1.0	-70.74	334.11	2.56	-68.18
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010804451	0	42	-1.0	-60.99	342.82	2.53	-58.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010804452	0	38	-1.0	-50.89	321.45	4.44	-46.45
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804453	0	40	-1.0	-49.79	339.84	2.17	-47.62
CN(C)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804454	0	38	-1.0	-51.99	301.59	3.46	-48.53
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010804455	0	33	-1.0	-45.94	300.69	4.54	-41.40
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(OC)=C1	REAL300010804456	0	40	-1.0	-50.26	330.88	3.63	-46.63
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=CS1	REAL300010804457	0	36	-1.0	-53.51	297.24	3.78	-49.73
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300010804458	0	34	-1.0	-45.44	285.72	2.39	-43.05
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804459	0	41	-1.0	-56.27	334.18	3.30	-52.97
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804460	0	44	-1.0	-54.73	359.58	4.21	-50.52
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804461	0	39	-1.0	-53.29	303.71	5.03	-48.26
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010804462	0	44	-1.0	-53.75	362.03	6.43	-47.32
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804463	0	38	-1.0	-55.41	323.69	5.07	-50.34
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804464	0	42	0.0	-71.18	328.41	4.94	-66.24
CN(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804465	0	38	-1.0	-54.74	303.33	3.72	-51.02
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300010804466	0	45	-1.0	-46.84	373.63	5.72	-41.12
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010804467	0	33	-1.0	-48.61	289.77	3.82	-44.79
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804468	0	42	-1.0	-62.38	331.84	4.93	-57.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010804469	0	30	-1.0	-39.97	277.01	3.72	-36.25
CC1=C(Cl)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804470	0	30	-1.0	-46.93	280.78	3.49	-43.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010804471	0	36	-1.0	-51.31	299.13	3.61	-47.70
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804472	0	34	-1.0	-48.35	284.00	2.34	-46.01
CC1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010804473	0	38	-1.0	-61.88	311.45	6.58	-55.30
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010804474	0	36	-1.0	-50.55	311.02	4.82	-45.73
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010804475	0	40	-1.0	-42.72	337.41	5.89	-36.83
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804476	0	33	-1.0	-45.34	292.73	4.45	-40.89
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010804477	0	35	-1.0	-55.61	290.40	3.32	-52.29
CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804478	0	36	-1.0	-57.24	302.56	4.59	-52.65
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804479	0	38	-1.0	-60.46	302.07	4.67	-55.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010804480	0	30	-1.0	-44.20	272.12	3.74	-40.46
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010804481	0	40	-1.0	-42.72	337.41	5.89	-36.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010804482	0	29	-1.0	-42.52	267.81	1.74	-40.78
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010804483	0	30	-1.0	-40.08	284.74	4.01	-36.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010804484	0	41	-1.0	-45.41	346.69	2.87	-42.54
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010804485	0	30	-1.0	-47.24	272.89	3.41	-43.83
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804486	0	40	-1.0	-60.35	318.73	5.14	-55.21
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804487	0	33	-1.0	-45.70	277.29	-0.26	-45.96
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C#N	REAL300010804488	0	34	-1.0	-43.34	288.58	3.81	-39.53
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804489	0	36	-1.0	-41.90	307.92	3.61	-38.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804490	0	34	-1.0	-54.15	292.77	3.47	-50.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010804491	0	31	-1.0	-44.38	279.42	1.95	-42.43
O=C([O-])C1COCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010804492	0	43	-1.0	-50.04	343.05	6.53	-43.51
CC(C)(C)C1=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=NO1	REAL300010804493	0	41	-1.0	-49.67	336.23	3.97	-45.70
O=C([O-])C1COCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010804494	0	47	-1.0	-60.64	348.78	9.13	-51.51
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C12	REAL300010804495	0	44	-1.0	-52.50	338.62	4.78	-47.72
COC1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804496	0	37	-1.0	-57.57	284.71	2.65	-54.92
COC(=O)C1=CN=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804497	0	35	-1.0	-53.55	300.04	1.89	-51.66
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010804498	0	31	-1.0	-40.43	290.52	3.92	-36.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010804499	0	32	-1.0	-47.07	295.86	4.25	-42.82
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804500	0	37	-1.0	-49.60	311.22	3.63	-45.97
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804501	0	36	-1.0	-46.41	331.35	3.95	-42.46
CN(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804502	0	37	-1.0	-49.51	299.44	2.77	-46.74
COC1=CC(Cl)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300010804503	0	38	-1.0	-48.68	313.66	2.39	-46.29
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010804504	0	34	-1.0	-51.25	295.43	2.69	-48.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010804505	0	33	-1.0	-46.02	292.94	3.99	-42.03
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804506	0	41	-1.0	-50.15	342.01	-0.04	-50.19
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2S1	REAL300010804507	0	42	-1.0	-50.67	363.30	5.98	-44.69
N#CCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804508	0	34	-1.0	-52.56	292.25	4.21	-48.35
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010804509	0	36	-1.0	-59.00	310.42	2.69	-56.31
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804510	0	35	-1.0	-53.00	306.86	-1.33	-54.33
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804511	0	36	-1.0	-46.84	309.19	3.71	-43.13
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804512	0	38	-1.0	-61.90	318.01	4.45	-57.45
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Br)=C1	REAL300010804513	0	34	-1.0	-47.46	286.91	2.59	-44.87
CC1=CC2=C(C=C1S(=O)(=O)N1CCOCC1C(=O)[O-])OCO2	REAL300010804514	0	36	-1.0	-54.49	281.17	2.03	-52.46
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804515	0	36	-1.0	-43.76	297.54	4.27	-39.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010804516	0	30	-1.0	-43.38	271.92	3.72	-39.66
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804517	0	36	-1.0	-43.15	273.85	4.00	-39.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010804518	0	30	-1.0	-47.10	274.00	3.78	-43.32
COC1=CC2=C(C=C1S(=O)(=O)N1CCOCC1C(=O)[O-])OCC(=O)N2	REAL300010804519	0	40	-1.0	-56.07	326.65	0.18	-55.89
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010804520	0	32	-1.0	-45.33	298.74	4.21	-41.12
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804521	0	28	-1.0	-45.66	264.47	2.77	-42.89
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010804522	0	32	-1.0	-40.79	295.03	4.09	-36.70
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010804523	0	30	-1.0	-50.01	284.53	4.79	-45.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010804524	0	31	-1.0	-49.67	275.53	1.51	-48.16
COC1=CN=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804525	0	33	-1.0	-50.26	274.66	0.50	-49.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010804526	0	30	-1.0	-45.23	275.01	3.65	-41.58
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300010804527	0	40	-1.0	-49.63	329.33	3.71	-45.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010804528	0	30	-1.0	-43.12	274.17	3.80	-39.32
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010804529	0	33	-1.0	-52.67	294.83	4.47	-48.20
CC(=O)NC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804530	0	33	-1.0	-61.36	296.51	0.70	-60.66
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804530	1	32	-2.0	-105.91	293.50	-0.44	-106.35
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010804531	0	33	-1.0	-52.60	299.39	4.58	-48.02
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804532	0	34	-1.0	-58.59	301.28	0.35	-58.24
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804533	0	39	-1.0	-63.14	317.99	5.37	-57.77
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804534	0	38	-1.0	-60.50	310.44	0.92	-59.58
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804535	0	34	-1.0	-58.38	305.84	0.45	-57.93
CCOC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804536	0	37	-1.0	-56.12	301.37	3.27	-52.85
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2O1	REAL300010804537	0	41	-1.0	-55.11	328.26	4.40	-50.71
N#CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010804538	0	34	-1.0	-39.45	306.69	4.21	-35.24
COCCN(CCC#N)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804539	0	39	-1.0	-55.50	313.17	2.16	-53.34
CC1=CC=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804540	0	39	-1.0	-50.75	320.96	5.41	-45.34
COC1=CC=C(Br)C(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804541	0	37	-1.0	-53.90	324.31	3.82	-50.08
N#CC1CN(S(=O)(=O)N2CCOCC2C(=O)[O-])CCO1	REAL300010804542	0	34	-1.0	-46.55	282.30	0.45	-46.10
CCN(CC(C)C#N)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804543	0	38	-1.0	-48.79	294.65	3.27	-45.52
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010804544	0	33	-1.0	-52.08	283.55	2.09	-49.99
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804545	0	31	-1.0	-43.04	278.34	3.48	-39.56
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804546	0	31	-1.0	-45.86	279.96	3.58	-42.28
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804547	0	36	-1.0	-47.50	294.29	4.37	-43.13
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010804548	0	36	-1.0	-61.05	303.07	4.15	-56.90
COCCOCCOCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804549	0	44	-1.0	-51.68	362.77	0.55	-51.13
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804550	0	40	-1.0	-66.78	336.74	0.47	-66.31
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010804551	0	30	-1.0	-53.67	278.21	4.30	-49.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2CC1	REAL300010804552	0	47	-1.0	-63.24	365.03	5.28	-57.96
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010804553	0	39	-1.0	-40.65	333.55	4.39	-36.26
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300010804554	0	40	-1.0	-46.44	340.46	4.66	-41.78
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804555	0	39	-1.0	-49.64	319.41	5.39	-44.25
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804556	0	39	-1.0	-50.03	315.21	5.10	-44.93
CN(C(=O)N1CCOCC1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010804557	0	37	-1.0	-68.21	289.89	1.56	-66.65
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804558	0	40	-1.0	-58.23	334.53	2.24	-55.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010804559	0	30	-1.0	-48.46	271.08	3.56	-44.90
O=C([O-])C1COCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010804560	0	43	-1.0	-51.99	355.07	4.79	-47.20
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010804561	0	39	-1.0	-45.94	343.42	5.02	-40.92
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010804562	0	32	-1.0	-50.41	301.47	5.22	-45.19
O=C([O-])C1COCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010804563	0	39	-1.0	-60.21	315.64	0.35	-59.86
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804564	0	38	-1.0	-50.04	319.31	4.53	-45.51
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300010804565	0	41	-1.0	-50.27	342.25	2.92	-47.35
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(F)C=C1C	REAL300010804566	0	42	-1.0	-49.97	346.92	5.16	-44.81
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804567	0	44	-1.0	-66.70	361.57	1.25	-65.45
COCC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804568	0	41	-1.0	-57.17	331.13	2.67	-54.50
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804569	0	43	-1.0	-63.75	352.56	4.53	-59.22
CCOC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C	REAL300010804570	0	42	-1.0	-50.80	342.41	5.01	-45.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010804571	0	33	-1.0	-50.73	281.48	4.15	-46.58
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804572	0	42	-1.0	-55.05	348.82	5.40	-49.65
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804573	0	36	-1.0	-44.53	317.43	5.08	-39.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010804574	0	33	-1.0	-49.70	294.51	4.83	-44.87
CC(COC1CCCC1)CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804575	0	46	-1.0	-48.92	355.11	4.54	-44.38
CC1=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])SC=N1	REAL300010804576	0	35	-1.0	-49.41	303.52	2.47	-46.94
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010804577	0	36	-1.0	-51.30	316.28	5.25	-46.05
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804578	0	39	-1.0	-56.99	330.91	4.61	-52.38
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010804579	0	40	-1.0	-52.58	326.05	6.72	-45.86
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804580	0	44	-1.0	-51.75	369.22	0.83	-50.92
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010804581	0	33	-1.0	-50.19	294.82	4.51	-45.68
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1C	REAL300010804582	0	42	-1.0	-46.73	353.64	4.35	-42.38
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300010804583	0	36	-1.0	-58.75	319.15	0.86	-57.89
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010804584	0	34	-1.0	-57.54	299.86	4.36	-53.18
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010804585	0	33	-1.0	-46.80	284.25	3.96	-42.84
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804586	0	32	-1.0	-44.69	267.43	1.99	-42.70
CC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(Br)N1C	REAL300010804587	0	33	-1.0	-53.26	297.14	2.34	-50.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010804588	0	31	-1.0	-49.05	273.49	1.90	-47.15
COC(=O)C(C)(C)CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804589	0	38	-1.0	-49.08	303.22	3.11	-45.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804590	0	43	-1.0	-50.30	343.56	3.89	-46.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010804591	0	33	-2.0	-100.87	293.06	2.73	-98.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010804591	1	34	-1.0	-52.84	291.18	2.25	-50.59
CCOC(=O)CC1(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804592	0	39	-1.0	-53.84	312.64	4.73	-49.11
N#CC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010804593	0	31	-1.0	-42.93	294.75	3.94	-38.99
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804594	0	41	-1.0	-55.01	345.69	2.47	-52.54
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010804595	0	45	-1.0	-51.48	362.65	5.73	-45.75
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804596	0	42	-1.0	-54.90	353.74	2.25	-52.65
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010804597	0	35	-1.0	-43.82	295.02	0.14	-43.68
COC(=O)C1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCCC1	REAL300010804598	0	42	-1.0	-51.88	324.14	4.82	-47.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010804599	0	29	-1.0	-41.71	281.39	2.25	-39.46
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804600	0	37	-1.0	-47.53	321.80	3.28	-44.25
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010804601	0	36	-1.0	-45.61	304.44	4.53	-41.08
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010804602	0	41	-1.0	-45.57	354.18	6.24	-39.33
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804603	0	39	-1.0	-58.66	328.81	4.75	-53.91
O=C([O-])C1COCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010804604	0	32	-1.0	-54.36	281.04	2.75	-51.61
O=C([O-])C1COCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010804605	0	40	-1.0	-51.89	303.08	4.62	-47.27
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010804606	0	36	-1.0	-48.95	315.69	5.17	-43.78
COC(=O)C1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCC1	REAL300010804607	0	39	-1.0	-54.63	314.47	3.66	-50.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010804608	0	30	-1.0	-46.01	284.38	3.48	-42.53
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804609	0	34	-1.0	-56.95	296.19	4.14	-52.81
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804610	0	43	-1.0	-49.53	359.83	3.41	-46.12
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804611	0	46	-1.0	-49.23	381.69	4.34	-44.89
COC(=O)C1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCCCC1	REAL300010804612	0	45	-1.0	-50.86	331.01	5.12	-45.74
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN=C1C	REAL300010804613	0	38	-1.0	-48.37	318.29	2.62	-45.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010804614	0	34	-1.0	-43.48	300.35	2.85	-40.63
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804615	0	39	-1.0	-53.08	343.40	5.15	-47.93
N#CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804616	0	31	-1.0	-40.47	276.73	3.45	-37.02
O=C([O-])C1COCCN1S(=O)(=O)CCC1CCOCC1	REAL300010804617	0	40	-1.0	-49.32	311.46	2.52	-46.80
O=C([O-])C1COCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010804618	0	46	-1.0	-58.37	387.38	5.10	-53.27
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804619	0	33	-1.0	-49.64	285.74	3.58	-46.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010804620	0	32	-1.0	-39.59	290.82	2.44	-37.15
O=C([O-])C1COCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010804621	0	43	-1.0	-51.46	311.69	5.19	-46.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010804622	0	39	-1.0	-55.50	314.80	4.65	-50.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010804623	0	31	-1.0	-42.72	289.80	2.74	-39.98
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010804624	0	36	-1.0	-54.52	312.22	4.89	-49.63
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010804625	0	33	-1.0	-44.33	276.92	1.52	-42.81
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010804626	0	32	-1.0	-50.51	291.93	5.00	-45.51
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(F)C=C1C	REAL300010804627	0	39	-1.0	-49.53	325.06	4.23	-45.30
CC1=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2N=C1Cl	REAL300010804628	0	38	-1.0	-52.46	326.42	4.43	-48.03
O=C([O-])C1COCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010804629	0	39	-1.0	-50.59	306.53	4.41	-46.18
O=C([O-])C1COCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010804630	0	40	-1.0	-50.31	333.57	4.00	-46.31
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(C)C)=C1	REAL300010804631	0	57	-1.0	-56.90	417.37	9.40	-47.50
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010804632	0	35	-1.0	-53.59	302.43	4.54	-49.05
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804633	0	42	-1.0	-52.62	354.72	5.54	-47.08
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804634	0	35	-1.0	-61.17	291.69	2.63	-58.54
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804635	0	37	-1.0	-46.25	317.18	3.23	-43.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010804636	0	37	-1.0	-52.88	301.07	5.42	-47.46
COC1=CC=C2C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])CCC2=C1	REAL300010804637	0	42	-1.0	-51.08	337.55	4.81	-46.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010804638	0	38	-1.0	-46.31	308.75	3.78	-42.53
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010804639	0	33	-1.0	-48.07	287.63	3.66	-44.41
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010804640	0	33	-1.0	-52.95	305.47	4.96	-47.99
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010804641	0	33	-1.0	-45.95	305.11	4.64	-41.31
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804642	0	39	-1.0	-65.48	338.77	1.47	-64.01
O=C([O-])C1COCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010804643	0	33	-1.0	-54.03	279.21	3.43	-50.60
O=C([O-])C1COCCN1S(=O)(=O)CCC1CCCCC1	REAL300010804644	0	42	-1.0	-49.29	320.33	4.90	-44.39
CC1=CC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C=C1	REAL300010804645	0	39	-1.0	-52.98	317.37	5.97	-47.01
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010804646	0	27	-1.0	-47.02	257.41	3.00	-44.02
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804647	0	39	-1.0	-47.82	334.41	4.89	-42.93
O=C(COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1)NC1CC1	REAL300010804648	0	45	-1.0	-52.48	371.68	3.59	-48.89
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804649	0	43	-1.0	-62.19	348.57	3.61	-58.58
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010804650	0	33	-1.0	-54.89	294.71	4.35	-50.54
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010804651	0	36	-1.0	-51.84	299.07	5.27	-46.57
CCC1=CC(CC)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(CC)=C1	REAL300010804652	0	48	-1.0	-57.61	358.57	8.05	-49.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010804653	0	35	-1.0	-47.93	284.43	2.77	-45.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010804654	0	37	-1.0	-61.69	306.04	2.79	-58.90
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010804655	0	32	-1.0	-52.95	296.81	2.85	-50.10
COC1=CC(OC)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804656	0	38	-1.0	-55.57	321.71	2.82	-52.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010804657	0	38	-1.0	-42.09	319.78	1.49	-40.60
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804658	0	35	-1.0	-56.43	304.27	-1.98	-58.41
CC(C)(CCS(=O)(=O)N1CCOCC1C(=O)[O-])S(C)(=O)=O	REAL300010804659	0	41	-1.0	-68.42	327.54	0.34	-68.08
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300010804660	0	34	-1.0	-45.70	295.49	2.90	-42.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010804661	0	33	-1.0	-51.55	293.42	1.00	-50.55
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804662	0	43	-1.0	-53.41	348.93	3.92	-49.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010804663	0	35	-1.0	-54.70	286.66	2.99	-51.71
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010804664	0	39	-1.0	-53.76	327.97	6.56	-47.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010804665	0	34	-1.0	-53.26	292.20	3.29	-49.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010804666	0	34	-1.0	-52.04	302.50	3.74	-48.30
COC(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804667	0	39	-1.0	-49.75	332.45	4.52	-45.23
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804668	0	43	-1.0	-54.27	343.60	4.50	-49.77
COC(CC(C)C)CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804669	0	42	-1.0	-50.06	328.03	3.12	-46.94
COC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804670	0	34	-1.0	-55.77	282.43	3.02	-52.75
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010804671	0	33	-1.0	-48.55	307.36	4.83	-43.72
O=C([O-])C1COCCN1S(=O)(=O)CCCC1CCOC1	REAL300010804672	0	40	-1.0	-49.51	315.08	2.50	-47.01
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010804673	0	33	-1.0	-49.30	311.56	5.03	-44.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010804674	0	33	-1.0	-47.56	288.20	2.03	-45.53
CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010804675	0	38	-1.0	-56.73	312.39	4.74	-51.99
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804676	0	46	-1.0	-56.49	352.21	5.27	-51.22
N#CCC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804677	0	37	-1.0	-56.53	320.29	5.12	-51.41
COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804678	0	34	-1.0	-55.86	279.52	2.34	-53.52
COC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804679	0	33	-1.0	-44.55	293.30	0.18	-44.37
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300010804680	0	39	-1.0	-46.42	331.05	4.64	-41.78
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804681	0	39	-1.0	-49.56	342.47	4.60	-44.96
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010804682	0	33	-1.0	-49.13	294.78	4.48	-44.65
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300010804683	0	33	-1.0	-46.60	285.51	4.13	-42.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010804684	0	36	-1.0	-65.51	298.13	4.01	-61.50
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=N1	REAL300010804685	0	39	-1.0	-52.78	336.24	4.48	-48.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010804686	0	36	-1.0	-45.53	324.12	4.16	-41.37
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804687	0	39	-1.0	-57.08	329.22	4.31	-52.77
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804688	0	37	-1.0	-52.57	303.55	3.46	-49.11
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804689	0	36	-1.0	-49.14	311.95	5.06	-44.08
O=C([O-])C1COCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010804690	0	43	-1.0	-49.51	332.97	3.29	-46.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010804691	0	45	-1.0	-44.45	367.11	1.06	-43.39
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010804692	0	38	-1.0	-57.42	307.54	4.64	-52.78
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010804693	0	37	-1.0	-56.85	315.16	0.91	-55.94
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010804694	0	30	-1.0	-39.46	271.21	3.50	-35.96
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC(Br)=C1	REAL300010804695	0	30	-1.0	-45.21	285.54	3.51	-41.70
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010804696	0	39	-1.0	-51.13	309.66	3.49	-47.64
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804697	0	40	-1.0	-46.58	319.15	1.69	-44.89
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010804698	0	36	-1.0	-48.70	305.96	4.80	-43.90
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010804699	0	36	-1.0	-49.68	305.12	4.76	-44.92
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010804700	0	36	-1.0	-49.07	312.17	5.10	-43.97
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804701	0	34	-1.0	-49.92	303.07	3.62	-46.30
COC1=CC2=C(C=C1S(=O)(=O)N1CCOCC1C(=O)[O-])C(=O)NCCC2	REAL300010804702	0	45	-1.0	-67.50	352.02	2.03	-65.47
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])S2)C1	REAL300010804703	0	41	-1.0	-50.22	342.91	3.76	-46.46
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010804704	0	37	-1.0	-50.90	327.84	5.48	-45.42
COC1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804705	0	39	-1.0	-47.85	298.19	1.14	-46.71
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CCOC1	REAL300010804706	0	41	-1.0	-53.50	319.82	0.73	-52.77
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010804707	0	33	-1.0	-50.13	301.23	4.59	-45.54
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010804708	0	33	-1.0	-50.37	298.00	4.49	-45.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010804709	0	30	-1.0	-42.12	286.65	4.06	-38.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804710	0	37	-1.0	-63.62	304.56	0.38	-63.24
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804711	0	55	-1.0	-51.91	432.54	8.17	-43.74
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804712	0	45	-1.0	-54.77	361.71	5.66	-49.11
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010804713	0	30	-1.0	-39.56	275.62	3.60	-35.96
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804714	0	36	-1.0	-41.90	307.92	3.61	-38.29
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010804715	0	44	-1.0	-50.12	358.17	6.09	-44.03
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010804716	0	44	-1.0	-45.79	367.46	6.36	-39.43
O=C([O-])C1COCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010804717	0	29	-1.0	-56.57	260.62	2.78	-53.79
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2)=N1	REAL300010804718	0	42	-1.0	-58.75	333.22	2.44	-56.31
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010804719	0	40	-1.0	-52.45	336.10	4.22	-48.23
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010804720	0	42	-1.0	-50.61	333.41	4.48	-46.13
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N(C)N=C1	REAL300010804721	0	36	-1.0	-51.72	300.60	2.43	-49.29
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300010804722	0	38	-1.0	-51.17	332.44	2.18	-48.99
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C12	REAL300010804723	0	42	-1.0	-54.57	335.07	5.43	-49.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804724	0	41	-1.0	-58.80	334.74	2.33	-56.47
CCOC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CC1	REAL300010804725	0	40	-1.0	-50.00	318.21	3.67	-46.33
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010804726	0	36	-1.0	-45.94	313.78	3.72	-42.22
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C(Cl)C=C21	REAL300010804727	0	41	-1.0	-53.65	334.37	4.24	-49.41
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804728	0	43	-1.0	-56.98	341.09	4.84	-52.14
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CCCC1	REAL300010804729	0	43	-1.0	-53.09	325.55	3.71	-49.38
COC(CS(=O)(=O)N1CCOCC1C(=O)[O-])C1CCCCC1	REAL300010804730	0	46	-1.0	-53.44	340.51	4.31	-49.13
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010804731	0	33	-1.0	-47.39	291.58	2.80	-44.59
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300010804732	0	49	-1.0	-49.52	377.91	6.02	-43.50
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010804733	0	33	-1.0	-64.97	299.52	2.84	-62.13
COC1=CC(F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804734	0	34	-1.0	-49.49	282.63	3.02	-46.47
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010804735	0	38	-1.0	-50.94	314.19	5.35	-45.59
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804736	0	37	-1.0	-51.03	299.74	3.40	-47.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010804737	0	43	-1.0	-48.08	343.76	5.27	-42.81
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])O1	REAL300010804738	0	36	-1.0	-54.54	310.97	3.28	-51.26
CCC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1CC1CC1	REAL300010804739	0	43	-1.0	-59.91	352.31	5.61	-54.30
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C1	REAL300010804740	0	41	-1.0	-61.47	335.06	3.60	-57.87
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804741	0	33	-1.0	-46.86	291.15	1.77	-45.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010804742	0	41	-1.0	-51.30	352.77	7.43	-43.87
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804743	0	33	-1.0	-45.44	292.74	4.45	-40.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010804744	0	40	-1.0	-58.79	317.37	6.57	-52.22
CC1=CC=C(Br)C(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804745	0	36	-1.0	-50.77	316.24	5.19	-45.58
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804746	0	37	-1.0	-53.14	320.37	4.23	-48.91
O=C([O-])C1COCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010804747	0	36	-1.0	-54.48	310.17	4.78	-49.70
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1F	REAL300010804748	0	33	-1.0	-45.48	280.95	3.75	-41.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010804749	0	29	-1.0	-41.25	271.08	1.68	-39.57
CC(C)OC1=CN=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804750	0	39	-1.0	-48.84	314.10	1.97	-46.87
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010804751	0	36	-1.0	-53.34	302.82	1.43	-51.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010804752	0	37	-1.0	-45.07	325.61	2.31	-42.76
COC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])OC=C1	REAL300010804753	0	33	-1.0	-51.93	285.72	3.19	-48.74
CCC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)C=C1OC	REAL300010804754	0	43	-1.0	-54.09	326.43	4.18	-49.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010804755	0	36	-1.0	-47.30	323.41	5.11	-42.19
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804756	0	38	-1.0	-54.70	321.66	4.60	-50.10
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=N1	REAL300010804757	0	32	-1.0	-52.72	280.30	2.21	-50.51
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804758	0	33	-1.0	-45.65	301.87	4.86	-40.79
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010804759	0	39	-1.0	-49.03	293.18	5.52	-43.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010804760	0	37	-1.0	-45.08	306.10	2.80	-42.28
N#CCC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804761	0	34	-1.0	-50.92	285.04	4.36	-46.56
CC1=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2NC1=O	REAL300010804762	0	39	-1.0	-49.46	321.44	2.79	-46.67
CN1N=NC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804763	0	35	-1.0	-44.04	292.46	1.40	-42.64
CC1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010804764	0	39	-1.0	-59.39	337.24	4.96	-54.43
O=C([O-])C1COCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010804765	0	30	-1.0	-49.48	269.56	0.40	-49.08
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010804766	0	35	-1.0	-40.91	301.24	4.38	-36.53
O=C([O-])C1COCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010804767	0	36	-1.0	-51.97	306.33	4.33	-47.64
O=C([O-])C1COCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010804768	0	42	0.0	-60.96	323.56	4.19	-56.77
C[NH+]1CCN(CCCS(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804769	0	47	0.0	-69.67	354.92	2.31	-67.36
CN1CCN(CCCS(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804769	1	46	-1.0	-49.83	352.02	-0.05	-49.88
CN1N=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1Br	REAL300010804770	0	30	-1.0	-49.07	267.59	0.79	-48.28
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804771	0	34	-1.0	-62.38	290.50	4.66	-57.72
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804772	0	39	-1.0	-49.36	319.23	1.50	-47.86
CCCCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=N1	REAL300010804773	0	42	-1.0	-48.52	331.72	3.42	-45.10
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(OC)C=C1F	REAL300010804774	0	40	-1.0	-52.82	335.21	3.62	-49.20
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804775	0	40	-1.0	-62.16	325.05	3.74	-58.42
COC1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804776	0	34	-1.0	-46.61	279.64	3.20	-43.41
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300010804777	0	46	-1.0	-49.95	356.41	5.22	-44.73
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804778	0	42	-1.0	-51.41	326.84	5.19	-46.22
N#CC1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804779	0	31	-1.0	-42.39	275.86	3.39	-39.00
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010804780	0	33	-1.0	-48.58	292.43	4.28	-44.30
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010804781	0	49	-1.0	-52.11	379.90	7.77	-44.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300010804782	0	34	-1.0	-50.67	283.10	2.85	-47.82
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010804783	0	27	-1.0	-57.25	253.60	1.74	-55.51
O=C([O-])C1COCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010804784	0	38	-1.0	-57.62	322.90	4.08	-53.54
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010804785	0	29	-1.0	-42.65	267.13	1.83	-40.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010804786	0	29	-1.0	-41.15	266.47	1.60	-39.55
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010804787	0	29	-1.0	-40.49	256.00	1.11	-39.38
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804788	0	33	-1.0	-48.16	295.35	0.96	-47.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010804789	0	35	-1.0	-55.36	307.79	4.12	-51.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010804790	0	32	-1.0	-45.67	289.77	2.91	-42.76
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010804791	0	40	-1.0	-50.14	336.89	3.92	-46.22
O=C([O-])C1COCCN1S(=O)(=O)N=S1(=O)CCCC1	REAL300010804792	0	34	-1.0	-62.22	285.42	0.52	-61.70
CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CC1(Cl)Cl	REAL300010804793	0	33	-1.0	-44.73	296.02	4.07	-40.66
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010804794	0	29	-1.0	-48.06	277.45	1.43	-46.63
CCS(=O)(CC)=NS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804795	0	36	-1.0	-74.88	300.96	0.69	-74.19
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010804796	0	32	-1.0	-58.38	286.92	3.99	-54.39
O=C([O-])C1COCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010804797	0	38	-1.0	-47.30	307.84	2.60	-44.70
CCN1CC(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1=O	REAL300010804798	0	37	-1.0	-47.32	302.63	2.00	-45.32
CCOC(=O)C1(S(=O)(=O)N2CCOCC2C(=O)[O-])CCC1	REAL300010804799	0	39	-1.0	-47.16	306.06	3.87	-43.29
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010804800	0	41	-1.0	-55.72	339.85	-0.20	-55.92
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010804801	0	31	-1.0	-42.64	296.97	2.40	-40.24
COC(=O)C1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804802	0	39	-1.0	-52.87	332.86	4.62	-48.25
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010804803	0	33	-1.0	-54.08	302.33	4.87	-49.21
CN1N=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C(F)(F)F	REAL300010804804	0	33	-1.0	-47.72	272.00	1.33	-46.39
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804805	0	40	-1.0	-52.20	311.51	3.50	-48.70
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010804806	0	27	-1.0	-44.77	250.26	2.23	-42.54
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010804807	0	42	-1.0	-53.02	323.89	3.20	-49.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010804808	0	40	-1.0	-54.31	319.81	3.54	-50.77
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804809	0	33	-1.0	-41.62	275.86	1.97	-39.65
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Br)=N1	REAL300010804810	0	30	-1.0	-45.06	269.55	0.88	-44.18
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010804811	0	32	-1.0	-44.94	291.12	2.02	-42.92
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804812	0	37	-1.0	-54.89	312.69	3.40	-51.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010804813	0	44	-1.0	-45.75	354.56	4.01	-41.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010804814	0	30	-2.0	-102.92	260.40	1.77	-101.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010804814	1	31	-1.0	-53.57	258.52	1.31	-52.26
C=CCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804815	0	40	-1.0	-50.05	327.27	5.81	-44.24
COC(=O)C1=CNN=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804816	0	33	-1.0	-57.35	284.69	0.99	-56.36
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804817	0	33	-1.0	-45.58	301.87	4.86	-40.72
CCC1=NN(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804818	0	36	-1.0	-48.96	288.14	1.56	-47.40
CC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804819	0	35	-1.0	-59.85	294.97	3.52	-56.33
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804820	0	39	-1.0	-59.07	320.12	1.23	-57.84
CCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300010804821	0	52	-1.0	-48.75	402.99	6.86	-41.89
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C#N)=C1	REAL300010804822	0	34	-1.0	-47.05	280.12	3.63	-43.42
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804823	0	34	-1.0	-60.68	286.05	4.48	-56.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010804824	0	33	-1.0	-49.16	287.38	3.88	-45.28
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010804825	0	41	-1.0	-54.80	330.69	3.30	-51.50
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010804826	0	34	-1.0	-49.18	303.04	4.87	-44.31
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)(C)C	REAL300010804827	0	52	-1.0	-49.26	394.05	6.75	-42.51
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1CC	REAL300010804828	0	46	-1.0	-49.05	364.59	5.55	-43.50
N#CCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804829	0	37	-1.0	-53.59	313.82	4.99	-48.60
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804830	0	36	-1.0	-43.30	284.18	4.44	-38.86
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804831	0	44	-1.0	-70.78	349.68	2.84	-67.94
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010804832	0	33	-1.0	-50.82	303.13	4.78	-46.04
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010804833	0	33	-1.0	-52.19	294.03	4.38	-47.81
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010804834	0	40	-1.0	-52.37	336.41	5.17	-47.20
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804835	0	36	-1.0	-47.25	311.52	5.09	-42.16
CC1=CN=C(Cl)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804836	0	32	-1.0	-45.87	271.78	1.97	-43.90
COC1=CC=C(Br)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010804837	0	34	-1.0	-57.39	305.35	3.61	-53.78
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804838	0	40	-1.0	-48.03	323.82	5.40	-42.63
CC(C)(CCS(=O)(=O)N1CCOCC1C(=O)[O-])C1CC1	REAL300010804839	0	42	-1.0	-49.38	318.57	4.66	-44.72
CCOC(=O)C1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N(C)N=C1	REAL300010804840	0	39	-1.0	-46.31	316.22	3.16	-43.15
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010804841	0	34	-1.0	-52.95	298.81	4.73	-48.22
CC(F)(F)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804842	0	35	-1.0	-52.31	293.75	3.39	-48.92
O=C([O-])C1COCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300010804843	0	39	-1.0	-51.06	321.05	5.52	-45.54
O=C([O-])C1COCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010804844	0	35	-1.0	-56.18	289.75	-0.09	-56.27
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C(C(N)=O)O1	REAL300010804845	0	34	-1.0	-60.70	283.41	-1.59	-62.29
CCCC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804846	0	39	-1.0	-52.09	303.46	5.43	-46.66
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(=O)OC	REAL300010804847	0	42	-1.0	-45.42	355.78	4.56	-40.86
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804848	0	43	-1.0	-50.31	352.56	3.72	-46.59
O=C([O-])C1COCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010804849	0	39	-1.0	-50.89	314.40	3.89	-47.00
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010804850	0	30	-1.0	-51.61	266.26	3.01	-48.60
COC(=O)C1=CC=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804851	0	35	-1.0	-55.28	304.26	2.79	-52.49
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010804852	0	36	-1.0	-52.35	305.96	4.81	-47.54
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804853	0	46	-1.0	-53.22	373.06	6.40	-46.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010804854	0	35	-1.0	-58.36	285.82	3.59	-54.77
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804855	0	50	-1.0	-55.55	372.31	5.18	-50.37
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804856	0	37	-1.0	-63.52	313.94	3.55	-59.97
N#CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=CS1	REAL300010804857	0	28	-1.0	-45.72	255.79	2.18	-43.54
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804858	0	44	-1.0	-46.12	341.73	2.96	-43.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010804859	0	45	-1.0	-74.45	360.45	5.68	-68.77
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804860	0	44	-1.0	-62.60	352.78	5.33	-57.27
COC1=NC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804861	0	33	-1.0	-50.51	274.04	0.37	-50.14
CCC1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804862	0	41	-1.0	-49.18	309.38	3.69	-45.49
O=C([O-])C1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300010804863	0	37	-2.0	-106.79	293.17	2.64	-104.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010804864	0	37	-1.0	-48.69	302.28	2.89	-45.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010804865	0	37	-1.0	-50.46	299.37	2.81	-47.65
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010804866	0	40	-1.0	-48.65	318.03	3.76	-44.89
COC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300010804867	0	42	-1.0	-54.64	340.76	5.92	-48.72
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804868	0	43	-1.0	-63.42	351.58	4.45	-58.97
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804869	0	40	-1.0	-60.81	325.35	3.75	-57.06
CC1(C)COC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=NN2C1	REAL300010804870	0	41	-1.0	-55.69	327.80	1.01	-54.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010804871	0	36	-1.0	-52.68	318.71	4.11	-48.57
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010804872	0	36	-1.0	-51.16	299.34	0.16	-51.00
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010804873	0	27	-1.0	-51.92	257.64	2.46	-49.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2CCCCN21	REAL300010804874	0	37	-1.0	-52.54	297.49	2.94	-49.60
COC1=C(F)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804875	0	34	-1.0	-44.78	295.28	2.63	-42.15
COC1=CC(F)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300010804876	0	34	-1.0	-49.77	290.00	2.41	-47.36
CCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(C)C	REAL300010804877	0	55	-1.0	-49.29	420.90	7.59	-41.70
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300010804878	0	46	-1.0	-57.94	360.27	5.44	-52.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804879	0	40	-1.0	-55.30	317.51	4.39	-50.91
CC1=CSC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804880	0	33	-1.0	-47.95	263.05	3.14	-44.81
CC1CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2O1	REAL300010804881	0	38	-1.0	-55.35	299.53	3.51	-51.84
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804882	0	38	-1.0	-51.23	320.27	2.82	-48.41
N#CC1(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)CC1	REAL300010804883	0	38	-1.0	-48.43	318.29	5.24	-43.19
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804884	0	34	-1.0	-46.69	286.29	3.12	-43.57
CC1=C(Br)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C(C)S1	REAL300010804885	0	33	-1.0	-42.74	282.34	3.80	-38.94
CC1=CC(Cl)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(Br)=C1	REAL300010804886	0	33	-1.0	-56.52	304.00	5.51	-51.01
CCC1=CN=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804887	0	35	-1.0	-47.30	288.04	2.66	-44.64
COC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=N1	REAL300010804888	0	35	-1.0	-45.23	303.02	2.09	-43.14
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804889	0	47	-1.0	-61.05	359.54	5.09	-55.96
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010804890	0	36	-1.0	-59.60	310.49	4.11	-55.49
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300010804891	0	44	-1.0	-72.74	348.90	5.20	-67.54
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300010804892	0	27	-1.0	-44.86	248.24	2.17	-42.69
CN1N=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804893	0	30	-1.0	-47.15	271.65	1.27	-45.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010804894	0	32	-1.0	-45.07	284.25	2.24	-42.83
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804895	0	35	-1.0	-61.99	290.11	3.76	-58.23
O=C([O-])C1COCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010804896	0	39	-1.0	-51.69	296.73	3.28	-48.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010804897	0	34	-1.0	-46.93	304.46	3.46	-43.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010804898	0	31	-1.0	-42.98	267.81	2.12	-40.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010804899	0	33	-1.0	-65.48	294.97	2.74	-62.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010804900	0	33	-1.0	-52.79	290.63	4.72	-48.07
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804901	0	37	-1.0	-50.38	302.40	2.74	-47.64
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1F	REAL300010804902	0	39	-1.0	-49.39	298.17	4.95	-44.44
COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300010804903	0	38	-1.0	-50.77	302.86	2.95	-47.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010804904	0	39	-1.0	-61.86	317.56	0.28	-61.58
N#CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300010804905	0	31	-1.0	-39.96	290.48	3.94	-36.02
O=C([O-])C1COCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010804906	0	33	-1.0	-51.76	287.59	3.78	-47.98
COC1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1OC	REAL300010804907	0	38	-1.0	-62.39	316.55	3.27	-59.12
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804908	0	33	-1.0	-43.89	310.11	2.58	-41.31
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300010804909	0	43	-1.0	-49.47	329.52	3.48	-45.99
N#CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010804910	0	34	-1.0	-62.25	304.36	5.48	-56.77
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CC2)=N1	REAL300010804911	0	37	-1.0	-50.53	296.17	2.52	-48.01
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804912	0	32	-2.0	-119.33	282.72	3.61	-115.72
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010804913	0	34	-1.0	-51.49	291.45	2.82	-48.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010804914	0	34	-1.0	-47.85	304.59	3.47	-44.38
O=C([O-])C1COCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010804915	0	33	-1.0	-60.42	282.48	2.76	-57.66
CN1N=NC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C21	REAL300010804916	0	35	-1.0	-54.28	295.54	1.55	-52.73
O=C([O-])C1COCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010804917	0	33	-1.0	-51.76	287.59	3.78	-47.98
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010804918	0	30	-2.0	-97.67	286.90	2.77	-94.90
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300010804919	0	36	-1.0	-53.12	294.76	4.56	-48.56
CC1(C)CCCN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300010804920	0	41	-1.0	-48.29	302.42	3.63	-44.66
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010804921	0	36	-1.0	-45.70	321.66	4.23	-41.47
O=C([O-])C1COCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010804922	0	33	-1.0	-50.17	278.34	3.11	-47.06
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCC2)=N1	REAL300010804923	0	40	-1.0	-55.79	323.60	3.44	-52.35
O=C([O-])C1COCCN1S(=O)(=O)NCCC1=CC=CC=C1	REAL300010804924	0	38	-1.0	-46.99	315.03	3.47	-43.52
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804925	0	48	-1.0	-59.08	370.94	7.34	-51.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010804926	0	36	-1.0	-49.77	317.95	4.86	-44.91
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300010804927	0	27	-1.0	-48.32	260.12	2.85	-45.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010804928	0	40	-1.0	-56.16	326.32	3.84	-52.32
O=C([O-])C1COCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010804929	0	34	-1.0	-52.35	290.93	4.10	-48.25
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010804930	0	41	-1.0	-53.59	344.94	5.87	-47.72
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804931	0	43	-1.0	-59.18	341.64	1.71	-57.47
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010804932	0	39	-1.0	-67.54	317.05	4.87	-62.67
CCCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804933	0	39	-1.0	-51.86	314.51	5.28	-46.58
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804934	0	36	-1.0	-54.38	305.86	1.50	-52.88
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804935	0	31	-1.0	-47.23	265.05	3.03	-44.20
CN1N=C2CCCC2=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804936	0	37	-1.0	-49.10	294.84	2.24	-46.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010804937	0	34	-1.0	-43.14	306.53	4.38	-38.76
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C=C1	REAL300010804938	0	42	-1.0	-49.43	350.77	5.94	-43.49
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804939	0	39	-1.0	-50.47	298.75	3.01	-47.46
CC(C)(C)N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300010804940	0	39	-1.0	-55.63	316.85	2.90	-52.73
O=C([O-])C1COCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010804941	0	37	-1.0	-48.52	302.75	2.29	-46.23
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010804942	0	35	-1.0	-43.92	303.22	3.10	-40.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010804943	0	33	-1.0	-42.33	294.09	4.01	-38.32
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010804944	0	33	-1.0	-52.69	280.20	4.05	-48.64
O=C([O-])C1COCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010804945	0	30	-1.0	-50.33	274.65	3.23	-47.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010804946	0	30	-1.0	-42.83	283.54	3.38	-39.45
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300010804947	0	35	-1.0	-44.05	277.20	2.25	-41.80
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804948	0	40	-1.0	-54.84	334.41	2.25	-52.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010804949	0	27	-1.0	-44.61	256.23	1.97	-42.64
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010804950	0	33	-1.0	-44.01	300.52	4.34	-39.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010804951	0	33	-1.0	-49.98	273.20	4.10	-45.88
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804952	0	41	-1.0	-65.23	334.61	5.09	-60.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010804953	0	41	-1.0	-55.04	322.30	6.17	-48.87
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300010804954	0	40	-1.0	-64.58	330.28	4.73	-59.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010804955	0	36	-1.0	-49.25	315.84	4.12	-45.13
O=C([O-])C1COCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010804956	0	36	-1.0	-52.02	294.80	3.80	-48.22
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804957	0	35	-1.0	-53.27	306.51	3.63	-49.64
O=C([O-])C1COCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010804958	0	37	-1.0	-51.54	305.79	1.54	-50.00
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010804959	0	30	-1.0	-47.18	276.30	3.79	-43.39
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010804960	0	30	-1.0	-51.18	272.99	3.12	-48.06
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010804961	0	37	-1.0	-52.36	299.24	5.13	-47.23
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=CS1	REAL300010804962	0	31	-1.0	-54.35	279.54	1.91	-52.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010804963	0	33	-1.0	-49.69	284.17	4.37	-45.32
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804964	0	36	-1.0	-45.97	316.77	3.61	-42.36
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010804965	0	37	-1.0	-48.88	303.71	5.14	-43.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010804966	0	40	-1.0	-49.98	315.04	3.64	-46.34
CCC(C)N1N=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804967	0	39	-1.0	-49.24	305.64	2.82	-46.42
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804968	0	39	-1.0	-63.58	323.72	0.77	-62.81
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804969	0	33	-1.0	-60.61	305.51	-0.28	-60.89
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300010804970	0	39	-1.0	-63.58	323.72	0.77	-62.81
O=C([O-])C1COCCN1S(=O)(=O)C=CC1=CC=CS1	REAL300010804971	0	31	-1.0	-48.52	276.56	3.45	-45.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010804972	0	33	-1.0	-53.87	277.16	4.27	-49.60
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804973	0	42	-1.0	-64.91	341.17	6.73	-58.18
CN(C1CCCCCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804974	0	44	-1.0	-49.45	316.27	3.98	-45.47
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010804975	0	30	-1.0	-42.50	275.41	2.45	-40.05
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804976	0	34	-1.0	-51.00	288.76	3.07	-47.93
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010804977	0	44	-1.0	-48.76	337.66	1.58	-47.18
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804978	0	36	-1.0	-51.44	303.35	4.60	-46.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010804979	0	34	-1.0	-52.99	289.28	2.63	-50.36
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010804980	0	45	-1.0	-49.79	347.73	5.89	-43.90
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300010804981	0	31	-1.0	-48.35	275.60	1.72	-46.63
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C12	REAL300010804982	0	41	-1.0	-58.54	311.76	5.42	-53.12
O=C([O-])C1COCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010804983	0	38	-1.0	-47.61	307.72	3.34	-44.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300010804984	0	33	-1.0	-53.80	285.01	1.90	-51.90
CCOCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804985	0	40	-1.0	-54.67	326.98	3.74	-50.93
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300010804986	0	39	-1.0	-52.44	332.44	4.96	-47.48
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804987	0	40	-1.0	-52.06	326.78	4.18	-47.88
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010804988	0	43	-1.0	-54.27	338.73	4.12	-50.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010804989	0	41	-1.0	-50.91	341.82	6.08	-44.83
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300010804990	0	33	-1.0	-55.33	270.87	3.95	-51.38
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300010804991	0	42	-1.0	-54.45	340.02	5.67	-48.78
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(C)=C1Br	REAL300010804992	0	36	-1.0	-46.54	307.02	4.81	-41.73
O=C([O-])C1COCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010804993	0	35	-1.0	-53.52	315.39	4.92	-48.60
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010804994	0	29	-1.0	-49.34	274.25	1.37	-47.97
N#CC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1F	REAL300010804995	0	31	-1.0	-44.85	274.84	3.40	-41.45
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010804996	0	34	-1.0	-45.57	293.26	2.72	-42.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010804997	0	30	-2.0	-102.92	260.40	1.77	-101.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010804997	1	31	-1.0	-53.57	258.52	1.31	-52.26
O=C([O-])C1COCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010804998	0	36	-1.0	-51.17	330.14	4.38	-46.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010804999	0	29	-1.0	-41.32	267.73	1.70	-39.62
N#CC1(OCCS(=O)(=O)N2CCOCC2C(=O)[O-])CCOCC1	REAL300010805000	0	42	-1.0	-48.38	338.38	0.96	-47.42
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300010805710	0	36	-1.0	-59.17	298.05	4.72	-54.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010805711	0	36	-1.0	-61.65	319.65	5.53	-56.12
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805712	0	41	-1.0	-56.71	321.34	5.85	-50.86
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805713	0	44	-1.0	-52.52	343.97	5.33	-47.19
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805714	0	37	-1.0	-50.34	324.81	6.47	-43.87
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805715	0	36	-1.0	-64.30	311.65	3.87	-60.43
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805716	0	37	-1.0	-59.32	309.52	6.12	-53.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010805717	0	34	-1.0	-64.24	311.99	5.21	-59.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010805718	0	29	-1.0	-55.72	283.07	6.09	-49.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010805719	0	31	-1.0	-77.98	275.44	6.35	-71.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010805720	0	26	-1.0	-44.24	257.45	2.92	-41.32
N#CC1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCCCC1	REAL300010805721	0	39	-1.0	-44.61	308.03	5.12	-39.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010805722	0	31	-1.0	-41.88	280.79	4.83	-37.05
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805723	0	33	-1.0	-47.85	303.39	4.07	-43.78
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300010805724	0	39	-1.0	-46.99	336.13	5.12	-41.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010805725	0	42	-1.0	-56.05	364.61	5.32	-50.73
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300010805726	0	36	-1.0	-52.10	314.00	1.79	-50.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010805727	0	41	-1.0	-51.42	336.83	5.62	-45.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010805728	0	29	-1.0	-47.78	261.69	4.78	-43.00
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Cl)=N1	REAL300010805729	0	31	-1.0	-46.37	275.60	3.14	-43.23
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805730	0	34	-1.0	-47.62	302.10	4.50	-43.12
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010805731	0	36	-1.0	-61.52	318.10	6.22	-55.30
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805732	0	33	-1.0	-60.70	312.63	6.15	-54.55
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805733	0	31	-1.0	-52.18	288.49	4.44	-47.74
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805734	0	39	-1.0	-51.56	336.29	0.79	-50.77
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010805735	0	32	-1.0	-55.63	298.29	2.64	-52.99
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010805736	0	38	-1.0	-56.77	328.50	5.12	-51.65
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010805737	0	44	-1.0	-58.14	371.18	5.12	-53.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010805738	0	28	-1.0	-53.49	278.61	4.46	-49.03
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805739	0	47	0.0	-58.09	361.75	5.14	-52.95
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805740	0	35	-1.0	-65.72	307.49	6.26	-59.46
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805741	0	32	-1.0	-56.29	284.66	5.98	-50.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010805742	0	33	-1.0	-73.94	289.96	4.40	-69.54
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010805743	0	29	-1.0	-42.96	276.95	4.75	-38.21
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805744	0	37	-1.0	-69.11	309.30	5.32	-63.79
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300010805745	0	56	-1.0	-44.83	432.78	8.50	-36.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010805746	0	38	-1.0	-61.57	317.66	6.31	-55.26
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805747	0	43	-1.0	-68.53	374.45	5.78	-62.75
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805748	0	30	-1.0	-60.51	285.30	5.20	-55.31
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010805749	0	32	-1.0	-43.98	297.06	3.16	-40.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010805750	0	44	-1.0	-77.85	363.61	5.76	-72.09
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010805751	0	35	-1.0	-59.41	324.64	7.57	-51.84
COC(=O)CCCCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805752	0	40	-1.0	-49.44	336.82	5.08	-44.36
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CN=C21	REAL300010805753	0	34	-1.0	-52.64	296.96	3.19	-49.45
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805754	0	32	-1.0	-57.02	323.05	5.16	-51.86
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805755	0	37	-1.0	-61.00	322.47	3.21	-57.79
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010805757	0	32	-1.0	-42.77	308.31	5.68	-37.09
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805758	0	40	-1.0	-75.75	338.11	3.51	-72.24
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805759	0	34	-1.0	-55.40	309.93	6.08	-49.32
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805760	0	35	-1.0	-49.62	316.14	4.99	-44.63
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805761	0	39	-1.0	-55.19	348.36	3.98	-51.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010805762	0	40	-1.0	-63.64	356.33	6.50	-57.14
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805763	0	39	-1.0	-62.73	331.77	5.63	-57.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010805764	0	44	-1.0	-64.43	365.33	5.77	-58.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010805765	0	32	-1.0	-44.61	291.05	2.99	-41.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010805766	0	40	-1.0	-49.47	334.16	5.57	-43.90
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010805767	0	37	-1.0	-72.57	310.81	6.21	-66.36
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300010805768	0	37	-1.0	-60.30	331.06	4.46	-55.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010805769	0	32	-1.0	-57.82	286.74	5.09	-52.73
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010805770	0	32	-1.0	-42.09	294.39	5.13	-36.96
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805771	0	32	-1.0	-49.47	295.23	5.43	-44.04
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805772	0	33	-1.0	-53.00	284.72	4.98	-48.02
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805773	0	36	-1.0	-61.70	331.72	4.32	-57.38
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805774	0	40	-1.0	-86.99	342.27	4.33	-82.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010805775	0	41	-1.0	-68.43	352.28	4.28	-64.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010805776	0	35	-1.0	-57.93	335.80	3.12	-54.81
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010805777	0	37	-1.0	-57.00	326.85	5.98	-51.02
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805778	0	39	-1.0	-55.19	348.36	3.98	-51.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010805779	0	32	-1.0	-43.48	299.35	5.51	-37.97
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300010805780	0	39	-1.0	-50.37	336.04	4.77	-45.60
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=CS1	REAL300010805781	0	35	-1.0	-65.93	311.41	5.61	-60.32
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010805782	0	33	-1.0	-56.37	293.15	4.05	-52.32
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805783	0	40	-1.0	-64.11	336.11	4.83	-59.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805784	0	43	-1.0	-65.89	361.41	5.97	-59.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010805785	0	43	-1.0	-66.03	366.95	8.02	-58.01
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805786	0	37	-1.0	-69.33	331.83	6.85	-62.48
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010805787	0	29	-1.0	-56.39	295.18	5.71	-50.68
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805788	0	41	0.0	-89.79	333.70	6.90	-82.89
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010805789	0	44	-1.0	-50.16	376.23	6.84	-43.32
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805790	0	41	-1.0	-57.45	341.27	6.27	-51.18
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010805791	0	29	-1.0	-41.28	284.36	5.09	-36.19
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805792	0	29	-1.0	-42.39	278.18	4.28	-38.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010805793	0	35	-1.0	-60.17	301.93	5.41	-54.76
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805794	0	33	-1.0	-46.52	285.11	3.43	-43.09
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010805795	0	37	-1.0	-46.63	303.51	6.97	-39.66
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010805796	0	35	-1.0	-61.45	316.33	6.77	-54.68
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010805797	0	39	-1.0	-44.17	333.98	6.79	-37.38
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805798	0	32	-1.0	-46.36	291.58	5.34	-41.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010805799	0	34	-1.0	-56.68	293.74	4.41	-52.27
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805800	0	35	-1.0	-63.57	307.48	6.25	-57.32
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805801	0	37	-1.0	-53.78	311.55	5.98	-47.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010805802	0	29	-1.0	-44.26	279.36	5.07	-39.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010805803	0	31	-1.0	-48.02	296.93	6.45	-41.57
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010805804	0	39	-1.0	-44.17	333.98	6.79	-37.38
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010805805	0	28	-1.0	-52.19	275.18	3.37	-48.82
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010805806	0	29	-1.0	-56.94	293.56	5.76	-51.18
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010805807	0	40	-1.0	-51.53	349.20	3.90	-47.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010805808	0	29	-1.0	-57.93	276.37	5.38	-52.55
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805809	0	39	-1.0	-62.57	312.87	6.56	-56.01
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805810	0	35	-1.0	-61.49	316.74	5.37	-56.12
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805811	0	33	-1.0	-62.41	297.91	5.01	-57.40
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010805812	0	30	-1.0	-61.78	284.86	3.48	-58.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010805813	0	42	-1.0	-62.79	343.72	8.35	-54.44
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=NO1	REAL300010805814	0	40	-1.0	-67.75	338.88	5.55	-62.20
O=C([O-])[C@H]1CCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010805815	0	46	-1.0	-48.79	341.60	10.16	-38.63
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010805816	0	43	-1.0	-53.36	343.82	6.08	-47.28
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805817	0	34	-1.0	-57.25	307.31	3.56	-53.69
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805818	0	30	-1.0	-57.74	297.92	5.58	-52.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010805819	0	31	-1.0	-53.12	305.16	5.84	-47.28
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805820	0	36	-1.0	-51.15	310.09	4.52	-46.63
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805821	0	35	-1.0	-56.11	334.52	5.59	-50.52
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805822	0	37	-1.0	-60.15	323.16	4.00	-56.15
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010805823	0	33	-1.0	-59.74	302.90	4.33	-55.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010805824	0	32	-1.0	-52.92	301.75	5.74	-47.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C	REAL300010805825	0	40	-1.0	-62.71	348.79	1.77	-60.94
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2S1	REAL300010805826	0	41	-1.0	-47.10	367.11	7.20	-39.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010805827	0	35	-1.0	-73.99	318.08	4.36	-69.63
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300010805828	0	34	-1.0	-54.80	309.48	-0.24	-55.04
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805829	0	35	-1.0	-44.75	310.34	4.79	-39.96
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805830	0	37	-1.0	-68.30	327.52	6.08	-62.22
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010805831	0	33	-1.0	-45.98	290.07	3.77	-42.21
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OCO2	REAL300010805832	0	35	-1.0	-57.91	289.37	4.03	-53.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010805833	0	35	-1.0	-58.19	323.24	6.03	-52.16
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805834	0	35	-1.0	-55.13	301.63	6.18	-48.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010805835	0	29	-1.0	-42.59	275.42	4.91	-37.68
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805836	0	35	-1.0	-45.66	281.16	5.53	-40.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010805837	0	29	-1.0	-58.22	283.91	5.42	-52.80
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300010805838	0	39	-1.0	-63.66	331.86	1.73	-61.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010805839	0	31	-1.0	-44.03	303.70	5.42	-38.61
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010805840	0	31	-1.0	-53.88	299.64	5.67	-48.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010805841	0	29	-1.0	-54.76	286.02	6.00	-48.76
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010805842	0	30	-1.0	-50.21	280.09	2.61	-47.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010805843	0	29	-1.0	-64.35	279.63	5.23	-59.12
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010805844	0	39	-1.0	-58.78	339.50	5.39	-53.39
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010805845	0	29	-1.0	-42.55	277.35	4.98	-37.57
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010805846	0	32	-1.0	-64.60	297.50	6.06	-58.54
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805847	0	32	-1.0	-63.70	302.41	2.18	-61.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])S1	REAL300010805847	1	31	-2.0	-103.48	296.95	1.37	-102.11
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010805848	0	32	-1.0	-64.54	302.06	6.16	-58.38
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805849	0	33	-1.0	-49.67	303.83	1.44	-48.23
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805850	0	38	-1.0	-59.78	318.47	6.74	-53.04
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805851	0	37	-1.0	-66.84	319.69	2.68	-64.16
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805852	0	33	-1.0	-49.35	308.39	1.55	-47.80
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=C2O1	REAL300010805853	0	40	-1.0	-53.07	329.46	5.40	-47.67
N#CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010805854	0	33	-1.0	-53.71	314.09	5.86	-47.85
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805855	0	38	-1.0	-43.97	314.48	2.81	-41.16
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805856	0	36	-1.0	-52.22	322.93	4.80	-47.42
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805857	0	30	-1.0	-69.68	286.42	5.17	-64.51
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805858	0	30	-1.0	-65.93	288.01	5.28	-60.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805859	0	35	-1.0	-45.40	301.86	5.73	-39.67
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805860	0	46	-1.0	-61.75	394.20	4.40	-57.35
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010805861	0	35	-1.0	-56.92	306.82	5.38	-51.54
COCCOCCOCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805862	0	43	-1.0	-53.75	361.49	1.55	-52.20
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805863	0	39	-1.0	-69.92	341.93	2.02	-67.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010805864	0	29	-1.0	-58.85	279.77	5.53	-53.32
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2CC1	REAL300010805865	0	46	-1.0	-63.82	369.20	6.57	-57.25
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010805866	0	38	-1.0	-55.56	342.37	6.14	-49.42
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300010805867	0	39	-1.0	-48.24	346.77	5.97	-42.27
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805868	0	38	-1.0	-62.56	328.92	7.01	-55.55
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805869	0	38	-1.0	-61.87	324.79	6.72	-55.15
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805870	0	39	-1.0	-66.96	337.22	3.84	-63.12
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805871	0	43	-1.0	-59.79	370.20	4.83	-54.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010805872	0	29	-1.0	-61.22	275.76	5.15	-56.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010805873	0	42	-1.0	-65.78	357.79	6.38	-59.40
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010805874	0	38	-1.0	-57.45	348.13	6.60	-50.85
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010805875	0	31	-1.0	-55.66	303.56	6.47	-49.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010805876	0	38	-1.0	-55.38	314.39	1.40	-53.98
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805877	0	37	-1.0	-62.18	321.65	6.11	-56.07
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1OC	REAL300010805878	0	40	-1.0	-56.80	348.12	4.00	-52.80
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010805879	0	41	-1.0	-60.72	351.64	6.74	-53.98
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805880	0	43	-1.0	-67.19	364.10	2.36	-64.83
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805881	0	40	-1.0	-66.99	336.31	4.21	-62.78
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805882	0	42	-1.0	-66.41	357.73	6.07	-60.34
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010805883	0	41	-1.0	-57.98	350.11	6.79	-51.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010805884	0	32	-1.0	-61.83	287.77	5.80	-56.03
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805885	0	41	-1.0	-53.63	351.39	6.51	-47.12
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805886	0	35	-1.0	-45.79	319.16	6.17	-39.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010805887	0	32	-1.0	-48.83	294.74	5.96	-42.87
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805888	0	45	-1.0	-45.47	353.53	5.61	-39.86
CC1=C(CCS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC=N1	REAL300010805889	0	34	-1.0	-48.08	302.18	3.48	-44.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010805890	0	35	-1.0	-45.60	315.00	6.24	-39.36
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805891	0	38	-1.0	-64.16	335.62	6.20	-57.96
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010805892	0	39	-1.0	-65.35	331.66	8.09	-57.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805893	0	43	-1.0	-60.33	374.48	2.78	-57.55
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010805894	0	32	-1.0	-64.00	297.48	6.11	-57.89
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN1C	REAL300010805895	0	41	-1.0	-45.90	355.10	5.30	-40.60
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010805896	0	35	-1.0	-68.45	327.95	2.61	-65.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010805897	0	33	-1.0	-48.26	297.26	5.39	-42.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010805898	0	32	-1.0	-58.29	289.50	5.92	-52.37
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805899	0	31	-1.0	-44.79	275.10	3.32	-41.47
CC1=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300010805900	0	32	-1.0	-57.96	291.49	4.04	-53.92
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010805901	0	30	-1.0	-57.16	280.84	3.54	-53.62
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805902	0	42	-1.0	-70.07	345.04	5.00	-65.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010805903	0	32	-2.0	-118.67	297.92	4.26	-114.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010805903	1	33	-1.0	-56.67	301.38	3.41	-53.26
CCOC(=O)CC1(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300010805904	0	38	-1.0	-72.19	319.15	6.02	-66.17
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010805905	0	46	-1.0	-58.38	398.02	4.63	-53.75
N#CC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010805906	0	30	-1.0	-56.26	299.49	5.53	-50.73
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805907	0	40	-1.0	-64.61	351.06	4.03	-60.58
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010805908	0	44	-1.0	-58.23	370.35	7.50	-50.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805909	0	41	-1.0	-62.59	359.00	4.21	-58.38
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805910	0	40	-1.0	-48.25	373.39	4.88	-43.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010805911	0	34	-1.0	-63.06	303.85	1.89	-61.17
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCCC1	REAL300010805912	0	41	-1.0	-49.69	324.46	5.91	-43.78
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010805913	0	28	-1.0	-52.25	288.75	3.86	-48.39
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805914	0	36	-1.0	-49.50	324.41	4.38	-45.12
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010805915	0	35	-1.0	-56.05	311.88	6.19	-49.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010805916	0	40	-1.0	-56.80	360.72	8.35	-48.45
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805917	0	38	-1.0	-53.53	329.53	5.59	-47.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010805918	0	31	-1.0	-54.07	286.02	3.77	-50.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010805919	0	35	-1.0	-50.45	315.55	6.21	-44.24
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCC1	REAL300010805920	0	38	-1.0	-68.87	317.65	5.42	-63.45
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010805921	0	29	-1.0	-41.99	285.63	4.38	-37.61
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805922	0	33	-1.0	-61.32	305.54	5.85	-55.47
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1I	REAL300010805923	0	32	-1.0	-57.72	302.78	6.32	-51.40
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805924	0	42	-1.0	-58.97	362.43	4.53	-54.44
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805925	0	45	-1.0	-51.28	384.29	5.45	-45.83
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCCCC1	REAL300010805926	0	44	-1.0	-67.16	334.57	7.16	-60.00
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CN=C1C	REAL300010805927	0	37	-1.0	-55.82	323.70	4.03	-51.79
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010805928	0	33	-1.0	-63.63	304.90	4.43	-59.20
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805929	0	38	-1.0	-45.57	345.97	6.24	-39.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010805930	0	45	-1.0	-70.10	389.15	6.84	-63.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010805931	0	31	-1.0	-41.14	293.71	3.54	-37.60
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010805932	0	42	-1.0	-48.52	310.39	6.23	-42.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010805933	0	38	-1.0	-59.14	322.28	6.26	-52.88
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010805934	0	30	-1.0	-43.19	288.79	3.56	-39.63
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010805935	0	35	-1.0	-65.12	312.94	6.69	-58.43
CN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010805936	0	32	-1.0	-69.38	300.73	3.31	-66.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010805937	0	31	-1.0	-48.03	292.51	6.37	-41.66
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010805938	0	38	-1.0	-60.86	329.77	5.82	-55.04
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010805939	0	37	-1.0	-52.80	328.96	5.54	-47.26
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010805940	0	38	-1.0	-60.27	309.18	6.04	-54.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010805941	0	39	-1.0	-49.44	332.30	5.00	-44.44
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010805942	0	56	-1.0	-60.48	414.68	10.64	-49.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010805943	0	34	-1.0	-65.93	307.48	6.10	-59.83
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805944	0	41	-1.0	-64.49	355.44	7.35	-57.14
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805945	0	34	-1.0	-57.13	292.47	3.97	-53.16
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805946	0	36	-1.0	-47.94	321.17	4.48	-43.46
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300010805947	0	41	-1.0	-61.01	341.34	6.39	-54.62
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010805948	0	37	-1.0	-60.34	317.95	5.66	-54.68
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010805949	0	32	-1.0	-48.68	289.18	4.66	-44.02
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010805950	0	32	-1.0	-63.12	312.07	6.68	-56.44
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805951	0	43	-1.0	-52.65	379.54	2.55	-50.10
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805951	1	42	-2.0	-111.82	368.88	2.61	-109.21
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010805952	0	32	-1.0	-43.43	303.76	5.61	-37.82
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805953	0	38	-1.0	-69.51	341.47	3.06	-66.45
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300010805954	0	38	-1.0	-61.95	324.74	7.62	-54.33
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805955	0	38	-1.0	-58.00	332.22	6.43	-51.57
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010805956	0	44	-1.0	-64.36	376.90	5.54	-58.82
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805957	0	42	-1.0	-63.21	351.28	5.35	-57.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010805958	0	32	-1.0	-63.97	299.56	6.02	-57.95
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010805959	0	35	-1.0	-66.90	303.85	6.87	-60.03
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300010805960	0	47	-1.0	-43.76	342.86	8.19	-35.57
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C12	REAL300010805961	0	48	-1.0	-52.91	394.11	4.84	-48.07
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010805962	0	36	-1.0	-62.19	313.35	4.45	-57.74
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010805963	0	31	-1.0	-54.59	300.71	4.08	-50.51
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805964	0	37	-1.0	-62.21	326.70	4.37	-57.84
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010805965	0	37	-1.0	-52.19	323.90	2.64	-49.55
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805966	0	34	-1.0	-62.95	311.62	-0.36	-63.31
CC(C)(CCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300010805967	0	40	-1.0	-69.57	330.25	1.94	-67.63
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010805968	0	33	-1.0	-56.41	302.95	4.54	-51.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010805969	0	32	-1.0	-48.10	290.96	1.76	-46.34
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805970	0	42	-1.0	-69.05	355.01	6.13	-62.92
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010805971	0	38	-1.0	-62.29	322.70	7.87	-54.42
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010805972	0	33	-1.0	-56.95	297.42	4.82	-52.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010805973	0	33	-1.0	-56.96	307.76	5.28	-51.68
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1F	REAL300010805974	0	38	-1.0	-62.70	339.85	6.17	-56.53
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805975	0	42	-1.0	-49.97	343.96	5.95	-44.02
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805976	0	33	-1.0	-62.75	287.57	4.56	-58.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010805977	0	32	-1.0	-59.58	315.63	6.60	-52.98
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010805978	0	32	-1.0	-47.73	310.18	6.01	-41.72
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010805979	0	32	-1.0	-49.07	292.19	3.26	-45.81
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010805980	0	37	-1.0	-56.54	319.83	6.53	-50.01
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805981	0	45	-1.0	-65.32	357.41	6.81	-58.51
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C21	REAL300010805982	0	36	-1.0	-50.55	327.96	6.56	-43.99
N#CCC1=CC=C(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300010805983	0	36	-1.0	-66.88	321.01	6.93	-59.95
COC1=NC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010805984	0	32	-1.0	-55.31	300.70	1.91	-53.40
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010805985	0	38	-1.0	-44.53	332.20	5.72	-38.81
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805986	0	38	-1.0	-51.37	346.42	5.81	-45.56
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010805987	0	32	-1.0	-62.34	297.47	6.08	-56.26
CC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010805988	0	32	-1.0	-57.01	292.90	5.78	-51.23
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010805989	0	35	-1.0	-64.79	300.79	5.14	-59.65
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300010805990	0	38	-1.0	-60.02	341.54	6.46	-53.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1F	REAL300010805991	0	35	-1.0	-45.44	325.28	5.25	-40.19
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300010805992	0	38	-1.0	-54.73	334.29	5.54	-49.19
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300010805993	0	35	-1.0	-63.50	313.20	6.70	-56.80
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010805994	0	42	-1.0	-47.49	331.69	4.29	-43.20
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010805995	0	44	-1.0	-51.98	367.38	1.88	-50.10
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010805996	0	37	-1.0	-67.61	304.34	5.84	-61.77
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010805997	0	36	-1.0	-66.04	322.53	2.55	-63.49
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010805998	0	29	-1.0	-57.46	280.02	5.25	-52.21
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])SC(Br)=C1	REAL300010805999	0	29	-1.0	-57.24	287.41	5.21	-52.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010806000	0	38	-1.0	-60.93	315.20	5.18	-55.75
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300010806999	0	39	-1.0	-49.90	319.45	4.38	-45.52
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010807000	0	39	-1.0	-50.61	340.63	5.06	-45.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010807050	0	35	-1.0	-44.07	331.73	6.03	-38.04
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807051	0	43	-1.0	-61.89	356.36	3.56	-58.33
COC1=C(F)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010807052	0	38	-1.0	-44.42	339.80	5.35	-39.07
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010807053	0	42	-1.0	-49.89	368.62	3.92	-45.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010807054	0	43	-1.0	-53.57	376.99	6.44	-47.13
COC1=CC=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807055	0	42	-1.0	-52.11	353.38	5.42	-46.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010807056	0	35	-1.0	-50.92	315.34	3.40	-47.52
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010807057	0	43	-1.0	-53.04	360.21	5.94	-47.10
CC1=CC=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300010807058	0	40	-1.0	-54.75	330.41	6.10	-48.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010807059	0	35	-1.0	-53.16	312.26	5.54	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010807060	0	35	-1.0	-51.11	317.27	5.51	-45.60
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807061	0	35	-1.0	-47.90	318.97	5.80	-42.10
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807062	0	36	-1.0	-55.59	305.91	5.27	-50.32
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807063	0	43	-1.0	-69.27	361.00	4.63	-64.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010807064	0	44	-1.0	-63.87	367.92	3.99	-59.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010807065	0	40	-1.0	-48.76	348.49	5.86	-42.90
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010807066	0	42	-1.0	-49.89	368.62	3.92	-45.97
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807067	0	40	-1.0	-49.02	330.60	5.04	-43.98
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010807068	0	35	-1.0	-52.56	324.98	5.91	-46.65
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(OC)=C1	REAL300010807069	0	42	-1.0	-53.74	355.39	5.11	-48.63
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=CS1	REAL300010807070	0	38	-1.0	-50.57	328.02	5.54	-45.03
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300010807071	0	36	-1.0	-46.19	313.80	3.99	-42.20
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807072	0	43	-1.0	-52.26	359.07	4.84	-47.42
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807073	0	46	-1.0	-50.41	386.90	5.75	-44.66
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807074	0	41	-1.0	-52.04	323.18	6.18	-45.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010807075	0	46	-1.0	-48.57	388.16	8.01	-40.56
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807076	0	40	-1.0	-56.73	352.75	7.06	-49.67
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807077	0	44	0.0	-72.16	354.63	6.43	-65.73
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807078	0	40	-1.0	-49.63	328.77	4.94	-44.69
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300010807079	0	47	-1.0	-49.62	400.94	7.24	-42.38
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300010807080	0	35	-1.0	-49.74	314.11	5.21	-44.53
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807081	0	44	-1.0	-47.85	364.86	6.64	-41.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010807082	0	32	-1.0	-49.46	305.78	5.43	-44.03
CC1=C(Cl)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807083	0	32	-1.0	-49.09	305.74	4.80	-44.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010807084	0	38	-1.0	-50.03	324.29	5.11	-44.92
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010807085	0	36	-1.0	-53.16	308.00	3.83	-49.33
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010807086	0	40	-1.0	-55.59	331.65	7.80	-47.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010807087	0	38	-1.0	-48.38	337.25	6.30	-42.08
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010807088	0	42	-1.0	-46.98	358.12	7.09	-39.89
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807089	0	35	-1.0	-45.53	311.75	5.73	-39.80
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010807090	0	37	-1.0	-52.97	317.45	4.89	-48.08
CC1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010807091	0	38	-1.0	-54.56	329.56	6.02	-48.54
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010807092	0	40	-1.0	-50.69	328.06	6.21	-44.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010807093	0	32	-1.0	-45.91	302.27	5.49	-40.42
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010807094	0	42	-1.0	-46.98	358.12	7.09	-39.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010807095	0	31	-1.0	-44.74	295.00	3.23	-41.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010807096	0	32	-1.0	-43.80	314.22	5.69	-38.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010807097	0	43	-1.0	-48.46	375.63	4.40	-44.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010807098	0	32	-1.0	-49.82	297.83	4.97	-44.85
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807099	0	42	-1.0	-49.82	336.78	6.17	-43.65
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010807100	0	35	-1.0	-46.73	303.45	1.21	-45.52
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C#N	REAL300010807101	0	36	-1.0	-46.37	318.05	5.50	-40.87
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807102	0	38	-1.0	-47.53	337.40	5.30	-42.23
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807103	0	36	-1.0	-49.04	318.97	5.00	-44.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010807104	0	33	-1.0	-46.30	305.59	3.39	-42.91
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010807105	0	45	-1.0	-51.99	367.37	7.92	-44.07
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NO1	REAL300010807106	0	43	-1.0	-51.70	360.50	5.35	-46.35
CC1(C(=O)[O-])CCN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010807107	0	49	-1.0	-49.19	367.35	10.35	-38.84
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300010807108	0	46	-1.0	-48.71	366.71	6.50	-42.21
COC1=CC=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807109	0	39	-1.0	-47.08	317.73	4.36	-42.72
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807110	0	37	-1.0	-53.08	326.73	3.42	-49.66
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(Br)=C2)C1	REAL300010807111	0	33	-1.0	-44.96	318.58	5.51	-39.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010807112	0	34	-1.0	-44.23	325.53	5.97	-38.26
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010807113	0	39	-1.0	-48.64	330.25	4.91	-43.73
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807114	0	38	-1.0	-46.07	351.47	5.47	-40.60
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010807115	0	39	-1.0	-49.18	325.60	4.24	-44.94
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300010807116	0	40	-1.0	-48.63	342.41	4.09	-44.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010807117	0	36	-1.0	-47.64	323.56	4.26	-43.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010807118	0	35	-1.0	-46.50	322.41	5.67	-40.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010807119	0	43	-1.0	-52.27	370.45	1.57	-50.70
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2S1	REAL300010807120	0	44	-1.0	-50.72	393.21	7.66	-43.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(CC#N)=C2)C1	REAL300010807121	0	36	-1.0	-52.07	320.32	5.78	-46.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010807122	0	38	-1.0	-60.81	327.61	4.21	-56.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)N=C2)C1	REAL300010807123	0	37	-1.0	-56.14	333.04	0.13	-56.01
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010807124	0	38	-1.0	-52.36	333.24	5.19	-47.17
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807125	0	40	-1.0	-54.07	347.86	6.20	-47.87
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300010807126	0	36	-1.0	-51.74	315.37	4.29	-47.45
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)OCO2	REAL300010807127	0	38	-1.0	-47.12	308.50	3.64	-43.48
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807128	0	38	-1.0	-54.40	326.46	5.72	-48.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010807129	0	32	-1.0	-50.05	300.06	5.39	-44.66
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807130	0	38	-1.0	-45.38	308.85	6.03	-39.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010807131	0	32	-1.0	-45.10	304.16	5.56	-39.54
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)OCC(=O)N2	REAL300010807132	0	42	-1.0	-52.14	351.36	1.66	-50.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010807133	0	34	-1.0	-48.11	322.89	5.68	-42.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)S2)C1	REAL300010807134	0	30	-1.0	-46.46	291.10	4.15	-42.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010807135	0	34	-1.0	-43.26	319.15	5.53	-37.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010807136	0	32	-1.0	-43.96	304.88	5.87	-38.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010807137	0	33	-1.0	-50.59	298.75	3.00	-47.59
COC1=CN=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807138	0	35	-1.0	-51.03	301.35	2.04	-48.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010807139	0	32	-1.0	-46.83	300.66	5.15	-41.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1OC	REAL300010807140	0	42	-1.0	-48.96	360.16	5.32	-43.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010807141	0	32	-1.0	-49.95	302.63	5.50	-44.45
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010807142	0	35	-1.0	-51.23	319.55	5.82	-45.41
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807143	0	35	-1.0	-58.81	321.90	2.09	-56.72
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807143	1	34	-2.0	-92.44	318.62	0.96	-91.48
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010807144	0	35	-1.0	-51.24	324.12	5.92	-45.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C(N)=O)=C2)C1	REAL300010807145	0	36	-1.0	-50.20	327.52	1.81	-48.39
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807146	0	41	-1.0	-62.60	343.57	7.18	-55.42
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807147	0	40	-1.0	-56.29	339.39	2.86	-53.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC(C(N)=O)=C2)C1	REAL300010807148	0	36	-1.0	-50.06	332.08	1.92	-48.14
CCOC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807149	0	39	-1.0	-50.17	329.44	4.84	-45.33
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300010807150	0	43	-1.0	-54.49	354.11	5.83	-48.66
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C#N)=C2)C1	REAL300010807151	0	36	-1.0	-48.83	334.75	5.80	-43.03
COCCN(CCC#N)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807152	0	41	-1.0	-52.01	343.68	3.12	-48.89
CC1=CC=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807153	0	41	-1.0	-50.89	345.75	6.78	-44.11
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807154	0	39	-1.0	-51.99	349.12	5.18	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCOC(C#N)C2)C1	REAL300010807155	0	36	-1.0	-50.89	309.41	1.81	-49.08
CCN(CC(C)C#N)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807156	0	40	-1.0	-47.22	328.60	4.32	-42.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300010807157	0	35	-1.0	-49.85	302.34	3.25	-46.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2C#N)C1	REAL300010807158	0	33	-1.0	-58.70	308.13	5.16	-53.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2C#N)C1	REAL300010807159	0	33	-1.0	-46.87	309.10	5.24	-41.63
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807160	0	38	-1.0	-44.04	325.37	6.14	-37.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCC3=O)C1	REAL300010807161	0	38	-1.0	-52.10	332.51	5.86	-46.24
COCCOCCOCCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807162	0	46	-1.0	-53.51	387.06	1.92	-51.59
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807163	0	42	-1.0	-59.58	362.93	2.00	-57.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010807164	0	32	-1.0	-51.02	298.20	5.37	-45.65
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2CC1	REAL300010807165	0	49	-1.0	-57.15	392.27	6.55	-50.60
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010807166	0	41	-1.0	-46.99	363.02	6.08	-40.91
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300010807167	0	42	-1.0	-48.98	368.32	6.20	-42.78
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807168	0	41	-1.0	-46.53	349.26	7.14	-39.39
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807169	0	41	-1.0	-46.51	345.09	6.85	-39.66
CN(C(=O)N1CCC(C)(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300010807170	0	39	-1.0	-57.49	307.83	2.93	-54.56
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807171	0	42	-1.0	-56.41	358.85	3.62	-52.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010807172	0	32	-1.0	-46.11	296.80	5.06	-41.05
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010807173	0	45	-1.0	-53.77	379.84	6.15	-47.62
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010807174	0	41	-1.0	-45.55	367.59	6.46	-39.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010807175	0	34	-1.0	-50.95	323.33	6.35	-44.60
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010807176	0	41	-1.0	-58.57	340.22	1.76	-56.81
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807177	0	40	-1.0	-48.71	342.43	6.11	-42.60
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300010807178	0	43	-1.0	-52.62	369.99	4.35	-48.27
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1C	REAL300010807179	0	44	-1.0	-47.27	371.10	6.60	-40.67
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807180	0	46	-1.0	-58.40	389.63	2.81	-55.59
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807181	0	43	-1.0	-51.01	357.31	4.20	-46.81
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807182	0	45	-1.0	-54.26	378.76	6.07	-48.19
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C	REAL300010807183	0	44	-1.0	-49.04	370.76	6.72	-42.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300010807184	0	35	-1.0	-50.64	309.09	5.75	-44.89
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807185	0	44	-1.0	-51.72	376.90	6.97	-44.75
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807186	0	38	-1.0	-50.62	349.95	6.83	-43.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010807187	0	35	-1.0	-46.74	323.12	6.59	-40.15
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807188	0	48	-1.0	-51.28	379.90	5.95	-45.33
CC1=C(CCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC=N1	REAL300010807189	0	37	-1.0	-54.29	326.11	3.84	-50.45
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010807190	0	38	-1.0	-50.62	341.04	6.60	-44.02
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807191	0	41	-1.0	-50.85	355.08	6.06	-44.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010807192	0	42	-1.0	-53.95	350.97	7.98	-45.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807193	0	46	-1.0	-52.15	395.42	2.31	-49.84
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010807194	0	35	-1.0	-50.34	319.10	5.90	-44.44
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1C	REAL300010807195	0	44	-1.0	-53.03	380.10	5.84	-47.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(S(C)(=O)=O)=C2)C1	REAL300010807196	0	38	-1.0	-52.96	348.59	2.54	-50.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010807197	0	36	-1.0	-54.12	324.50	5.45	-48.67
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010807198	0	35	-1.0	-48.55	308.45	5.39	-43.16
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807199	0	34	-1.0	-45.81	297.31	3.67	-42.14
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(Br)N1C	REAL300010807200	0	35	-1.0	-55.23	316.88	3.99	-51.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010807201	0	33	-1.0	-50.38	300.15	3.42	-46.96
COC(=O)C(C)(C)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807202	0	40	-1.0	-49.33	327.50	4.54	-44.79
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807203	0	45	-1.0	-58.07	372.04	5.47	-52.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010807204	0	35	-2.0	-91.30	318.93	4.25	-87.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010807204	1	36	-1.0	-46.94	324.83	3.33	-43.61
CCOC(=O)CC1(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807205	0	41	-1.0	-56.45	343.28	5.92	-50.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=C(C#N)C=C2F)C1	REAL300010807206	0	33	-1.0	-44.00	320.43	5.45	-38.55
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807207	0	43	-1.0	-53.36	370.81	3.96	-49.40
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010807208	0	47	-1.0	-49.32	391.00	7.44	-41.88
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807209	0	44	-1.0	-55.05	379.93	3.74	-51.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C1	REAL300010807210	0	37	-1.0	-51.16	324.51	1.82	-49.34
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCCC1	REAL300010807211	0	44	-1.0	-60.56	348.13	6.29	-54.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C1	REAL300010807212	0	31	-1.0	-44.49	308.57	3.74	-40.75
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807213	0	39	-1.0	-46.14	348.08	4.75	-41.39
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010807214	0	38	-1.0	-45.08	332.51	6.13	-38.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300010807215	0	43	-1.0	-47.12	382.65	7.91	-39.21
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807216	0	41	-1.0	-56.73	353.73	6.00	-50.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300010807217	0	34	-1.0	-58.12	304.75	4.24	-53.88
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300010807218	0	42	-1.0	-50.80	328.25	5.99	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300010807219	0	38	-1.0	-52.09	340.49	6.53	-45.56
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCC1	REAL300010807220	0	41	-1.0	-49.40	339.56	4.94	-44.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300010807221	0	32	-1.0	-43.57	309.86	4.74	-38.83
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2C#N)C1	REAL300010807222	0	36	-1.0	-51.75	327.69	5.60	-46.15
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807223	0	45	-1.0	-48.76	386.13	4.88	-43.88
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807224	0	48	-1.0	-48.48	407.99	5.80	-42.68
COC(=O)C1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCCCC1	REAL300010807225	0	47	-1.0	-59.66	358.09	6.71	-52.95
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1C	REAL300010807226	0	40	-1.0	-49.18	343.01	3.92	-45.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010807227	0	36	-1.0	-46.27	325.86	4.35	-41.92
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807228	0	41	-1.0	-46.33	369.65	6.61	-39.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C(F)=C2)C1	REAL300010807229	0	33	-1.0	-45.59	304.79	5.05	-40.54
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCOCC2)C1	REAL300010807230	0	42	-1.0	-52.16	336.24	3.88	-48.28
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010807231	0	48	-1.0	-58.08	411.72	6.49	-51.59
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807232	0	35	-1.0	-46.78	305.50	5.14	-41.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010807233	0	34	-1.0	-46.99	318.81	4.10	-42.89
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010807234	0	45	-1.0	-50.17	336.04	6.65	-43.52
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010807235	0	41	-1.0	-51.52	341.59	6.17	-45.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010807236	0	33	-1.0	-55.65	307.89	3.94	-51.71
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010807237	0	38	-1.0	-52.88	336.55	6.27	-46.61
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010807238	0	35	-1.0	-54.63	307.46	3.13	-51.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010807239	0	34	-1.0	-47.56	319.17	6.88	-40.68
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1C	REAL300010807240	0	41	-1.0	-46.88	350.76	5.74	-41.14
CC1=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010807241	0	40	-1.0	-49.48	354.56	6.01	-43.47
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010807242	0	41	-1.0	-52.03	329.72	5.75	-46.28
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010807243	0	42	-1.0	-50.69	357.87	5.37	-45.32
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(C)C)=C1	REAL300010807244	0	59	-1.0	-46.99	434.76	10.49	-36.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010807245	0	37	-1.0	-51.35	327.05	5.99	-45.36
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807246	0	44	-1.0	-53.47	379.05	6.93	-46.54
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807247	0	37	-1.0	-52.36	319.47	4.55	-47.81
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807248	0	39	-1.0	-46.80	344.84	4.84	-41.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300010807249	0	39	-1.0	-47.99	326.47	6.65	-41.34
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)CCC2=C1	REAL300010807250	0	44	-1.0	-49.52	362.97	6.28	-43.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010807251	0	40	-1.0	-48.00	339.11	5.57	-42.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010807252	0	35	-1.0	-46.61	314.76	5.08	-41.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010807253	0	35	-1.0	-48.75	331.95	6.54	-42.21
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010807254	0	35	-1.0	-52.46	329.39	6.01	-46.45
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300010807255	0	41	-1.0	-57.73	363.55	2.82	-54.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300010807256	0	35	-1.0	-53.01	301.67	4.85	-48.16
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300010807257	0	44	-1.0	-50.36	345.10	6.27	-44.09
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300010807258	0	41	-1.0	-48.60	345.38	7.55	-41.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010807259	0	29	-1.0	-48.14	283.00	4.07	-44.07
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807260	0	41	-1.0	-50.06	353.00	6.13	-43.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010807261	0	47	-1.0	-53.67	397.88	5.07	-48.60
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807262	0	45	-1.0	-50.82	372.73	4.88	-45.94
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010807263	0	35	-1.0	-52.51	321.17	5.82	-46.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010807264	0	38	-1.0	-49.43	324.88	6.79	-42.64
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(CC)=C1	REAL300010807265	0	50	-1.0	-46.50	381.38	9.09	-37.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300010807266	0	37	-1.0	-52.72	312.08	4.37	-48.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010807267	0	39	-1.0	-54.22	334.08	4.37	-49.85
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010807268	0	34	-1.0	-51.42	324.43	4.45	-46.97
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010807269	0	40	-1.0	-50.07	347.66	4.36	-45.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010807270	0	40	-1.0	-48.04	348.39	3.11	-44.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300010807271	0	37	-1.0	-59.28	330.97	-0.48	-59.76
CC(C)(CCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)S(C)(=O)=O	REAL300010807272	0	43	-1.0	-62.74	352.30	1.70	-61.04
COC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300010807273	0	36	-1.0	-45.77	323.61	4.47	-41.30
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C1	REAL300010807274	0	35	-1.0	-50.12	311.94	2.01	-48.11
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807275	0	45	-1.0	-55.63	369.58	5.12	-50.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300010807276	0	37	-1.0	-56.57	310.15	4.48	-52.09
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010807277	0	41	-1.0	-50.72	343.36	7.46	-43.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010807278	0	36	-1.0	-49.43	316.87	4.78	-44.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010807279	0	36	-1.0	-49.06	327.21	5.23	-43.83
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807280	0	41	-1.0	-51.59	360.97	6.08	-45.51
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807281	0	45	-1.0	-52.33	368.36	5.99	-46.34
COC(CC(C)C)CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807282	0	44	-1.0	-50.00	349.29	4.35	-45.65
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807283	0	36	-1.0	-49.57	308.64	4.54	-45.03
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010807284	0	35	-1.0	-49.09	337.61	6.37	-42.72
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC2CCOC2)C1	REAL300010807285	0	42	-1.0	-51.86	339.41	3.89	-47.97
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010807286	0	35	-1.0	-49.70	336.21	6.39	-43.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010807287	0	35	-1.0	-44.30	317.67	3.71	-40.59
CCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010807288	0	40	-1.0	-52.78	340.49	6.46	-46.32
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807289	0	48	-1.0	-50.13	378.42	6.81	-43.32
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(CC#N)C=C2)C1	REAL300010807290	0	39	-1.0	-56.73	344.61	6.52	-50.21
COC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010807291	0	35	-1.0	-45.87	320.50	1.78	-44.09
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010807292	0	41	-1.0	-51.96	355.10	6.12	-45.84
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807293	0	41	-1.0	-49.22	369.76	6.17	-43.05
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010807294	0	35	-1.0	-50.93	319.11	5.86	-45.07
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300010807295	0	35	-1.0	-46.31	314.05	5.70	-40.61
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010807296	0	38	-1.0	-52.51	326.70	5.58	-46.93
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300010807297	0	41	-1.0	-48.42	363.48	6.02	-42.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300010807298	0	38	-1.0	-55.77	348.12	5.64	-50.13
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807299	0	41	-1.0	-54.49	353.55	5.80	-48.69
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807300	0	39	-1.0	-48.38	327.63	4.74	-43.64
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807301	0	38	-1.0	-51.38	334.75	6.51	-44.87
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC2CCOCC2)C1	REAL300010807302	0	45	-1.0	-51.68	357.73	4.64	-47.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010807303	0	47	-1.0	-48.15	393.68	2.37	-45.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010807304	0	40	-1.0	-51.33	325.48	5.83	-45.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010807305	0	39	-1.0	-54.92	342.35	2.42	-52.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010807306	0	32	-1.0	-43.98	300.68	5.18	-38.80
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC(Br)=C1	REAL300010807307	0	32	-1.0	-44.21	305.56	5.04	-39.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010807308	0	41	-1.0	-51.98	335.85	4.94	-47.04
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807309	0	42	-1.0	-49.70	346.35	3.44	-46.26
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010807310	0	38	-1.0	-48.28	330.11	6.17	-42.11
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010807311	0	38	-1.0	-53.28	329.91	6.12	-47.16
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010807312	0	38	-1.0	-52.30	336.96	6.46	-45.84
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807313	0	36	-1.0	-47.03	327.69	5.09	-41.94
COC1=CC2=C(C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C(=O)NCCC2	REAL300010807314	0	47	-1.0	-56.88	378.23	3.56	-53.32
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)S2)C1	REAL300010807315	0	43	-1.0	-54.16	369.38	5.06	-49.10
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010807316	0	39	-1.0	-49.10	354.33	7.07	-42.03
COC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807317	0	41	-1.0	-51.02	327.97	2.76	-48.26
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CCOC1	REAL300010807318	0	43	-1.0	-49.96	344.42	2.34	-47.62
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010807319	0	35	-1.0	-50.08	325.88	5.96	-44.12
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010807320	0	35	-1.0	-50.45	322.65	5.83	-44.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010807321	0	32	-1.0	-47.44	314.78	5.69	-41.75
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807322	0	39	-1.0	-59.29	332.19	1.96	-57.33
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807323	0	57	-1.0	-47.02	456.61	9.45	-37.57
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807324	0	47	-1.0	-49.76	386.13	6.87	-42.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010807325	0	32	-1.0	-43.86	305.09	5.28	-38.58
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807326	0	38	-1.0	-47.53	337.40	5.30	-42.23
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010807327	0	46	-1.0	-48.50	386.29	7.67	-40.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010807328	0	46	-1.0	-47.73	395.56	7.97	-39.76
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010807329	0	31	-1.0	-51.18	288.78	3.34	-47.84
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2)=N1	REAL300010807330	0	44	-1.0	-47.47	361.50	4.12	-43.35
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010807331	0	42	-1.0	-52.23	360.41	5.74	-46.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300010807332	0	44	-1.0	-51.31	363.08	6.04	-45.27
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N(C)N=C1	REAL300010807333	0	38	-1.0	-55.13	325.94	3.66	-51.47
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300010807334	0	40	-1.0	-48.38	359.08	3.46	-44.92
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300010807335	0	44	-1.0	-50.47	363.38	7.15	-43.32
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010807336	0	43	-1.0	-52.59	362.80	3.70	-48.89
CCOC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CC1	REAL300010807337	0	42	-1.0	-48.70	342.10	4.94	-43.76
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300010807338	0	38	-1.0	-55.75	337.79	5.19	-50.56
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C(Cl)C=C21	REAL300010807339	0	43	-1.0	-54.56	364.38	5.95	-48.61
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807340	0	45	-1.0	-47.56	368.13	6.28	-41.28
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CCCC1	REAL300010807341	0	45	-1.0	-51.00	351.94	4.99	-46.01
COC(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300010807342	0	48	-1.0	-51.59	374.04	5.45	-46.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010807343	0	35	-1.0	-48.06	317.05	4.06	-44.00
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300010807344	0	51	-1.0	-46.47	409.54	7.66	-38.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010807345	0	35	-1.0	-54.51	326.42	4.35	-50.16
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807346	0	36	-1.0	-51.41	307.11	4.52	-46.89
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010807347	0	40	-1.0	-50.94	337.08	6.62	-44.32
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807348	0	39	-1.0	-48.91	323.36	4.46	-44.45
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010807349	0	45	-1.0	-46.61	377.54	6.87	-39.74
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300010807350	0	38	-1.0	-46.27	336.03	3.99	-42.28
CCC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300010807351	0	45	-1.0	-54.63	370.88	6.37	-48.26
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C1	REAL300010807352	0	43	-1.0	-57.08	361.03	5.05	-52.03
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807353	0	35	-1.0	-47.44	317.32	3.24	-44.20
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010807354	0	43	-1.0	-46.64	378.68	8.71	-37.93
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807355	0	35	-1.0	-45.75	311.75	5.72	-40.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010807356	0	42	-1.0	-54.40	336.47	7.66	-46.74
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807357	0	38	-1.0	-50.39	341.05	6.54	-43.85
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807358	0	39	-1.0	-53.39	347.72	5.24	-48.15
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010807359	0	38	-1.0	-52.45	334.94	6.14	-46.31
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1F	REAL300010807360	0	35	-1.0	-47.46	306.62	5.24	-42.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010807361	0	31	-1.0	-46.15	295.05	3.09	-43.06
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807362	0	41	-1.0	-48.35	341.30	3.62	-44.73
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010807363	0	38	-1.0	-53.03	331.13	2.99	-50.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)C1	REAL300010807364	0	39	-1.0	-46.78	353.62	3.91	-42.87
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)OC=C1	REAL300010807365	0	35	-1.0	-52.80	312.53	3.55	-49.25
CCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300010807366	0	45	-1.0	-46.09	359.39	5.85	-40.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010807367	0	38	-1.0	-45.48	347.47	6.40	-39.08
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807368	0	40	-1.0	-51.19	349.07	5.61	-45.58
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N1	REAL300010807369	0	34	-1.0	-60.30	303.85	3.57	-56.73
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807370	0	35	-1.0	-45.46	320.89	6.13	-39.33
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010807371	0	41	-1.0	-51.79	329.24	7.71	-44.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010807372	0	39	-1.0	-47.54	337.53	4.31	-43.23
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CC#N)C1	REAL300010807373	0	36	-1.0	-53.18	311.43	5.93	-47.25
CC1=CC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C2NC1=O	REAL300010807374	0	41	-1.0	-51.51	350.08	4.37	-47.14
CN1N=NC2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010807375	0	37	-1.0	-49.22	321.94	3.08	-46.14
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010807376	0	41	-1.0	-55.56	360.23	5.94	-49.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010807377	0	32	-1.0	-54.06	277.00	1.56	-52.50
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010807378	0	37	-1.0	-43.95	326.90	5.84	-38.11
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010807379	0	38	-1.0	-50.46	330.69	5.76	-44.70
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010807380	0	44	0.0	-80.93	346.10	5.54	-75.39
C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807381	0	49	0.0	-75.32	379.72	3.67	-71.65
CN1CCN(CCCS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807381	1	48	-1.0	-51.30	376.36	1.34	-49.96
CN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Br	REAL300010807382	0	32	-1.0	-49.56	294.09	2.50	-47.06
CN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1I	REAL300010807383	0	32	-1.0	-48.75	297.93	2.86	-45.89
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807384	0	36	-1.0	-51.19	307.65	5.62	-45.57
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010807385	0	41	-1.0	-46.84	345.43	3.08	-43.76
CCCCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=N1	REAL300010807386	0	44	-1.0	-49.44	359.52	5.15	-44.29
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(OC)C=C1F	REAL300010807387	0	42	-1.0	-50.39	359.88	5.11	-45.28
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807388	0	42	-1.0	-56.62	352.62	5.59	-51.03
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807389	0	36	-1.0	-50.79	310.03	4.66	-46.13
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300010807390	0	48	-1.0	-46.74	388.05	6.86	-39.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807391	0	44	-1.0	-47.82	356.31	6.87	-40.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C#N)=C2)C1	REAL300010807392	0	33	-1.0	-46.58	303.51	4.98	-41.60
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010807393	0	35	-1.0	-49.44	322.71	5.82	-43.62
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010807394	0	51	-1.0	-51.08	404.23	9.15	-41.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC=C23)C1	REAL300010807395	0	36	-1.0	-53.49	309.52	4.50	-48.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010807396	0	29	-1.0	-52.55	276.72	2.49	-50.06
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010807397	0	40	-1.0	-53.43	347.69	5.44	-47.99
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010807398	0	31	-1.0	-46.51	297.57	3.57	-42.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010807399	0	31	-1.0	-46.20	290.45	3.02	-43.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010807400	0	31	-1.0	-46.34	279.99	2.53	-43.81
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807401	0	35	-1.0	-46.76	321.56	2.46	-44.30
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010807402	0	37	-1.0	-51.34	333.58	5.47	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010807403	0	34	-1.0	-45.06	317.83	4.50	-40.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010807404	0	42	-1.0	-52.16	363.86	5.35	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N=S2(=O)CCCC2)C1	REAL300010807405	0	36	-1.0	-61.13	307.78	1.74	-59.39
CC1(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1(Cl)Cl	REAL300010807406	0	35	-1.0	-49.52	316.61	5.34	-44.18
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010807407	0	31	-1.0	-51.55	307.34	2.95	-48.60
CCS(=O)(CC)=NS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807408	0	38	-1.0	-69.72	321.32	2.17	-67.55
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010807409	0	34	-1.0	-50.39	312.62	5.84	-44.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010807410	0	40	-1.0	-57.72	327.53	3.85	-53.87
CCN1CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1=O	REAL300010807411	0	39	-1.0	-49.74	322.96	3.20	-46.54
CCOC(=O)C1(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CCC1	REAL300010807412	0	41	-1.0	-55.80	335.65	5.51	-50.29
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)C2)C1	REAL300010807413	0	43	-1.0	-58.64	363.98	1.24	-57.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010807414	0	33	-1.0	-48.50	323.78	3.71	-44.79
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807415	0	41	-1.0	-53.69	357.19	6.01	-47.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010807416	0	35	-1.0	-50.24	327.42	5.52	-44.72
CN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010807417	0	35	-1.0	-46.69	300.11	2.84	-43.85
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807418	0	42	-1.0	-46.84	337.24	4.59	-42.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2Br)C1	REAL300010807419	0	29	-1.0	-48.60	280.23	3.92	-44.68
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010807420	0	44	-1.0	-48.07	350.49	5.02	-43.05
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010807421	0	42	-1.0	-47.85	345.99	4.97	-42.88
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807422	0	35	-1.0	-47.66	308.12	3.33	-44.33
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=N1	REAL300010807423	0	32	-1.0	-49.18	295.97	2.54	-46.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010807424	0	34	-1.0	-49.84	313.53	3.71	-46.13
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807425	0	39	-1.0	-53.22	337.40	4.74	-48.48
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010807426	0	46	-1.0	-51.42	384.99	5.77	-45.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010807427	0	32	-2.0	-92.55	286.60	3.31	-89.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010807427	1	33	-1.0	-47.23	292.52	2.40	-44.83
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807428	0	42	-1.0	-47.41	353.47	7.30	-40.11
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807429	0	35	-1.0	-60.86	307.77	2.23	-58.63
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807430	0	35	-1.0	-45.40	320.89	6.13	-39.27
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807431	0	38	-1.0	-51.79	316.33	3.37	-48.42
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807432	0	37	-1.0	-49.89	323.87	5.10	-44.79
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807433	0	41	-1.0	-64.36	342.11	2.63	-61.73
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300010807434	0	54	-1.0	-47.23	431.55	8.43	-38.80
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C#N)=C1	REAL300010807435	0	36	-1.0	-61.20	307.69	5.23	-55.97
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807436	0	36	-1.0	-55.17	301.30	5.58	-49.59
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010807437	0	35	-1.0	-45.27	317.28	5.57	-39.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=C(C=C2Cl)CCCC(=O)N3)C1	REAL300010807438	0	43	-1.0	-50.38	360.54	5.05	-45.33
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010807439	0	36	-1.0	-48.34	327.68	6.29	-42.05
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010807440	0	54	-1.0	-47.43	422.10	8.33	-39.10
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1CC	REAL300010807441	0	48	-1.0	-47.30	392.63	7.13	-40.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CCC#N)C=C2)C1	REAL300010807442	0	39	-1.0	-52.31	340.02	6.48	-45.83
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807443	0	38	-1.0	-45.33	319.19	6.47	-38.86
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807444	0	46	-1.0	-61.88	371.40	4.19	-57.69
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010807445	0	35	-1.0	-53.02	333.84	6.36	-46.66
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010807446	0	35	-1.0	-53.94	324.71	5.95	-47.99
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010807447	0	42	-1.0	-57.34	361.20	6.52	-50.82
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807448	0	38	-1.0	-50.41	338.48	6.58	-43.83
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807449	0	34	-1.0	-50.81	302.13	3.73	-47.08
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1F	REAL300010807450	0	36	-1.0	-56.62	325.71	4.81	-51.81
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807451	0	42	-1.0	-51.81	353.50	6.91	-44.90
CC(C)(CCS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C1CC1	REAL300010807452	0	44	-1.0	-50.28	343.36	6.02	-44.26
CCOC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N(C)N=C1	REAL300010807453	0	41	-1.0	-55.11	347.81	4.59	-50.52
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010807454	0	36	-1.0	-50.35	324.73	6.23	-44.12
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300010807455	0	41	-1.0	-52.41	345.83	6.87	-45.54
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010807456	0	37	-1.0	-55.05	312.27	1.53	-53.52
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010807457	0	36	-1.0	-54.25	312.61	0.04	-54.21
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807458	0	41	-1.0	-53.01	331.57	7.21	-45.80
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010807459	0	44	-1.0	-50.49	383.76	6.26	-44.23
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807460	0	45	-1.0	-52.20	380.97	5.48	-46.72
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010807461	0	41	-1.0	-52.65	341.22	5.31	-47.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010807462	0	32	-1.0	-52.57	294.90	4.60	-47.97
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807463	0	37	-1.0	-53.05	330.84	3.33	-49.72
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010807464	0	38	-1.0	-51.13	330.72	6.16	-44.97
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807465	0	48	-1.0	-51.35	392.57	7.37	-43.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010807466	0	37	-1.0	-53.62	306.68	4.69	-48.93
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010807467	0	52	-1.0	-54.66	403.53	7.02	-47.64
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807468	0	39	-1.0	-48.99	339.70	4.81	-44.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)SC=C2)C1	REAL300010807469	0	30	-1.0	-54.56	280.40	3.72	-50.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)CC(C)(C)C3=C2)C1	REAL300010807470	0	46	-1.0	-49.05	373.64	4.69	-44.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010807471	0	47	-1.0	-58.21	389.28	7.25	-50.96
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010807472	0	46	-1.0	-57.83	378.91	6.55	-51.28
COC1=NC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807473	0	35	-1.0	-49.22	299.99	1.87	-47.35
CCC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300010807474	0	43	-1.0	-50.53	334.08	5.03	-45.50
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010807475	0	39	-2.0	-100.38	326.15	4.30	-96.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300010807476	0	39	-1.0	-50.46	328.48	4.30	-46.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300010807477	0	39	-1.0	-46.30	325.76	4.48	-41.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010807478	0	42	-1.0	-47.37	343.04	5.15	-42.22
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010807479	0	44	-1.0	-48.92	361.97	7.09	-41.83
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807480	0	45	-1.0	-54.71	376.22	5.97	-48.74
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807481	0	42	-1.0	-60.26	351.14	5.54	-54.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300010807482	0	43	-1.0	-50.12	353.12	2.63	-47.49
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010807483	0	38	-1.0	-50.77	343.79	5.50	-45.27
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010807484	0	38	-1.0	-49.93	328.81	1.84	-48.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010807485	0	29	-1.0	-47.27	280.37	3.13	-44.14
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300010807486	0	39	-1.0	-52.68	318.28	4.70	-47.98
COC1=C(F)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807487	0	36	-1.0	-45.43	323.96	4.16	-41.27
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1F	REAL300010807488	0	36	-1.0	-47.15	314.17	3.86	-43.29
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300010807489	0	57	-1.0	-46.32	452.54	9.22	-37.10
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010807490	0	48	-1.0	-45.72	372.63	6.22	-39.50
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807491	0	42	-1.0	-48.97	345.35	5.98	-42.99
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300010807492	0	55	-1.0	-48.38	443.52	7.08	-41.30
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807493	0	35	-1.0	-45.45	297.71	5.19	-40.26
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2O1	REAL300010807494	0	40	-1.0	-56.99	330.82	5.23	-51.76
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807495	0	40	-1.0	-47.37	347.25	4.28	-43.09
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3(C#N)CC3)C=C2)C1	REAL300010807496	0	40	-1.0	-50.31	344.52	6.73	-43.58
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807497	0	36	-1.0	-48.96	315.10	5.14	-43.82
CC1=C(Br)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)S1	REAL300010807498	0	35	-1.0	-47.88	318.60	5.92	-41.96
CC1=CC(Cl)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Br)=C1	REAL300010807499	0	35	-1.0	-47.59	326.44	6.72	-40.87
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=N1	REAL300010807500	0	37	-1.0	-52.33	329.02	3.46	-48.87
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010807501	0	49	-1.0	-57.52	387.53	6.68	-50.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010807502	0	38	-1.0	-49.99	331.76	5.26	-44.73
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C21	REAL300010807503	0	46	-1.0	-51.70	375.72	6.08	-45.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2Cl)C1	REAL300010807504	0	29	-1.0	-52.41	275.23	3.75	-48.66
CN1N=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807505	0	32	-1.0	-46.07	297.84	2.66	-43.41
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010807506	0	34	-1.0	-48.58	310.92	3.76	-44.82
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807507	0	37	-1.0	-59.24	317.94	4.16	-55.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300010807508	0	41	-1.0	-48.08	322.98	4.53	-43.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300010807509	0	36	-1.0	-49.36	329.79	5.05	-44.31
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300010807510	0	33	-1.0	-44.31	292.97	3.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010807511	0	35	-1.0	-55.03	321.85	4.24	-50.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010807512	0	35	-1.0	-49.76	316.94	6.05	-43.71
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807513	0	39	-1.0	-46.34	328.75	4.23	-42.11
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300010807514	0	41	-1.0	-50.39	328.28	6.68	-43.71
COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300010807515	0	40	-1.0	-52.50	333.03	4.44	-48.06
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010807516	0	41	-1.0	-53.35	347.36	1.79	-51.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)C(C#N)=C2)C1	REAL300010807517	0	33	-1.0	-44.94	318.60	5.51	-39.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300010807518	0	35	-1.0	-49.99	302.87	4.70	-45.29
COC1=CC=C(F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300010807519	0	40	-1.0	-54.99	338.30	4.87	-50.12
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807520	0	35	-1.0	-44.92	337.22	3.99	-40.93
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010807521	0	45	-1.0	-49.20	358.41	5.16	-44.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)SC3=CC=CC=C32)C1	REAL300010807522	0	36	-1.0	-48.17	329.44	6.54	-41.63
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300010807523	0	39	-1.0	-48.82	320.90	4.07	-44.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2F)C1	REAL300010807524	0	34	-2.0	-103.55	306.89	5.04	-98.51
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010807525	0	36	-1.0	-50.84	315.51	4.10	-46.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C32)C1	REAL300010807526	0	36	-1.0	-56.17	329.73	5.00	-51.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010807527	0	35	-1.0	-55.17	306.21	3.78	-51.39
CN1N=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C21	REAL300010807528	0	37	-1.0	-56.06	320.32	3.11	-52.95
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300010807529	0	35	-1.0	-49.99	302.87	4.70	-45.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010807530	0	32	-2.0	-99.21	311.36	4.25	-94.96
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1Br	REAL300010807531	0	38	-1.0	-47.36	323.58	6.22	-41.14
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300010807532	0	43	-1.0	-46.20	326.72	4.86	-41.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010807533	0	38	-1.0	-47.03	347.27	5.71	-41.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010807534	0	35	-1.0	-48.02	306.03	4.76	-43.26
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010807535	0	42	-1.0	-49.31	341.84	4.69	-44.62
CC1(C(=O)[O-])CCN(S(=O)(=O)NCCC2=CC=CC=C2)C1	REAL300010807536	0	40	-1.0	-48.67	339.65	4.59	-44.08
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807537	0	50	-1.0	-46.55	384.75	8.15	-38.40
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010807538	0	38	-1.0	-52.19	347.99	6.44	-45.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300010807539	0	29	-1.0	-50.88	275.99	3.88	-47.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010807540	0	42	-1.0	-51.65	353.01	5.23	-46.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010807541	0	36	-1.0	-49.88	313.50	5.54	-44.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010807542	0	43	-1.0	-46.08	368.13	7.35	-38.73
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807543	0	45	-1.0	-56.14	366.07	2.92	-53.22
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010807544	0	41	-1.0	-58.79	341.71	5.73	-53.06
CCCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807545	0	41	-1.0	-47.57	342.48	6.82	-40.75
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807546	0	38	-1.0	-48.77	332.45	2.89	-45.88
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2C#N)C1	REAL300010807547	0	33	-1.0	-47.31	294.21	4.68	-42.63
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807548	0	39	-1.0	-47.79	324.11	4.09	-43.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010807549	0	36	-1.0	-46.07	335.02	5.94	-40.13
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300010807550	0	44	-1.0	-48.88	378.76	7.54	-41.34
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807551	0	41	-1.0	-47.41	326.86	4.34	-43.07
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010807552	0	41	-1.0	-51.09	343.55	4.31	-46.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300010807553	0	39	-1.0	-49.00	319.52	3.42	-45.58
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010807554	0	37	-1.0	-45.42	329.51	4.42	-41.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010807555	0	35	-1.0	-44.43	321.41	5.59	-38.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300010807556	0	35	-1.0	-48.05	304.25	5.34	-42.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010807557	0	32	-1.0	-53.41	301.26	4.95	-48.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010807558	0	32	-1.0	-43.93	309.83	4.73	-39.20
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300010807559	0	37	-1.0	-45.38	308.44	3.89	-41.49
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807560	0	42	-1.0	-51.92	358.47	3.54	-48.38
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010807561	0	29	-1.0	-50.72	281.14	3.30	-47.42
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010807562	0	35	-1.0	-45.86	329.99	6.03	-39.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010807563	0	35	-1.0	-59.83	299.94	5.92	-53.91
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807564	0	43	-1.0	-56.99	362.67	6.65	-50.34
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010807565	0	43	-1.0	-49.11	344.10	7.51	-41.60
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010807566	0	42	-1.0	-57.00	358.32	6.30	-50.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010807567	0	38	-1.0	-47.71	341.02	5.63	-42.08
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300010807568	0	38	-1.0	-46.75	320.03	5.04	-41.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2OC(F)F)C1	REAL300010807569	0	37	-1.0	-50.46	331.21	5.12	-45.34
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010807570	0	39	-1.0	-55.45	331.67	2.97	-52.48
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807571	0	42	-1.0	-47.07	372.46	5.29	-41.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010807572	0	32	-1.0	-45.15	306.16	5.55	-39.60
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010807573	0	32	-1.0	-54.74	299.71	4.82	-49.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300010807574	0	39	-1.0	-51.74	326.00	6.67	-45.07
COC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=CS1	REAL300010807575	0	33	-1.0	-52.88	296.08	3.09	-49.79
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010807576	0	35	-1.0	-47.12	312.78	6.14	-40.98
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807577	0	38	-1.0	-49.75	342.94	4.93	-44.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010807578	0	39	-1.0	-51.79	327.06	6.58	-45.21
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010807579	0	42	-1.0	-48.32	341.71	5.19	-43.13
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807580	0	41	-1.0	-46.85	337.93	4.37	-42.48
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807581	0	41	-1.0	-52.28	347.48	2.04	-50.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CS2)C1	REAL300010807582	0	35	-1.0	-52.57	332.25	1.12	-51.45
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807583	0	41	-1.0	-52.28	347.48	2.04	-50.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CS2)C1	REAL300010807584	0	33	-1.0	-49.76	302.89	4.92	-44.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010807585	0	35	-1.0	-52.95	300.28	5.73	-47.22
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807586	0	44	-1.0	-57.73	363.54	8.34	-49.39
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807587	0	46	-1.0	-48.55	346.72	5.51	-43.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010807588	0	32	-1.0	-51.11	300.61	3.80	-47.31
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807589	0	36	-1.0	-47.40	313.39	4.56	-42.84
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010807590	0	46	-1.0	-49.33	365.00	3.30	-46.03
CC(F)(F)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1	REAL300010807591	0	38	-1.0	-52.86	329.98	6.09	-46.77
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010807592	0	36	-1.0	-48.99	317.86	4.18	-44.81
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010807593	0	47	-1.0	-48.96	374.21	7.20	-41.76
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807594	0	33	-1.0	-47.12	302.37	3.05	-44.07
CC1=CC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010807595	0	43	-1.0	-54.32	344.86	6.73	-47.59
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010807596	0	40	-1.0	-49.41	334.75	4.66	-44.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300010807597	0	35	-1.0	-50.80	308.94	3.24	-47.56
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807598	0	42	-1.0	-48.95	355.01	5.30	-43.65
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807599	0	41	-1.0	-53.19	360.79	6.75	-46.44
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807600	0	42	-1.0	-49.20	355.52	5.74	-43.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010807601	0	45	-1.0	-49.70	364.98	5.57	-44.13
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010807602	0	43	-1.0	-48.31	367.76	7.41	-40.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300010807603	0	35	-1.0	-53.46	292.78	5.17	-48.29
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807604	0	44	-1.0	-56.42	361.97	6.74	-49.68
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC(C)=C1Br	REAL300010807605	0	38	-1.0	-46.38	336.28	6.34	-40.04
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010807606	0	37	-1.0	-50.37	340.84	6.15	-44.22
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010807607	0	31	-1.0	-52.02	303.09	2.85	-49.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C#N)=C2F)C1	REAL300010807608	0	33	-1.0	-49.37	300.32	4.90	-44.47
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010807609	0	36	-1.0	-54.47	317.57	4.11	-50.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010807610	0	32	-2.0	-92.55	286.60	3.31	-89.24
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010807610	1	33	-1.0	-47.23	292.52	2.40	-44.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010807611	0	38	-1.0	-46.01	347.59	5.64	-40.37
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010807612	0	31	-1.0	-44.56	294.89	3.19	-41.37
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1	REAL300010807613	0	44	-1.0	-54.41	363.16	2.32	-52.09
CCN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010807614	0	35	-1.0	-47.38	313.55	3.30	-44.08
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010807615	0	36	-1.0	-50.28	328.75	6.31	-43.97
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC(C)(C(=O)[O-])C1)=C2	REAL300010807616	0	38	-1.0	-47.93	363.68	5.83	-42.10
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010807617	0	32	-1.0	-46.14	306.09	5.44	-40.70
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010807618	0	34	-1.0	-46.19	313.34	3.61	-42.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010807619	0	37	-1.0	-55.79	333.42	5.77	-50.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010807620	0	37	-1.0	-51.88	325.93	5.31	-46.57
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010807621	0	34	-1.0	-46.19	313.34	3.61	-42.58
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010807622	0	41	-1.0	-50.62	331.12	7.18	-43.44
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807623	0	36	-1.0	-54.11	329.10	5.56	-48.55
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010807624	0	39	-1.0	-48.86	334.20	4.89	-43.97
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C21	REAL300010807625	0	46	-1.0	-49.37	382.70	6.09	-43.28
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010807626	0	32	-1.0	-44.75	300.52	5.03	-39.72
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300010807627	0	38	-1.0	-58.57	341.45	0.79	-57.78
CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010807628	0	42	-1.0	-50.82	347.87	5.64	-45.18
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010807629	0	38	-1.0	-51.77	349.76	2.02	-49.75
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010807630	0	36	-1.0	-51.71	315.23	5.82	-45.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010807631	0	36	-1.0	-48.34	332.25	6.38	-41.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010807632	0	36	-1.0	-51.14	330.11	6.38	-44.76
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010807633	0	37	-1.0	-59.49	322.92	-1.52	-61.01
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300010807634	0	35	-1.0	-51.14	302.80	4.95	-46.19
CC1(C(=O)[O-])CCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300010807635	0	38	-1.0	-50.65	308.07	4.96	-45.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010807636	0	34	-1.0	-51.20	309.03	4.03	-47.17
CC1(C(=O)[O-])CCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300010807637	0	40	-1.0	-50.09	333.44	1.82	-48.27
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010807638	0	41	-1.0	-53.12	355.03	3.63	-49.49
CC1(C(=O)[O-])CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010807639	0	49	-1.0	-50.83	356.10	7.48	-43.35
CC1(C)COC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300010807640	0	42	-1.0	-57.52	337.10	3.84	-53.68
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300010807641	0	35	-1.0	-59.69	309.19	0.32	-59.37
CC(C)(CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1)C(C)(F)F	REAL300010807642	0	40	-1.0	-49.45	317.58	5.08	-44.37
CC1(C(=O)[O-])CCN(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300010807643	0	40	-1.0	-61.19	349.10	1.42	-59.77
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300010807644	0	45	-1.0	-47.06	352.05	4.68	-42.38
CCOC(=O)C1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C2C=CC=CN21	REAL300010807645	0	44	-1.0	-59.84	379.10	6.36	-53.48
CC1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300010807646	0	42	-1.0	-50.31	349.60	6.89	-43.42
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010807647	0	36	-1.0	-58.17	327.06	3.63	-54.54
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)=C2C=C1	REAL300010807648	0	41	-1.0	-56.64	360.44	6.49	-50.15
CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010807649	0	42	-1.0	-56.11	358.36	7.45	-48.66
CC1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010807650	0	41	-1.0	-56.84	331.64	2.45	-54.39
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807651	0	41	-1.0	-51.58	349.28	5.42	-46.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010807652	0	45	-1.0	-46.04	343.85	6.54	-39.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010807653	0	36	-1.0	-49.87	320.75	5.92	-43.95
COC(=O)C1CCCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807654	0	43	-1.0	-51.53	338.37	5.24	-46.29
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300010807655	0	54	-1.0	-47.82	407.83	8.80	-39.02
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C#N)C([N+](=O)[O-])=C2)C1	REAL300010807656	0	35	-1.0	-52.95	323.54	5.42	-47.53
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807657	0	43	-1.0	-52.37	353.39	5.63	-46.74
CC1=CC=CC(CNS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807658	0	40	-1.0	-48.55	339.53	4.49	-44.06
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NN1	REAL300010807659	0	38	-1.0	-51.28	336.95	2.39	-48.89
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807659	1	37	-2.0	-94.90	333.43	2.25	-92.65
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=N[N-]1	REAL300010807659	1	37	-2.0	-94.78	333.53	2.25	-92.53
COC1=CSC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1OC	REAL300010807660	0	37	-1.0	-48.99	326.46	3.06	-45.93
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807661	0	35	-1.0	-45.02	333.15	3.89	-41.13
CC1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010807662	0	44	-1.0	-46.57	338.12	5.08	-41.49
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807663	0	43	-1.0	-53.56	352.13	6.29	-47.27
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807664	0	36	-1.0	-48.63	327.26	5.67	-42.96
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300010807665	0	36	-1.0	-50.41	326.33	5.45	-44.96
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300010807666	0	36	-1.0	-48.57	314.27	4.11	-44.46
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010807667	0	36	-1.0	-47.65	323.56	4.26	-43.39
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807668	0	38	-1.0	-49.52	320.72	4.52	-45.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010807669	0	35	-1.0	-47.97	310.92	6.05	-41.92
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010807670	0	41	-1.0	-49.75	355.15	5.01	-44.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010807671	0	29	-1.0	-43.07	303.15	4.72	-38.35
CN1N=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010807672	0	32	-1.0	-49.92	291.71	2.46	-47.46
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807673	0	45	-1.0	-51.25	371.22	7.01	-44.24
CC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010807674	0	49	-1.0	-48.23	396.51	6.51	-41.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010807675	0	35	-1.0	-44.75	334.86	6.03	-38.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010807676	0	37	-1.0	-48.98	327.74	5.16	-43.82
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807677	0	40	-1.0	-54.43	335.59	4.08	-50.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010807678	0	43	-1.0	-47.17	366.77	7.46	-39.71
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807679	0	38	-1.0	-60.96	316.83	6.45	-54.51
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807680	0	35	-1.0	-60.86	307.77	2.23	-58.63
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010807681	0	37	-1.0	-49.44	333.44	3.18	-46.26
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010807682	0	33	-1.0	-48.41	315.57	3.46	-44.95
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807683	0	34	-1.0	-47.65	297.81	3.71	-43.94
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807684	0	43	-1.0	-50.84	361.76	6.24	-44.60
CCN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300010807685	0	42	-1.0	-48.71	342.43	4.93	-43.78
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010807686	0	36	-1.0	-55.98	307.02	3.62	-52.36
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010807687	0	38	-1.0	-46.62	340.72	7.40	-39.22
CC(=O)OC1CCN(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C1	REAL300010807688	0	40	-1.0	-53.19	336.54	3.76	-49.43
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010807689	0	42	-1.0	-47.72	367.20	8.45	-39.27
COC(=O)C1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(Cl)S1	REAL300010807690	0	35	-1.0	-50.29	334.16	5.46	-44.83
CCC1=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300010807691	0	38	-1.0	-45.13	337.13	6.49	-38.64
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807692	0	45	-1.0	-47.89	362.71	5.72	-42.17
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300010807693	0	29	-1.0	-45.15	287.11	4.13	-41.02
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807694	0	46	-1.0	-50.89	378.81	4.98	-45.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010807695	0	38	-1.0	-50.72	331.24	7.20	-43.52
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807696	0	40	-1.0	-48.21	329.97	2.34	-45.87
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300010807697	0	39	-1.0	-52.45	314.66	6.35	-46.10
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300010807698	0	43	-1.0	-50.01	329.86	4.63	-45.38
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(CO)CC2)C1	REAL300010807699	0	41	-1.0	-49.84	328.68	1.08	-48.76
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807700	0	46	-1.0	-58.82	390.01	5.06	-53.76
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010807701	0	47	-1.0	-48.57	380.93	4.95	-43.62
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807702	0	35	-1.0	-46.88	316.99	2.36	-44.52
COC1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010807703	0	38	-1.0	-46.88	325.92	2.02	-44.86
CC(C)CN1C=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=N1	REAL300010807704	0	41	-1.0	-47.74	339.20	4.70	-43.04
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807705	0	41	-1.0	-49.17	336.82	4.17	-45.00
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010807706	0	31	-1.0	-51.42	305.42	2.62	-48.80
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010807707	0	42	-1.0	-53.06	333.64	1.84	-51.22
COCC1=CC(CS(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=NO1	REAL300010807708	0	38	-1.0	-54.22	332.97	2.50	-51.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C#N)C=CS2)C1	REAL300010807709	0	30	-1.0	-47.80	287.56	3.99	-43.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010807710	0	35	-1.0	-54.51	326.42	4.35	-50.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010807711	0	30	-1.0	-50.30	289.77	2.39	-47.91
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807712	0	36	-1.0	-53.78	326.72	2.64	-51.14
CC1=C(C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C(C)S1	REAL300010807713	0	38	-1.0	-48.25	317.36	5.93	-42.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010807714	0	31	-1.0	-51.43	285.11	3.21	-48.22
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807715	0	36	-1.0	-48.95	323.53	5.10	-43.85
COC1=CC=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807716	0	35	-1.0	-49.83	297.87	2.61	-47.22
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010807717	0	34	-1.0	-48.86	314.97	3.66	-45.20
COC1=NC=CC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1Cl	REAL300010807718	0	35	-1.0	-52.75	310.60	1.65	-51.10
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807719	0	41	-1.0	-52.51	362.75	3.58	-48.93
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)S1	REAL300010807719	1	40	-2.0	-94.77	359.46	2.45	-92.32
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807720	0	39	-1.0	-55.02	333.91	2.52	-52.50
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010807721	0	36	-1.0	-48.63	341.45	6.74	-41.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010807722	0	37	-1.0	-50.46	334.34	6.75	-43.71
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010807723	0	31	-1.0	-50.18	298.97	3.47	-46.71
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1	REAL300010807724	0	43	-1.0	-48.02	350.95	5.00	-43.02
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807725	0	38	-1.0	-46.88	319.70	3.73	-43.15
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010807726	0	40	-1.0	-49.89	329.06	5.58	-44.31
COC(=O)C1=NC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300010807727	0	40	-1.0	-47.95	344.86	3.98	-43.97
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C#N)=CC=C2[N+](=O)[O-])C1	REAL300010807728	0	35	-1.0	-54.35	318.62	6.82	-47.53
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300010807729	0	39	-1.0	-48.84	323.75	4.81	-44.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010807730	0	39	-1.0	-52.44	331.35	5.51	-46.93
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010807731	0	34	-1.0	-51.51	308.62	3.63	-47.88
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300010807732	0	37	-1.0	-50.74	312.38	4.93	-45.81
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C(C)C	REAL300010807733	0	41	-1.0	-51.96	336.13	4.24	-47.72
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010807734	0	39	-1.0	-48.67	337.94	6.81	-41.86
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010807735	0	34	-1.0	-50.49	304.11	3.59	-46.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010807736	0	32	-1.0	-45.66	293.00	5.04	-40.62
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=C1NCCC2	REAL300010807737	0	44	-1.0	-48.21	349.46	5.64	-42.57
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300010807738	0	46	-1.0	-48.55	386.83	8.11	-40.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010807739	0	39	-1.0	-50.46	340.09	6.84	-43.62
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2Br)C1	REAL300010807740	0	29	-1.0	-48.60	280.23	3.92	-44.68
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(Cl)=CC=C32)C1	REAL300010807741	0	36	-1.0	-49.37	325.24	4.95	-44.42
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807742	0	34	-1.0	-47.61	302.41	3.79	-43.82
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010807743	0	37	-1.0	-51.83	311.94	4.99	-46.84
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807744	0	41	-1.0	-56.47	340.10	5.83	-50.64
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010807745	0	43	-1.0	-50.03	360.50	8.64	-41.39
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010807746	0	35	-1.0	-52.24	314.25	5.47	-46.77
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010807747	0	31	-1.0	-48.20	293.10	3.37	-44.83
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010807748	0	34	-1.0	-51.51	301.54	3.86	-47.65
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010807749	0	35	-1.0	-47.32	309.96	4.32	-43.00
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807750	0	40	-1.0	-58.42	335.08	0.40	-58.02
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300010807751	0	39	-1.0	-45.23	300.98	2.37	-42.86
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C#N)CC2)C1	REAL300010807752	0	38	-1.0	-52.91	317.32	4.05	-48.86
CC1=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300010807753	0	34	-1.0	-46.15	314.16	3.83	-42.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010807754	0	31	-1.0	-45.18	303.87	3.93	-41.25
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010807755	0	36	-1.0	-53.58	325.98	3.89	-49.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010807756	0	36	-1.0	-51.71	315.23	5.82	-45.89
CC1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010807757	0	36	-1.0	-51.25	325.55	6.27	-44.98
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(P(C)(C)=O)=C2)C1	REAL300010807758	0	41	-1.0	-56.54	358.21	4.19	-52.35
COC1=CC=NC(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807759	0	35	-1.0	-51.28	305.41	1.96	-49.32
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010807760	0	39	-1.0	-55.13	326.51	6.49	-48.64
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010807761	0	35	-1.0	-46.00	318.71	5.97	-40.03
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010807762	0	36	-1.0	-51.80	324.50	4.32	-47.48
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C(C(F)F)=C1	REAL300010807763	0	39	-1.0	-53.21	329.74	5.12	-48.09
CCOC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010807764	0	45	-1.0	-49.37	382.02	6.23	-43.14
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C1	REAL300010807765	0	45	-1.0	-54.22	375.21	7.05	-47.17
COC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)N=C1	REAL300010807766	0	35	-1.0	-51.66	303.96	1.98	-49.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807767	0	38	-1.0	-47.03	339.10	2.83	-44.20
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807768	0	38	-1.0	-48.81	344.86	6.82	-41.99
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807769	0	37	-1.0	-54.29	320.62	4.61	-49.68
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807770	0	38	-1.0	-58.40	324.82	5.75	-52.65
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010807771	0	37	-1.0	-51.45	307.13	4.64	-46.81
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2I)C1	REAL300010807772	0	32	-1.0	-46.24	291.23	5.48	-40.76
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807773	0	38	-1.0	-55.94	322.14	3.67	-52.27
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300010807774	0	43	-1.0	-50.79	374.70	5.63	-45.16
CC1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010807775	0	40	-1.0	-55.63	329.54	6.05	-49.58
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010807776	0	28	-1.0	-47.62	284.19	2.88	-44.74
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(N)=CC(Br)=C2)C1	REAL300010807777	0	34	-1.0	-46.18	312.65	3.02	-43.16
CC1(C(=O)[O-])CCN(C(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010807778	0	39	-1.0	-50.59	307.65	7.17	-43.42
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300010807779	0	34	-1.0	-52.69	302.55	3.93	-48.76
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010807780	0	34	-1.0	-50.93	296.72	3.62	-47.31
CC1=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C(Cl)S1	REAL300010807781	0	32	-1.0	-46.21	296.07	4.77	-41.44
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010807782	0	34	-1.0	-50.31	308.16	3.53	-46.78
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300010807783	0	39	-1.0	-49.67	347.16	5.44	-44.23
CC1(C(=O)[O-])CCN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C1	REAL300010807784	0	49	-1.0	-50.13	338.87	8.87	-41.26
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300010807785	0	45	-1.0	-50.40	359.63	6.56	-43.84
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010807786	0	36	-2.0	-97.89	325.19	4.54	-93.35
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010807786	1	37	-1.0	-52.83	328.38	3.57	-49.26
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010807787	0	40	-1.0	-41.58	354.32	6.15	-35.43
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010807788	0	40	-1.0	-54.51	346.12	6.12	-48.39
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1C	REAL300010807789	0	52	-1.0	-43.74	390.88	8.13	-35.61
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807790	0	46	-1.0	-61.93	372.69	6.87	-55.06
CCOC(=O)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807791	0	49	-1.0	-51.60	408.87	7.04	-44.56
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010807792	0	40	-1.0	-42.07	357.16	6.46	-35.61
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010807793	0	46	-1.0	-60.68	387.47	6.22	-54.46
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010807794	0	52	-1.0	-53.70	408.23	7.80	-45.90
CC(C)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807795	0	49	-1.0	-53.81	392.22	7.40	-46.41
CCC(C)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807796	0	52	-1.0	-53.61	410.67	8.06	-45.55
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])S1	REAL300010807797	0	40	-1.0	-42.96	344.59	5.31	-37.65
CC(=O)NCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807798	0	50	-1.0	-57.15	414.22	4.49	-52.66
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010807799	0	42	-1.0	-38.95	374.39	6.78	-32.17
CC(C)(C)CCC(NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010807800	0	40	-1.0	-56.25	352.09	6.68	-49.57
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010807801	0	37	-1.0	-39.55	339.74	5.13	-34.42
CCCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807802	0	49	-1.0	-53.85	396.42	7.70	-46.15
COC1=CC=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807803	0	44	-1.0	-46.97	361.27	5.32	-41.65
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807804	0	51	-1.0	-53.69	417.66	4.20	-49.49
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010807805	0	40	-1.0	-48.50	350.61	5.67	-42.83
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010807805	1	39	-2.0	-127.01	348.04	5.41	-121.60
CC(C)(C)CCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010807806	0	40	-1.0	-49.31	365.72	6.48	-42.83
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010807807	0	40	-1.0	-43.56	346.16	6.10	-37.46
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010807808	0	39	-2.0	-145.35	332.08	6.13	-139.22
CC(C)(C)CCC(NS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010807808	1	40	-1.0	-60.48	339.29	5.69	-54.79
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010807809	0	39	-1.0	-51.35	344.14	4.07	-47.28
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010807810	0	41	-1.0	-40.93	353.53	5.94	-34.99
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010807811	0	41	-1.0	-52.21	353.04	5.85	-46.36
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010807812	0	40	-1.0	-50.50	354.77	6.05	-44.45
CC1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1Br	REAL300010807813	0	43	-1.0	-50.73	371.50	6.66	-44.07
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1NC(C)=O	REAL300010807814	0	51	-1.0	-61.59	416.29	3.78	-57.81
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010807815	0	44	-1.0	-51.26	378.23	5.24	-46.02
CC1=C(C)C(C)=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(C)=C1C	REAL300010807816	0	55	-1.0	-54.74	406.23	8.53	-46.21
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010807817	0	49	-1.0	-53.41	395.02	5.39	-48.02
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010807818	0	45	-1.0	-59.69	376.18	6.67	-53.02
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010807819	0	37	-1.0	-39.68	344.37	5.24	-34.44
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1Cl	REAL300010807820	0	46	-1.0	-41.99	387.94	7.84	-34.15
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807821	0	58	-1.0	-43.49	432.46	9.29	-34.20
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010807822	0	56	-1.0	-53.72	434.12	9.26	-44.46
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010807823	0	43	-1.0	-50.22	370.71	6.47	-43.75
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010807824	0	50	-1.0	-54.18	394.75	7.97	-46.21
CCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807825	0	46	-1.0	-54.32	375.13	6.89	-47.43
COC1=CC=C(OC)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807826	0	48	-1.0	-47.27	387.84	4.63	-42.64
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1OC	REAL300010807827	0	48	-1.0	-53.36	390.93	4.65	-48.71
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010807828	0	47	-1.0	-45.39	376.32	7.40	-37.99
CC1=NOC(C)=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807829	0	42	-1.0	-46.46	343.47	4.39	-42.07
CC(=O)NCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])S1	REAL300010807830	0	47	-1.0	-46.23	405.38	3.67	-42.56
CC(C)(C)CCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010807831	0	48	-1.0	-44.36	381.45	7.81	-36.55
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010807832	0	40	-1.0	-42.56	345.03	5.64	-36.92
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010807832	1	39	-2.0	-136.95	337.39	5.94	-131.01
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807833	0	50	-1.0	-72.19	400.32	5.18	-67.01
CC(C)(C)CCC(NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010807834	0	37	-1.0	-49.36	353.31	5.57	-43.79
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010807834	1	36	-2.0	-120.12	353.29	5.36	-114.76
CC(C)CCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807835	0	55	-1.0	-53.88	435.48	8.98	-44.90
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010807836	0	46	-1.0	-57.76	371.29	7.74	-50.02
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010807837	0	50	-1.0	-54.50	406.17	8.89	-45.61
CC1=CC=C(F)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807838	0	43	-1.0	-56.21	350.57	6.35	-49.86
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807839	0	55	-1.0	-53.69	422.46	8.26	-45.43
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300010807840	0	43	-1.0	-54.29	367.43	6.58	-47.71
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010807841	0	40	-1.0	-37.34	349.77	5.68	-31.66
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300010807842	0	43	-1.0	-54.85	359.28	6.22	-48.63
CC1=CC=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807843	0	43	-1.0	-56.13	344.37	6.30	-49.83
CC1=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CN1C	REAL300010807844	0	43	-1.0	-64.38	356.74	4.40	-59.98
CC(C)(C)CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010807845	0	43	-1.0	-41.99	377.26	6.59	-35.40
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010807846	0	40	-1.0	-39.22	351.22	5.72	-33.50
CC(C)(C)CCC([N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010807846	1	39	-2.0	-126.36	343.68	5.99	-120.37
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010807847	0	41	-1.0	-64.30	342.08	4.33	-59.97
CC1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1F	REAL300010807848	0	43	-1.0	-50.77	358.95	6.15	-44.62
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010807849	0	43	-1.0	-47.49	376.29	6.53	-40.96
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010807850	0	45	-1.0	-50.25	356.10	6.54	-43.71
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010807851	0	43	-1.0	-53.85	356.38	6.27	-47.58
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010807852	0	40	-1.0	-44.47	352.08	6.04	-38.43
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010807853	0	40	-1.0	-49.33	352.30	6.18	-43.15
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807854	0	46	-1.0	-51.90	388.67	6.00	-45.90
CC1=CC=C(F)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807855	0	43	-1.0	-45.36	357.82	6.23	-39.13
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1F	REAL300010807856	0	44	-1.0	-51.24	367.92	4.82	-46.42
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1F	REAL300010807857	0	43	-1.0	-55.32	358.93	6.16	-49.16
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010807858	0	40	-1.0	-47.66	358.98	6.14	-41.52
CN1C=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807859	0	40	-1.0	-52.80	328.09	5.39	-47.41
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300010807860	0	39	-1.0	-42.36	325.77	3.72	-38.64
CC(=O)NC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300010807861	0	47	-1.0	-56.29	402.37	4.96	-51.33
CC1CCCCN1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807862	0	48	-1.0	-53.89	362.74	5.61	-48.28
CCCN(CCC)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807863	0	50	-1.0	-53.57	383.83	5.52	-48.05
CN(CCC#N)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807864	0	42	-1.0	-42.31	351.02	4.13	-38.18
CC(C)(C)CCC(NS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010807865	0	44	-1.0	-43.14	372.87	6.55	-36.59
CC(C)(C)CCC(NS(=O)(=O)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010807866	0	46	-1.0	-42.21	373.52	6.95	-35.26
CC1=CC=C(Cl)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1Cl	REAL300010807867	0	43	-1.0	-44.38	371.81	7.30	-37.08
CC(C)(C)CCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010807868	0	43	-1.0	-40.41	387.28	7.17	-33.24
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010807869	0	50	-1.0	-49.02	402.65	7.24	-41.78
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1C(N)=O	REAL300010807870	0	47	-1.0	-53.02	382.59	2.93	-50.09
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1C(N)=O	REAL300010807871	0	48	-1.0	-55.01	393.77	2.85	-52.16
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807872	0	45	-1.0	-50.45	372.69	6.92	-43.53
CC(=O)NC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(F)=C1	REAL300010807873	0	47	-1.0	-59.45	394.32	4.43	-55.02
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807874	0	45	-1.0	-50.33	366.87	6.79	-43.54
CN1C=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1Cl	REAL300010807875	0	40	-1.0	-49.22	349.83	5.06	-44.16
CN1C=NC(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])=C1Cl	REAL300010807875	1	39	-2.0	-140.53	348.77	4.72	-135.81
CC1=CC(F)=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807876	0	43	-1.0	-42.92	358.60	6.23	-36.69
COCCOCCS(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807877	0	47	-1.0	-55.24	385.09	2.44	-52.80
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807878	0	46	-1.0	-44.90	404.54	6.69	-38.21
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010807879	0	39	-1.0	-44.64	350.20	4.23	-40.41
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010807880	0	49	-1.0	-67.18	417.29	3.67	-63.51
CC(=O)NC1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1F	REAL300010807881	0	47	-1.0	-63.22	393.69	4.48	-58.74
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C21	REAL300010807882	0	54	-1.0	-65.22	424.45	7.09	-58.13
CC(C)(C)CCC(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010807883	0	45	-1.0	-70.06	380.84	1.49	-68.57
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(C)=C1C	REAL300010807884	0	50	-1.0	-55.00	389.82	6.22	-48.78
CC(C)(C)CCC(NS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010807885	0	40	-1.0	-52.83	352.47	6.19	-46.64
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010807886	0	51	-1.0	-42.26	414.09	5.00	-37.26
CC(C)(C)CCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010807887	0	43	-1.0	-40.82	376.65	6.84	-33.98
CCCCN(C)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807888	0	47	-1.0	-40.62	373.16	5.17	-35.45
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807889	0	48	-1.0	-59.87	388.88	7.83	-52.04
CC(C)CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807890	0	52	-1.0	-53.99	413.20	8.16	-45.83
COCCC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807891	0	50	-1.0	-54.24	408.83	5.97	-48.27
COCCN(CCOC)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807892	0	52	-1.0	-42.72	400.84	2.82	-39.90
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807893	0	43	-1.0	-55.45	360.90	6.81	-48.64
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807894	0	56	-1.0	-53.09	443.88	7.80	-45.29
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010807895	0	54	-1.0	-52.63	426.87	7.67	-44.96
CC(C)COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807896	0	53	-1.0	-53.38	424.91	7.19	-46.19
CCCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807897	0	50	-1.0	-53.32	404.81	6.50	-46.82
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300010807898	0	44	-1.0	-51.07	377.48	5.33	-45.74
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010807899	0	44	-1.0	-52.38	387.48	5.58	-46.80
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1C	REAL300010807900	0	47	-1.0	-53.46	381.77	5.49	-47.97
CC1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1OC(C)C	REAL300010807901	0	53	-1.0	-53.08	421.55	7.05	-46.03
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(C)=C1	REAL300010807902	0	47	-1.0	-54.56	373.75	5.55	-49.01
COCCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807903	0	51	-1.0	-55.89	416.94	4.97	-50.92
CC(C)(C)CCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010807904	0	43	-1.0	-57.30	361.16	6.19	-51.11
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807905	0	51	-1.0	-49.50	423.43	5.22	-44.28
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(Br)=C1	REAL300010807906	0	43	-1.0	-54.16	367.75	6.78	-47.38
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807907	0	46	-1.0	-59.50	389.68	7.38	-52.12
CC(C)(C)CCC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010807908	0	45	-1.0	-53.49	372.89	5.85	-47.64
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807909	0	44	-1.0	-44.29	368.00	5.96	-38.33
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-]	REAL300010807909	1	43	-2.0	-140.47	363.14	6.26	-134.21
CC1=CC(C#N)=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807910	0	44	-1.0	-52.79	364.80	6.66	-46.13
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010807911	0	41	-1.0	-51.25	358.62	5.94	-45.31
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010807912	0	44	-1.0	-51.18	387.66	6.62	-44.56
CC(C)(C)CCC(NS(=O)(=O)CC1=NOC=C1)C(=O)[O-]	REAL300010807913	0	39	-1.0	-46.49	327.01	3.44	-43.05
COC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1OC	REAL300010807914	0	50	-1.0	-53.55	414.28	6.15	-47.40
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1C	REAL300010807915	0	49	-1.0	-51.31	402.75	6.66	-44.65
COC(=O)CCN(C)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807916	0	47	-1.0	-45.59	386.90	4.42	-41.17
CN(C1CCOCC1)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807917	0	49	-1.0	-41.55	376.73	3.46	-38.09
CC(C)(C)CCC(NS(=O)(=O)N1CC2CCC1C2)C(=O)[O-]	REAL300010807918	0	46	-1.0	-43.39	358.67	5.01	-38.38
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010807919	0	49	-1.0	-58.87	400.93	5.53	-53.34
CC1=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010807920	0	49	-1.0	-57.34	402.84	6.64	-50.70
CCN1N=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1C	REAL300010807921	0	49	-1.0	-51.20	389.17	5.30	-45.90
CC(C)N1C=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=N1	REAL300010807922	0	46	-1.0	-44.81	375.53	4.58	-40.23
CC(C)CN1C=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807923	0	49	-1.0	-51.99	388.65	7.27	-44.72
CC(C)N1C=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807924	0	46	-1.0	-53.83	372.95	6.44	-47.39
CC(C)C1=NC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CN1	REAL300010807925	0	46	-1.0	-63.31	377.26	3.93	-59.38
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010807926	0	52	-1.0	-56.66	376.27	7.68	-48.98
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807927	0	48	-1.0	-52.80	397.24	4.90	-47.90
CC(C)(C)CCC(NS(=O)(=O)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010807928	0	46	-1.0	-42.21	373.52	6.95	-35.26
CC(C)(C)CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010807929	0	47	-1.0	-59.37	398.02	6.74	-52.63
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1F	REAL300010807930	0	46	-1.0	-45.55	398.72	6.27	-39.28
COC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C(Cl)=C1Cl	REAL300010807931	0	44	-1.0	-44.51	390.10	5.90	-38.61
CC1=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C(Br)S1	REAL300010807932	0	40	-1.0	-52.92	360.18	5.98	-46.94
COC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CN1	REAL300010807933	0	44	-1.0	-45.04	374.02	3.84	-41.20
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010807934	0	41	-1.0	-48.52	368.15	6.28	-42.24
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1C	REAL300010807935	0	48	-1.0	-48.78	378.44	8.28	-40.50
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807936	0	46	-1.0	-43.84	397.42	6.68	-37.16
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807937	0	49	-1.0	-66.27	405.14	3.80	-62.47
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010807938	0	41	-1.0	-48.66	368.20	6.28	-42.38
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807939	0	56	-1.0	-53.39	444.44	7.22	-46.17
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010807940	0	51	-1.0	-59.18	420.02	5.45	-53.73
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])O1	REAL300010807941	0	43	-1.0	-54.06	373.00	4.31	-49.75
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CCC(C)(C)C)C(=O)[O-])O1	REAL300010807941	1	42	-2.0	-126.35	365.03	4.61	-121.74
COC(=O)C1=C(C)OC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807942	0	46	-1.0	-45.39	390.57	5.01	-40.38
CC1=NC(C)=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])S1	REAL300010807943	0	42	-1.0	-52.41	358.40	4.07	-48.34
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807944	0	41	-2.0	-152.00	348.28	7.29	-144.71
CC(C)(C)CCC(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807944	1	42	-1.0	-50.27	359.88	7.21	-43.06
CC(C)(C)CCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010807945	0	43	-1.0	-55.17	389.35	7.16	-48.01
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C(C)N1	REAL300010807946	0	53	-1.0	-51.18	425.32	6.07	-45.11
CC(C)(C)CCC(NS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010807947	0	40	-1.0	-56.45	347.74	6.27	-50.18
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010807947	1	39	-2.0	-142.21	345.12	6.73	-135.48
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807948	0	49	-1.0	-62.78	398.88	6.94	-55.84
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807949	0	42	-1.0	-53.27	363.60	7.45	-45.82
COC1=CC(F)=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1OC	REAL300010807950	0	48	-1.0	-46.40	397.24	4.79	-41.61
COC1=CC(C)=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1OC	REAL300010807951	0	51	-1.0	-56.76	402.67	5.50	-51.26
CC(C)(C)CCC(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010807952	0	43	-1.0	-53.76	371.84	6.42	-47.34
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010807953	0	41	-1.0	-52.24	355.35	5.70	-46.54
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010807954	0	41	-1.0	-51.87	365.45	6.16	-45.71
CC(C)OCCS(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807955	0	46	-1.0	-53.84	371.74	3.92	-49.92
CC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1Br	REAL300010807956	0	43	-1.0	-54.24	371.47	6.66	-47.58
CC1=C(F)C=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807957	0	43	-1.0	-51.59	349.19	6.31	-45.28
COC(=O)CN1C=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=N1	REAL300010807958	0	46	-1.0	-52.32	392.38	4.30	-48.02
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010807959	0	46	-1.0	-45.12	388.69	8.31	-36.81
CC1=C(Br)SC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807960	0	40	-1.0	-40.55	363.98	5.83	-34.72
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010807961	0	44	-1.0	-61.59	374.50	6.63	-54.96
COC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC(F)=C1F	REAL300010807962	0	46	-1.0	-40.87	396.38	6.24	-34.63
CC(C)(C)CCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010807963	0	58	-1.0	-53.15	419.25	7.11	-46.04
CC1=NC2=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=CC=C2C=C1	REAL300010807964	0	48	-1.0	-52.42	392.14	6.74	-45.68
CC(C)(C)CCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010807965	0	51	-1.0	-46.61	410.19	4.08	-42.53
CC1=CC=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1Br	REAL300010807966	0	43	-1.0	-54.70	364.14	6.68	-48.02
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807967	0	46	-1.0	-54.91	379.22	6.41	-48.50
CC(C)(C)CCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010807968	0	48	-1.0	-43.09	388.81	3.24	-39.85
COC1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010807969	0	46	-1.0	-50.00	387.73	6.19	-43.81
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807970	0	46	-1.0	-56.52	383.49	7.29	-49.23
COCCN1C=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=N1	REAL300010807971	0	47	-1.0	-43.43	390.53	3.11	-40.32
CCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C2=CC=CC=C12	REAL300010807972	0	53	-1.0	-46.81	418.69	7.98	-38.83
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807973	0	50	-1.0	-47.61	404.64	6.88	-40.73
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010807974	0	45	-1.0	-61.26	380.53	5.64	-55.62
CC(C)(C)CCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010807975	0	47	-1.0	-48.50	391.34	6.62	-41.88
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010807976	0	41	-1.0	-55.74	354.70	5.65	-50.09
CCOCCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807977	0	54	-1.0	-55.78	438.79	5.93	-49.85
CCCCCOC1=CC=C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])C=C1	REAL300010807978	0	56	-1.0	-53.29	447.81	8.06	-45.23
CC(C)(C)CCC(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807979	0	42	-1.0	-48.74	368.42	7.75	-40.99
CC(C)(C)CCC([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010807979	1	41	-2.0	-147.56	356.36	7.81	-139.75
COC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1F	REAL300010807980	0	46	-1.0	-50.43	391.29	6.15	-44.28
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807981	0	50	-1.0	-47.82	413.04	6.01	-41.81
COC(=O)C1=CSC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807982	0	43	-1.0	-52.29	380.72	5.16	-47.13
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807983	0	52	-1.0	-62.92	416.16	7.45	-55.47
COC(=O)C1=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=CC=C1C	REAL300010807984	0	49	-1.0	-54.94	402.77	6.65	-48.29
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807985	0	46	-1.0	-46.43	393.29	6.23	-40.20
CC(C)(C)CCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010807986	0	50	-1.0	-44.38	383.29	8.04	-36.34
CC(C)(C)CCC(NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010807987	0	39	-1.0	-49.29	348.68	4.24	-45.05
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010807988	0	44	-1.0	-51.87	388.39	6.94	-44.93
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010807989	0	40	-1.0	-47.85	358.97	6.14	-41.71
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010807990	0	47	-1.0	-65.31	396.89	3.32	-61.99
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807991	0	43	-1.0	-51.95	362.19	6.77	-45.18
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010807992	0	51	-1.0	-53.14	409.48	6.73	-46.41
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807993	0	49	-1.0	-52.90	414.85	3.98	-48.92
CC(C)(C)CCC(NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010807994	0	42	-1.0	-42.42	381.31	5.44	-36.98
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807995	0	45	-1.0	-64.65	386.12	6.48	-58.17
CN(C1CCCC1)S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010807996	0	48	-1.0	-52.85	365.26	5.08	-47.77
CC1=NOC(CS(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])=C1	REAL300010807997	0	42	-1.0	-56.36	352.55	4.33	-52.03
CC(C)(C)CCC(NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010807998	0	45	-1.0	-49.64	382.94	0.89	-48.75
COC(=O)CC1(CS(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-])CC1	REAL300010807999	0	49	-1.0	-55.92	397.86	5.97	-49.95
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(CCC(C)(C)C)C(=O)[O-]	REAL300010808000	0	45	-1.0	-46.72	387.64	5.58	-41.14
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1F	REAL300010809545	0	39	-1.0	-45.24	304.70	4.70	-40.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010809546	0	39	-1.0	-49.24	331.77	5.46	-43.78
COC(=O)C1CCCCC1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809547	0	44	-1.0	-67.82	337.01	7.24	-60.58
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809548	0	47	-1.0	-51.52	357.16	5.97	-45.55
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809549	0	40	-1.0	-57.21	336.29	7.11	-50.10
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809550	0	40	-1.0	-41.75	313.08	7.05	-34.70
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010809551	0	37	-1.0	-44.19	322.10	5.51	-38.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)O1	REAL300010809552	0	29	-1.0	-48.62	271.02	3.69	-44.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C#N)CCCCC1	REAL300010809553	0	42	-1.0	-71.08	326.70	7.01	-64.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C)CCCCC1	REAL300010809554	0	44	-1.0	-60.38	321.32	7.58	-52.80
COC1=CC(Br)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809555	0	36	-1.0	-49.14	317.44	4.88	-44.26
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1C	REAL300010809556	0	42	-1.0	-56.67	349.68	5.99	-50.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010809557	0	45	-1.0	-50.24	378.85	6.03	-44.21
CCC1=NOC2=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C12	REAL300010809558	0	39	-1.0	-43.23	321.81	2.97	-40.26
CCC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809559	0	34	-1.0	-48.60	296.72	3.54	-45.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010809560	0	44	-1.0	-52.73	351.02	6.42	-46.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010809561	0	32	-1.0	-57.29	280.60	6.43	-50.86
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Cl)=N1	REAL300010809562	0	34	-1.0	-47.02	286.29	3.63	-43.39
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809563	0	37	-1.0	-52.21	308.21	5.27	-46.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010809564	0	39	-1.0	-44.60	325.39	6.80	-37.80
CSC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809565	0	36	-1.0	-50.50	321.87	6.43	-44.07
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809566	0	34	-1.0	-52.88	305.68	6.26	-46.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010809567	0	42	-1.0	-47.69	351.38	1.44	-46.25
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN=C1Cl	REAL300010809568	0	35	-1.0	-40.71	301.39	3.24	-37.47
CCN1C(=O)OC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300010809569	0	41	-1.0	-51.64	342.56	5.92	-45.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010809570	0	47	-1.0	-50.85	380.40	5.40	-45.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010809571	0	31	-1.0	-50.04	287.75	4.74	-45.30
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809572	0	50	0.0	-82.42	382.90	6.24	-76.18
CCC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809573	0	41	-1.0	-43.63	334.08	7.09	-36.54
CC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809574	0	38	-1.0	-42.39	317.73	6.38	-36.01
CC1=CC(Br)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809575	0	35	-1.0	-49.77	298.64	6.23	-43.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010809576	0	36	-1.0	-55.42	295.35	4.85	-50.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010809577	0	32	-1.0	-49.86	287.22	5.40	-44.46
COC1=CC=CC(OC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809578	0	40	-1.0	-51.90	321.13	5.43	-46.47
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300010809579	0	59	-1.0	-51.19	453.94	9.59	-41.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010809580	0	41	-1.0	-44.43	328.38	6.32	-38.11
CC1=CC=CC(F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809581	0	35	-1.0	-53.85	276.14	5.52	-48.33
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809582	0	46	-1.0	-44.03	380.04	5.79	-38.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010809583	0	33	-1.0	-40.39	291.11	5.52	-34.87
CC1=NC(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CS1	REAL300010809584	0	34	-1.0	-44.95	297.59	3.34	-41.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010809585	0	35	-1.0	-54.89	310.62	4.03	-50.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010809586	0	38	-1.0	-49.89	333.84	7.85	-42.04
COC(=O)CCCCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809587	0	43	-1.0	-45.15	351.23	5.77	-39.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010809588	0	37	-1.0	-50.55	310.98	4.08	-46.47
COC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809589	0	40	-1.0	-62.95	336.41	4.09	-58.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010809591	0	35	-1.0	-52.19	324.06	7.44	-44.75
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809592	0	43	-1.0	-64.55	353.13	4.74	-59.81
COC1=C(F)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809593	0	38	-1.0	-44.99	330.01	5.80	-39.19
COC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809594	0	42	-1.0	-43.79	352.43	4.66	-39.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010809595	0	43	-1.0	-59.45	365.54	6.77	-52.68
COC1=CC=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809596	0	42	-1.0	-44.06	342.01	5.73	-38.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010809597	0	35	-1.0	-59.71	305.55	4.75	-54.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010809598	0	43	-1.0	-44.69	348.59	6.27	-38.42
CC1=CC=NC2=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=CC=C12	REAL300010809599	0	40	-1.0	-52.53	317.79	6.22	-46.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010809600	0	35	-1.0	-52.34	298.75	5.85	-46.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010809601	0	35	-1.0	-49.44	304.67	5.78	-43.66
CC1=CC(Br)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809602	0	35	-1.0	-39.36	307.83	6.67	-32.69
CSC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809603	0	36	-1.0	-56.01	290.44	5.36	-50.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010809604	0	43	-1.0	-57.06	343.91	5.25	-51.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010809605	0	44	-1.0	-45.85	358.85	5.25	-40.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010809606	0	40	-1.0	-54.98	338.43	7.14	-47.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010809607	0	40	-1.0	-52.50	318.12	5.35	-47.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010809608	0	35	-1.0	-41.75	313.60	6.24	-35.51
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(OC)=C1	REAL300010809609	0	42	-1.0	-52.66	342.14	5.53	-47.13
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=CS1	REAL300010809610	0	38	-1.0	-58.68	316.48	5.88	-52.80
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300010809611	0	36	-1.0	-48.18	302.38	4.33	-43.85
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809612	0	43	-1.0	-45.31	348.99	5.86	-39.45
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809613	0	46	-1.0	-43.93	377.04	6.39	-37.54
CC(C)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809614	0	41	-1.0	-50.40	317.12	7.69	-42.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010809615	0	46	-1.0	-55.14	373.40	8.35	-46.79
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809616	0	40	-1.0	-54.72	338.86	7.87	-46.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010809617	0	44	0.0	-90.12	347.50	7.80	-82.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010809618	0	40	-1.0	-46.81	319.92	5.34	-41.47
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C2O1	REAL300010809619	0	47	-1.0	-49.40	390.36	7.63	-41.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CS1	REAL300010809620	0	35	-1.0	-41.98	302.92	5.51	-36.47
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809621	0	44	-1.0	-40.93	347.85	6.64	-34.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010809622	0	32	-1.0	-49.03	290.01	5.60	-43.43
CC1=C(Cl)SC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809623	0	32	-1.0	-47.80	295.59	5.17	-42.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010809624	0	38	-1.0	-46.74	312.91	5.43	-41.31
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809625	0	36	-1.0	-51.99	295.15	4.12	-47.87
CC1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300010809626	0	40	-1.0	-62.59	318.77	7.77	-54.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010809627	0	38	-1.0	-59.57	330.15	7.68	-51.89
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809628	0	42	-1.0	-44.50	343.86	7.35	-37.15
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809629	0	35	-1.0	-45.37	295.64	6.53	-38.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010809630	0	37	-1.0	-50.35	307.83	5.33	-45.02
CC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809631	0	38	-1.0	-47.24	317.74	6.38	-40.86
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809632	0	40	-1.0	-37.29	314.10	6.52	-30.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010809633	0	32	-1.0	-44.76	286.77	5.84	-38.92
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010809634	0	31	-1.0	-38.33	278.27	3.94	-34.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010809635	0	32	-1.0	-45.99	302.68	6.05	-39.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010809636	0	43	-1.0	-45.61	357.13	5.11	-40.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010809637	0	32	-1.0	-49.34	287.73	5.37	-43.97
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809638	0	42	-1.0	-54.33	325.40	6.50	-47.83
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809639	0	35	-1.0	-41.70	287.75	1.95	-39.75
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C#N	REAL300010809640	0	36	-1.0	-49.07	306.59	5.85	-43.22
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809641	0	38	-1.0	-49.18	325.86	5.67	-43.51
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809642	0	36	-1.0	-41.20	306.83	5.35	-35.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010809643	0	33	-1.0	-51.78	294.14	3.73	-48.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010809644	0	45	-1.0	-42.74	356.00	8.24	-34.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010809645	0	43	-1.0	-43.79	349.13	5.69	-38.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010809646	0	46	-1.0	-46.30	352.85	6.85	-39.45
COC1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809647	0	39	-1.0	-41.39	300.75	4.36	-37.03
COC(=O)C1=CN=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809648	0	37	-1.0	-51.07	316.62	3.82	-47.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010809649	0	33	-1.0	-47.07	307.05	5.88	-41.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010809650	0	34	-1.0	-45.30	308.18	6.09	-39.21
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809651	0	39	-1.0	-50.24	314.14	5.72	-44.52
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809652	0	38	-1.0	-51.65	340.68	6.80	-44.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010809653	0	39	-1.0	-44.73	309.43	5.20	-39.53
COC1=CC(Cl)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300010809654	0	40	-1.0	-43.83	327.42	4.37	-39.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010809655	0	36	-1.0	-50.01	312.02	4.62	-45.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010809656	0	35	-1.0	-38.34	305.70	6.30	-32.04
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809657	0	43	-1.0	-53.70	358.61	1.94	-51.76
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C2S1	REAL300010809658	0	44	-1.0	-50.31	381.28	8.00	-42.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300010809659	0	36	-1.0	-57.88	308.84	6.14	-51.74
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010809660	0	38	-1.0	-62.12	317.81	4.99	-57.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010809661	0	37	-1.0	-55.12	323.40	0.57	-54.55
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809662	0	38	-1.0	-50.87	320.60	5.43	-45.44
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809663	0	40	-1.0	-58.90	331.09	6.32	-52.58
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(Br)=C1	REAL300010809664	0	36	-1.0	-50.65	300.71	4.53	-46.12
CC1=CC2=C(C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1)OCO2	REAL300010809665	0	38	-1.0	-59.05	303.21	4.96	-54.09
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809666	0	38	-1.0	-50.56	310.49	5.90	-44.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010809667	0	32	-1.0	-49.13	284.49	5.52	-43.61
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809668	0	38	-1.0	-41.26	294.77	6.35	-34.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010809669	0	32	-1.0	-39.88	289.38	5.90	-33.98
COC1=CC2=C(C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1)OCC(=O)N2	REAL300010809670	0	42	-1.0	-54.71	338.92	2.06	-52.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010809671	0	34	-1.0	-39.18	309.56	6.32	-32.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)S1	REAL300010809672	0	30	-1.0	-54.73	283.70	5.59	-49.14
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010809673	0	34	-1.0	-45.12	307.10	5.86	-39.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010809674	0	32	-1.0	-40.23	292.15	6.14	-34.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010809675	0	33	-1.0	-48.83	288.93	3.12	-45.71
COC1=CN=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809676	0	35	-1.0	-49.69	291.23	2.42	-47.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010809677	0	32	-1.0	-51.26	289.37	5.54	-45.72
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300010809678	0	42	-1.0	-50.47	348.62	5.69	-44.78
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010809679	0	32	-1.0	-48.86	288.57	5.71	-43.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010809680	0	35	-1.0	-42.00	307.74	6.18	-35.82
CC(=O)NC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809681	0	35	-1.0	-55.64	311.85	2.48	-53.16
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809681	1	34	-2.0	-92.08	308.33	1.32	-90.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010809682	0	35	-1.0	-41.94	312.30	6.29	-35.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010809683	0	36	-1.0	-53.50	317.79	2.27	-51.23
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809684	0	41	-1.0	-75.92	336.42	8.32	-67.60
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809685	0	40	-1.0	-58.50	319.85	2.91	-55.59
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010809686	0	36	-1.0	-53.35	322.35	2.38	-50.97
CCOC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809687	0	39	-1.0	-52.92	317.89	5.20	-47.72
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010809688	0	43	-1.0	-49.86	341.05	6.40	-43.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010809689	0	36	-1.0	-47.43	323.30	6.14	-41.29
CC1=CC=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809690	0	41	-1.0	-43.02	333.92	7.12	-35.90
COC1=CC=C(Br)C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809691	0	39	-1.0	-45.39	337.38	5.51	-39.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010809692	0	35	-1.0	-55.11	287.57	3.54	-51.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010809693	0	33	-1.0	-51.65	289.55	5.32	-46.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010809694	0	33	-1.0	-45.27	294.23	5.30	-39.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809695	0	38	-1.0	-48.40	311.21	6.27	-42.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010809696	0	38	-1.0	-57.38	316.06	6.04	-51.34
COCCOCCOCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809697	0	46	-1.0	-47.50	375.91	2.24	-45.26
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809698	0	42	-1.0	-61.14	348.99	2.35	-58.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010809699	0	32	-1.0	-51.44	286.94	5.78	-45.66
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2CC1	REAL300010809700	0	49	-1.0	-54.56	380.14	6.93	-47.63
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300010809701	0	41	-1.0	-51.63	351.59	6.41	-45.22
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300010809702	0	42	-1.0	-53.61	363.31	7.66	-45.95
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809703	0	41	-1.0	-52.65	332.59	7.25	-45.40
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809704	0	41	-1.0	-43.56	330.57	7.05	-36.51
CNC(=O)C1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809705	0	42	-1.0	-46.51	347.48	3.95	-42.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010809706	0	32	-1.0	-42.34	285.01	5.41	-36.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010809707	0	45	-1.0	-43.05	368.03	6.50	-36.55
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(F)C=C1Cl	REAL300010809708	0	41	-1.0	-48.13	355.51	6.79	-41.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010809709	0	34	-1.0	-49.04	312.14	6.76	-42.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010809710	0	41	-1.0	-48.19	331.09	2.70	-45.49
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809711	0	40	-1.0	-44.79	326.05	6.07	-38.72
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1OC	REAL300010809712	0	43	-1.0	-57.82	364.96	5.83	-51.99
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(F)C=C1C	REAL300010809713	0	44	-1.0	-50.30	358.13	6.95	-43.35
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809714	0	46	-1.0	-61.20	378.12	3.18	-58.02
COCC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809715	0	43	-1.0	-44.80	344.38	4.31	-40.49
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809716	0	45	-1.0	-44.06	365.81	6.16	-37.90
CCOC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C	REAL300010809717	0	44	-1.0	-49.54	359.08	7.09	-42.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010809718	0	35	-1.0	-50.84	293.91	6.03	-44.81
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809719	0	44	-1.0	-56.54	365.39	7.34	-49.20
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809720	0	38	-1.0	-41.48	326.04	7.10	-34.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010809721	0	35	-1.0	-45.74	308.99	7.48	-38.26
CC(COC1CCCC1)CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809722	0	48	-1.0	-40.94	368.25	6.27	-34.67
CC1=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC=N1	REAL300010809723	0	37	-1.0	-43.52	316.66	4.16	-39.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010809724	0	38	-1.0	-43.12	329.24	6.95	-36.17
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809725	0	41	-1.0	-48.60	345.57	6.51	-42.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010809726	0	42	-1.0	-53.79	340.85	8.37	-45.42
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809727	0	46	-1.0	-59.69	388.28	3.69	-56.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300010809728	0	35	-1.0	-43.98	307.70	6.23	-37.75
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1C	REAL300010809729	0	44	-1.0	-47.59	364.10	6.53	-41.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010809730	0	38	-1.0	-46.14	335.63	3.33	-42.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010809731	0	36	-1.0	-54.90	314.38	5.83	-49.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010809732	0	35	-1.0	-46.08	301.57	5.84	-40.24
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809733	0	34	-1.0	-51.57	287.71	4.88	-46.69
CC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(Br)N1C	REAL300010809734	0	35	-1.0	-54.87	308.34	4.35	-50.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010809735	0	33	-1.0	-40.74	283.92	4.11	-36.63
COC(=O)C(C)(C)CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809736	0	40	-1.0	-45.48	316.16	4.87	-40.61
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809737	0	45	-1.0	-63.22	358.92	5.81	-57.41
CCOC(=O)CC1(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CC1	REAL300010809738	0	41	-1.0	-42.60	323.28	6.47	-36.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010809739	0	33	-1.0	-47.43	306.83	5.71	-41.72
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809740	0	43	-1.0	-55.33	358.10	4.34	-50.99
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(=O)OC(C)C	REAL300010809741	0	47	-1.0	-49.63	379.76	7.84	-41.79
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809742	0	44	-1.0	-63.68	372.82	5.12	-58.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010809743	0	37	-1.0	-53.06	313.06	2.16	-50.90
COC(=O)C1(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CCCC1	REAL300010809744	0	44	-1.0	-61.48	338.29	6.68	-54.80
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010809745	0	31	-1.0	-44.20	297.97	4.14	-40.06
COCC1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809746	0	39	-1.0	-49.58	338.46	5.19	-44.39
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300010809747	0	38	-1.0	-47.40	321.07	6.46	-40.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010809748	0	43	-1.0	-42.69	373.64	8.29	-34.40
COC(=O)CC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809749	0	41	-1.0	-57.26	343.58	6.39	-50.87
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010809750	0	34	-1.0	-58.15	293.05	4.78	-53.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300010809751	0	42	-1.0	-41.81	319.00	6.90	-34.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010809752	0	38	-1.0	-42.91	328.84	6.87	-36.04
COC(=O)C1(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CCC1	REAL300010809753	0	41	-1.0	-67.66	328.39	6.46	-61.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010809754	0	32	-1.0	-53.62	303.59	6.23	-47.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010809755	0	36	-1.0	-43.25	315.81	5.96	-37.29
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809756	0	45	-1.0	-52.79	376.40	5.34	-47.45
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809757	0	48	-1.0	-52.75	398.37	6.25	-46.50
COC(=O)C1(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CCCCC1	REAL300010809758	0	47	-1.0	-67.25	353.00	7.97	-59.28
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN=C1C	REAL300010809759	0	40	-1.0	-47.39	333.19	4.31	-43.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010809760	0	36	-1.0	-47.63	314.07	4.70	-42.93
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809761	0	41	-1.0	-48.51	359.91	7.07	-41.44
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010809762	0	33	-1.0	-47.67	293.25	5.42	-42.25
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1CCOCC1	REAL300010809763	0	42	-1.0	-41.72	324.42	4.23	-37.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010809764	0	48	-1.0	-50.52	400.53	6.79	-43.73
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300010809765	0	35	-1.0	-58.65	297.49	6.53	-52.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010809766	0	34	-1.0	-43.40	305.18	4.11	-39.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300010809767	0	45	-1.0	-55.16	324.66	7.03	-48.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010809768	0	41	-1.0	-53.06	331.45	6.55	-46.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010809769	0	33	-1.0	-52.85	297.27	4.33	-48.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010809770	0	38	-1.0	-43.50	323.19	6.54	-36.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010809771	0	35	-1.0	-55.68	292.19	3.48	-52.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010809772	0	34	-1.0	-53.86	302.55	7.06	-46.80
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(F)C=C1C	REAL300010809773	0	41	-1.0	-50.53	336.27	6.02	-44.51
CC1=CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C2N=C1Cl	REAL300010809774	0	40	-1.0	-50.80	343.12	6.36	-44.44
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300010809775	0	41	-1.0	-51.39	319.65	6.16	-45.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010809776	0	42	-1.0	-44.19	346.53	5.71	-38.48
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300010809777	0	59	-1.0	-44.34	417.60	10.59	-33.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010809778	0	37	-1.0	-46.88	314.94	6.64	-40.24
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809779	0	44	-1.0	-43.17	367.68	7.26	-35.91
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809780	0	37	-1.0	-64.44	302.90	4.68	-59.76
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809781	0	39	-1.0	-48.26	335.11	5.29	-42.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010809782	0	39	-1.0	-44.57	316.63	7.01	-37.56
COC1=CC=C2C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)CCC2=C1	REAL300010809783	0	44	-1.0	-46.48	351.40	6.62	-39.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010809784	0	40	-1.0	-58.07	331.44	6.90	-51.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010809785	0	35	-1.0	-49.24	302.82	5.42	-43.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010809786	0	35	-1.0	-52.43	317.58	6.81	-45.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010809787	0	35	-1.0	-41.58	318.02	6.34	-35.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010809788	0	41	-1.0	-51.44	351.90	3.16	-48.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010809789	0	35	-1.0	-48.37	292.99	5.05	-43.32
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1CCCCC1	REAL300010809790	0	44	-1.0	-41.33	333.29	6.62	-34.71
CC1=CC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2C=C1	REAL300010809791	0	41	-1.0	-51.83	334.46	7.92	-43.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Cl)C=CS1	REAL300010809792	0	29	-1.0	-50.46	271.29	4.58	-45.88
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809793	0	41	-1.0	-39.53	339.50	6.50	-33.03
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010809794	0	47	-1.0	-66.80	390.77	6.45	-60.35
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809795	0	45	-1.0	-51.34	362.54	5.27	-46.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010809796	0	35	-1.0	-47.38	309.74	6.15	-41.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010809797	0	38	-1.0	-55.24	310.66	7.01	-48.23
CCC1=CC(CC)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(CC)=C1	REAL300010809798	0	50	-1.0	-44.66	362.40	9.09	-35.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010809799	0	37	-1.0	-53.72	302.45	4.79	-48.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010809800	0	39	-1.0	-56.61	322.53	4.72	-51.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010809801	0	34	-1.0	-48.53	314.70	4.91	-43.62
COC1=CC(OC)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809802	0	40	-1.0	-41.74	334.34	4.92	-36.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010809803	0	40	-1.0	-49.15	337.79	3.52	-45.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010809804	0	43	-1.0	-58.62	340.49	2.05	-56.57
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Cl	REAL300010809805	0	36	-1.0	-48.00	312.18	4.81	-43.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010809806	0	35	-1.0	-45.48	300.63	2.45	-43.03
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809807	0	45	-1.0	-63.68	367.21	6.98	-56.70
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010809808	0	37	-1.0	-49.44	304.17	4.87	-44.57
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300010809809	0	41	-1.0	-49.85	331.69	7.86	-41.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010809810	0	36	-1.0	-39.27	306.27	5.16	-34.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010809811	0	36	-1.0	-38.89	315.80	5.38	-33.51
COC(=O)CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809812	0	41	-1.0	-54.37	349.05	6.45	-47.92
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809813	0	45	-1.0	-44.52	358.99	6.94	-37.58
COC(CC(C)C)CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809814	0	44	-1.0	-42.82	341.16	4.91	-37.91
COC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809815	0	36	-1.0	-41.05	295.71	4.66	-36.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010809816	0	35	-1.0	-40.56	325.79	6.72	-33.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCC1CCOC1	REAL300010809817	0	42	-1.0	-42.44	328.05	4.21	-38.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010809818	0	35	-1.0	-42.01	324.44	6.73	-35.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010809819	0	35	-1.0	-46.25	306.23	4.06	-42.19
CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300010809820	0	40	-1.0	-49.74	328.80	6.80	-42.94
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809821	0	48	-1.0	-55.15	364.37	7.14	-48.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010809822	0	39	-1.0	-49.39	333.42	6.83	-42.56
COC1=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809823	0	35	-1.0	-46.03	309.90	2.19	-43.84
CCOC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300010809824	0	41	-1.0	-50.14	342.21	6.40	-43.74
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809825	0	41	-1.0	-54.74	361.61	7.56	-47.18
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010809826	0	35	-1.0	-41.22	307.74	6.19	-35.03
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Cl	REAL300010809827	0	35	-1.0	-48.12	302.11	6.06	-42.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010809828	0	38	-1.0	-56.00	314.66	5.97	-50.03
CC1=CSC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=N1	REAL300010809829	0	41	-1.0	-44.99	353.65	6.38	-38.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1F	REAL300010809830	0	38	-1.0	-51.06	334.92	6.27	-44.79
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809831	0	41	-1.0	-49.40	340.24	6.15	-43.25
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809832	0	38	-1.0	-41.87	324.95	6.74	-35.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCC1CCOCC1	REAL300010809833	0	45	-1.0	-42.49	346.11	4.98	-37.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010809834	0	47	-1.0	-42.77	375.20	3.06	-39.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010809835	0	40	-1.0	-56.57	308.49	6.12	-50.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010809836	0	39	-1.0	-58.07	331.65	2.85	-55.22
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010809837	0	32	-1.0	-46.06	289.14	5.54	-40.52
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC(Br)=C1	REAL300010809838	0	32	-1.0	-54.69	302.52	6.46	-48.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010809839	0	41	-1.0	-50.01	322.77	5.10	-44.91
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809840	0	42	-1.0	-50.86	327.96	3.38	-47.48
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010809841	0	38	-1.0	-42.32	319.10	6.47	-35.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1F	REAL300010809842	0	38	-1.0	-43.91	318.08	6.48	-37.43
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010809843	0	38	-1.0	-43.01	325.13	6.81	-36.20
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809844	0	36	-1.0	-49.42	315.13	5.52	-43.90
COC1=CC2=C(C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C(=O)NCCC2	REAL300010809845	0	47	-1.0	-62.06	364.13	3.94	-58.12
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)S2)C1	REAL300010809846	0	43	-1.0	-55.66	356.60	5.38	-50.28
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC2=CC=C(C#N)C=C12	REAL300010809847	0	39	-1.0	-47.25	343.04	8.29	-38.96
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CCOC1	REAL300010809848	0	43	-1.0	-43.84	333.56	2.76	-41.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010809849	0	35	-1.0	-42.38	314.31	6.28	-36.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010809850	0	35	-1.0	-42.62	311.07	6.17	-36.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010809851	0	32	-1.0	-46.23	304.67	6.09	-40.14
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809852	0	39	-1.0	-57.88	322.57	2.39	-55.49
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809853	0	57	-1.0	-44.20	447.75	9.84	-34.36
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809854	0	47	-1.0	-52.99	377.27	7.26	-45.73
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300010809855	0	46	-1.0	-51.60	374.71	8.04	-43.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010809856	0	46	-1.0	-50.21	384.03	8.33	-41.88
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=C2)=N1	REAL300010809857	0	44	-1.0	-53.65	347.79	4.44	-49.21
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1=CC=C(F)C=C1	REAL300010809858	0	42	-1.0	-44.13	349.25	6.02	-38.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010809859	0	44	-1.0	-58.92	352.06	7.33	-51.59
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)N(C)N=C1	REAL300010809860	0	38	-1.0	-52.71	311.85	3.97	-48.74
COC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300010809861	0	40	-1.0	-49.37	347.57	3.84	-45.53
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=CC=C12	REAL300010809862	0	44	-1.0	-43.80	349.21	7.47	-36.33
COC(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300010809863	0	43	-1.0	-54.20	351.39	4.09	-50.11
CCOC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CC1	REAL300010809864	0	42	-1.0	-44.35	332.22	5.40	-38.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1F	REAL300010809865	0	38	-1.0	-54.33	324.52	5.55	-48.78
CC(=O)N1CCC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=C(Cl)C=C21	REAL300010809866	0	43	-1.0	-59.62	348.12	6.23	-53.39
CCC(C)OC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809867	0	45	-1.0	-52.88	356.82	6.66	-46.22
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CCCC1	REAL300010809868	0	45	-1.0	-43.62	342.22	5.72	-37.90
COC(CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1)C1CCCCC1	REAL300010809869	0	48	-1.0	-43.86	357.42	6.32	-37.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010809870	0	35	-1.0	-43.08	302.79	4.91	-38.17
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300010809871	0	51	-1.0	-50.40	398.10	8.01	-42.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010809872	0	35	-1.0	-68.55	322.81	5.95	-62.60
COC1=CC(F)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809873	0	36	-1.0	-51.20	293.80	4.88	-46.32
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300010809874	0	40	-1.0	-46.96	318.92	6.91	-40.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010809875	0	39	-1.0	-54.30	308.65	5.37	-48.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010809876	0	45	-1.0	-49.32	359.46	6.97	-42.35
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)O1	REAL300010809877	0	38	-1.0	-49.33	324.08	4.32	-45.01
CCC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300010809878	0	45	-1.0	-56.02	364.91	6.96	-49.06
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2C1	REAL300010809879	0	43	-1.0	-58.93	350.41	5.46	-53.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010809880	0	35	-1.0	-47.38	306.21	4.42	-42.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010809881	0	43	-1.0	-52.41	367.43	9.06	-43.35
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809882	0	35	-1.0	-47.32	303.71	6.26	-41.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010809883	0	42	-1.0	-50.64	323.70	8.07	-42.57
CC1=CC=C(Br)C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809884	0	38	-1.0	-43.92	329.14	6.89	-37.03
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809885	0	39	-1.0	-48.32	335.89	5.59	-42.73
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010809886	0	38	-1.0	-45.27	323.13	6.49	-38.78
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1F	REAL300010809887	0	35	-1.0	-54.27	293.03	5.56	-48.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010809888	0	31	-1.0	-50.10	283.09	3.44	-46.66
CC(C)OC1=CN=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809889	0	41	-1.0	-46.96	331.52	4.02	-42.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010809890	0	38	-1.0	-61.82	311.92	3.22	-58.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010809891	0	39	-1.0	-49.89	342.16	4.28	-45.61
COC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)OC=C1	REAL300010809892	0	35	-1.0	-57.75	299.68	4.33	-53.42
CCC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300010809893	0	45	-1.0	-41.49	342.03	6.21	-35.28
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010809894	0	38	-1.0	-40.79	338.63	6.79	-34.00
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809895	0	40	-1.0	-57.54	337.35	5.97	-51.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010809896	0	34	-1.0	-64.52	298.36	5.05	-59.47
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809897	0	35	-1.0	-35.30	304.30	6.07	-29.23
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300010809898	0	41	-1.0	-55.14	316.23	7.95	-47.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010809899	0	39	-1.0	-40.92	334.10	5.32	-35.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1CC#N	REAL300010809900	0	36	-1.0	-66.59	302.15	7.12	-59.47
CC1=CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C2NC1=O	REAL300010809901	0	41	-1.0	-52.22	338.13	4.71	-47.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010809902	0	37	-1.0	-54.13	310.40	3.44	-50.69
CC1=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)S1	REAL300010809903	0	41	-1.0	-51.54	350.51	6.56	-44.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010809904	0	32	-1.0	-54.28	269.10	2.12	-52.16
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(F)C=C1[N+](=O)[O-]	REAL300010809905	0	37	-1.0	-48.07	310.27	6.02	-42.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010809906	0	38	-1.0	-59.77	328.46	7.28	-52.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC[NH+]1CCCC1	REAL300010809907	0	44	0.0	-57.72	334.90	5.79	-51.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010809908	0	49	0.0	-62.06	369.23	4.13	-57.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CCN(C)CC1	REAL300010809908	1	48	-1.0	-41.79	365.17	1.62	-40.17
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010809909	0	32	-1.0	-48.85	279.33	2.73	-46.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010809910	0	32	-1.0	-48.31	282.67	3.06	-45.25
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809911	0	36	-1.0	-55.64	297.45	5.94	-49.70
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300010809912	0	41	-1.0	-43.42	334.33	3.82	-39.60
CCCCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=N1	REAL300010809913	0	44	-1.0	-51.15	345.44	5.49	-45.66
COC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C(OC)C=C1F	REAL300010809914	0	42	-1.0	-51.88	347.30	5.53	-46.35
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809915	0	42	-1.0	-72.70	345.20	6.63	-66.07
COC1=C(F)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809916	0	36	-1.0	-55.22	303.83	6.15	-49.07
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300010809917	0	48	-1.0	-50.83	376.61	7.21	-43.62
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010809918	0	44	-1.0	-41.76	339.60	7.49	-34.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010809919	0	33	-1.0	-48.50	293.89	5.42	-43.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010809920	0	35	-1.0	-40.63	311.07	6.16	-34.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010809921	0	51	-1.0	-43.15	393.04	9.46	-33.69
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010809922	0	36	-1.0	-50.53	296.45	4.93	-45.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)NC=N1	REAL300010809923	0	29	-1.0	-54.40	265.75	3.03	-51.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010809924	0	40	-1.0	-49.47	335.86	5.79	-43.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010809925	0	31	-1.0	-47.35	279.91	3.68	-43.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010809926	0	31	-1.0	-50.19	278.51	3.36	-46.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010809927	0	31	-1.0	-50.56	268.04	2.91	-47.65
COC1=NC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809928	0	35	-1.0	-49.36	307.34	2.80	-46.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010809929	0	37	-1.0	-53.69	322.11	5.81	-47.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010809930	0	34	-1.0	-47.46	306.29	4.85	-42.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010809931	0	42	-1.0	-54.58	349.84	5.72	-48.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N=S1(=O)CCCC1	REAL300010809932	0	36	-1.0	-71.73	301.91	3.16	-68.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010809933	0	35	-1.0	-40.66	308.97	5.78	-34.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(Br)SC=N1	REAL300010809934	0	31	-1.0	-44.80	295.50	3.31	-41.49
CCS(=O)(CC)=NS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809935	0	38	-1.0	-64.16	311.80	2.49	-61.67
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C([N+](=O)[O-])S1	REAL300010809936	0	34	-1.0	-60.88	297.14	6.00	-54.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010809937	0	40	-1.0	-44.21	317.76	4.17	-40.04
CCN1CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CC1=O	REAL300010809938	0	39	-1.0	-47.36	313.55	3.57	-43.79
CCOC(=O)C1(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)CCC1	REAL300010809939	0	41	-1.0	-58.23	319.47	5.63	-52.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010809940	0	43	-1.0	-47.31	355.12	2.16	-45.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010809941	0	33	-1.0	-46.89	311.79	4.06	-42.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010809942	0	35	-1.0	-50.48	314.22	6.10	-44.38
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010809943	0	35	-1.0	-41.39	283.30	3.00	-38.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010809944	0	42	-1.0	-44.01	324.07	5.05	-38.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC=C1Br	REAL300010809945	0	29	-1.0	-41.41	264.46	3.89	-37.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010809946	0	44	-1.0	-53.73	335.25	5.16	-48.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010809947	0	42	-1.0	-46.83	329.70	5.64	-41.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010809948	0	35	-1.0	-47.43	292.30	3.64	-43.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1Br	REAL300010809949	0	32	-1.0	-53.05	281.41	2.80	-50.25
COC1=CC=C(F)C=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809950	0	39	-1.0	-46.17	325.77	5.07	-41.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010809951	0	46	-1.0	-56.36	374.47	7.14	-49.22
C=CCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300010809952	0	42	-1.0	-44.27	344.61	7.69	-36.58
COC(=O)C1=CNN=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809953	0	35	-1.0	-62.37	298.44	2.54	-59.83
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809954	0	35	-1.0	-46.62	307.11	6.46	-40.16
CCC1=NN(C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809955	0	38	-1.0	-47.32	303.70	4.26	-43.06
CC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300010809956	0	37	-1.0	-52.38	311.55	5.45	-46.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010809957	0	41	-1.0	-79.60	337.60	3.98	-75.62
CCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)C	REAL300010809958	0	54	-1.0	-49.32	419.50	8.80	-40.52
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C#N)=C1	REAL300010809959	0	36	-1.0	-59.73	292.22	5.40	-54.33
CC1=CC=CC(C#N)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809960	0	36	-1.0	-59.77	291.14	5.91	-53.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010809961	0	35	-1.0	-47.72	303.21	5.87	-41.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010809962	0	43	-1.0	-55.10	343.25	5.19	-49.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010809963	0	36	-1.0	-57.27	321.45	7.78	-49.49
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(C)(C)C	REAL300010809964	0	54	-1.0	-49.56	410.55	8.69	-40.87
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1CC	REAL300010809965	0	48	-1.0	-49.80	381.18	7.47	-42.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010809966	0	39	-1.0	-64.16	332.88	7.85	-56.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809967	0	38	-1.0	-41.22	305.10	6.78	-34.44
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809968	0	46	-1.0	-63.97	356.53	4.52	-59.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010809969	0	35	-1.0	-42.86	322.73	6.66	-36.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010809970	0	35	-1.0	-43.30	313.61	6.26	-37.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010809971	0	42	-1.0	-45.89	349.36	6.88	-39.01
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809972	0	38	-1.0	-40.87	328.14	6.84	-34.03
CC1=CN=C(Cl)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809973	0	34	-1.0	-51.86	284.73	3.81	-48.05
COC1=CC=C(Br)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1F	REAL300010809974	0	36	-1.0	-54.29	312.60	5.11	-49.18
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809975	0	42	-1.0	-41.74	343.20	7.16	-34.58
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC(C)(C)C1CC1	REAL300010809976	0	44	-1.0	-41.30	331.53	6.37	-34.93
CCOC(=O)C1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)N(C)N=C1	REAL300010809977	0	41	-1.0	-53.20	333.63	4.86	-48.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010809978	0	36	-1.0	-45.15	313.55	6.51	-38.64
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCC1=CC=CC=C1	REAL300010809979	0	41	-1.0	-42.32	334.00	7.22	-35.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010809980	0	37	-1.0	-55.00	301.43	1.92	-53.08
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C(C(N)=O)O1	REAL300010809981	0	36	-1.0	-52.00	297.01	0.27	-51.73
CCCC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809982	0	41	-1.0	-60.74	322.03	8.32	-52.42
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(=O)OC	REAL300010809983	0	44	-1.0	-54.51	372.16	6.58	-47.93
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809984	0	45	-1.0	-50.11	366.91	6.38	-43.73
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010809985	0	41	-1.0	-45.66	329.56	5.65	-40.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC=C1C(F)F	REAL300010809986	0	32	-1.0	-61.48	284.92	5.95	-55.53
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010809987	0	38	-1.0	-43.79	318.92	6.51	-37.28
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809988	0	48	-1.0	-52.24	378.77	7.68	-44.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010809989	0	37	-1.0	-57.41	293.49	4.91	-52.50
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300010809990	0	52	-1.0	-58.96	392.18	7.40	-51.56
COC(=O)C1=CN(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300010809991	0	39	-1.0	-55.62	327.45	5.11	-50.51
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C(C#N)SC=C1	REAL300010809992	0	30	-1.0	-57.39	266.93	3.92	-53.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010809993	0	46	-1.0	-51.94	362.17	5.04	-46.90
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010809994	0	47	-1.0	-68.18	377.34	7.61	-60.57
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C21	REAL300010809995	0	46	-1.0	-63.19	367.36	6.91	-56.28
COC1=NC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300010809996	0	35	-1.0	-54.09	286.06	2.25	-51.84
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010809997	0	39	-1.0	-47.05	312.05	4.97	-42.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010809998	0	39	-1.0	-47.59	312.30	4.93	-42.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010809999	0	42	-1.0	-46.74	329.10	5.31	-41.43
COC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300010810000	0	44	-1.0	-50.53	347.85	7.36	-43.17
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1F	REAL300010810735	0	38	-1.0	-46.31	301.26	4.34	-41.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010810736	0	38	-1.0	-45.94	327.41	5.20	-40.74
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810737	0	46	-1.0	-48.56	352.78	5.58	-42.98
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810738	0	39	-1.0	-60.37	337.59	7.01	-53.36
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810739	0	38	-1.0	-61.64	321.14	3.55	-58.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810740	0	39	-1.0	-52.81	318.25	6.32	-46.49
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010810741	0	36	-1.0	-45.76	314.79	5.17	-40.59
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010810742	0	31	-1.0	-50.66	292.85	5.75	-44.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010810743	0	33	-1.0	-71.44	282.35	6.41	-65.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010810744	0	28	-1.0	-51.86	269.46	3.39	-48.47
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300010810745	0	41	-1.0	-63.68	320.13	5.55	-58.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010810746	0	33	-1.0	-57.56	293.29	5.32	-52.24
COC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810747	0	35	-1.0	-52.13	315.87	4.58	-47.55
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1C	REAL300010810748	0	41	-1.0	-44.32	346.32	5.68	-38.64
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010810749	0	44	-1.0	-50.18	373.11	5.71	-44.47
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300010810750	0	38	-1.0	-52.36	326.31	2.37	-49.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010810751	0	43	-1.0	-46.26	347.20	6.13	-40.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010810752	0	31	-1.0	-57.39	277.82	5.34	-52.05
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Cl)=N1	REAL300010810753	0	33	-1.0	-52.40	284.85	3.56	-48.84
COC1=CC(C#N)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810754	0	36	-1.0	-55.56	308.31	4.93	-50.63
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010810755	0	38	-1.0	-54.77	322.72	6.36	-48.41
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810756	0	35	-1.0	-45.71	318.24	6.13	-39.58
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810757	0	33	-1.0	-50.12	304.37	5.03	-45.09
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010810758	0	41	-1.0	-66.66	347.52	1.24	-65.42
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN=C1Cl	REAL300010810759	0	34	-1.0	-49.87	305.92	2.62	-47.25
CCN1C(=O)OC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C21	REAL300010810760	0	40	-1.0	-57.98	341.01	5.62	-52.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010810761	0	46	-1.0	-53.23	378.82	5.09	-48.14
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010810762	0	30	-1.0	-53.71	286.24	4.42	-49.29
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810763	0	49	0.0	-70.64	376.46	5.78	-64.86
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810764	0	37	-1.0	-44.45	311.99	6.07	-38.38
CC1=CC(Br)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810765	0	34	-1.0	-50.96	294.41	5.73	-45.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010810766	0	35	-1.0	-48.50	291.32	4.39	-44.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010810767	0	31	-1.0	-53.12	286.67	5.18	-47.94
COC1=CC=CC(OC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810768	0	39	-1.0	-62.93	318.39	5.16	-57.77
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300010810769	0	58	-1.0	-54.69	452.41	9.27	-45.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010810770	0	40	-1.0	-55.50	325.93	6.04	-49.46
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810771	0	45	-1.0	-59.46	377.95	5.78	-53.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010810772	0	32	-1.0	-41.79	285.46	5.12	-36.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010810773	0	34	-1.0	-54.52	309.03	3.73	-50.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010810774	0	46	-1.0	-69.40	370.70	5.55	-63.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010810775	0	37	-1.0	-43.30	330.17	7.53	-35.77
COC(=O)CCCCCS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810776	0	42	-1.0	-44.40	345.37	5.48	-38.92
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010810777	0	36	-1.0	-52.12	309.43	3.79	-48.33
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810778	0	39	-1.0	-58.49	332.25	2.87	-55.62
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010810780	0	34	-1.0	-48.52	320.55	6.17	-42.35
COC1=C(F)C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810781	0	37	-1.0	-47.60	328.55	5.48	-42.12
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810782	0	41	-1.0	-40.48	353.74	4.01	-36.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010810783	0	42	-1.0	-54.27	361.94	6.47	-47.80
COC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810784	0	41	-1.0	-44.07	336.26	5.43	-38.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010810785	0	46	-1.0	-60.19	379.41	6.06	-54.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010810786	0	34	-1.0	-54.26	303.00	3.56	-50.70
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010810787	0	42	-1.0	-57.80	346.27	5.98	-51.82
CC1=CC=NC2=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=CC=C12	REAL300010810788	0	39	-1.0	-51.78	313.98	6.39	-45.39
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(OC)C=C1Br	REAL300010810789	0	39	-1.0	-45.01	334.41	4.51	-40.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010810790	0	34	-1.0	-55.41	297.25	5.52	-49.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010810791	0	34	-1.0	-52.63	304.10	5.56	-47.07
CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810792	0	34	-1.0	-52.88	307.80	5.93	-46.95
CSC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810793	0	35	-1.0	-45.83	288.15	5.27	-40.56
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300010810794	0	38	-1.0	-54.70	339.07	4.31	-50.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010810795	0	42	-1.0	-75.77	347.50	4.47	-71.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010810796	0	43	-1.0	-61.35	356.95	4.41	-56.94
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010810797	0	37	-1.0	-42.95	343.49	2.79	-40.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010810798	0	39	-1.0	-51.42	334.52	5.95	-45.47
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810799	0	41	-1.0	-40.48	353.74	4.01	-36.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010810800	0	39	-1.0	-55.48	316.18	5.04	-50.44
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(OC)=C1	REAL300010810801	0	41	-1.0	-56.27	342.25	5.19	-51.08
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=CS1	REAL300010810802	0	37	-1.0	-62.60	312.22	5.55	-57.05
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1F	REAL300010810803	0	35	-1.0	-41.84	298.77	4.04	-37.80
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810804	0	42	-1.0	-59.25	338.64	5.08	-54.17
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810805	0	45	-1.0	-60.41	370.49	5.80	-54.61
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010810806	0	45	-1.0	-45.24	370.28	8.08	-37.16
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810807	0	39	-1.0	-50.77	327.24	6.53	-44.24
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010810808	0	31	-1.0	-38.93	299.04	5.58	-33.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010810809	0	43	0.0	-62.93	341.47	6.57	-56.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010810810	0	39	-1.0	-46.18	314.13	5.04	-41.14
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C2O1	REAL300010810811	0	46	-1.0	-52.18	388.79	7.34	-44.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810812	0	43	-1.0	-41.46	343.31	6.58	-34.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010810813	0	31	-1.0	-39.08	286.70	5.28	-33.80
CC1=C(Cl)SC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810814	0	31	-1.0	-50.85	294.05	4.88	-45.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010810815	0	37	-1.0	-54.10	309.76	5.14	-48.96
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810816	0	35	-1.0	-56.71	294.84	3.86	-52.85
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300010810817	0	39	-1.0	-54.27	314.36	7.54	-46.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010810818	0	37	-1.0	-43.71	324.05	6.46	-37.25
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810819	0	41	-1.0	-46.40	344.18	7.19	-39.21
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810820	0	34	-1.0	-36.21	294.31	5.68	-30.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010810821	0	36	-1.0	-45.74	304.20	5.01	-40.73
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810822	0	37	-1.0	-58.31	315.61	6.08	-52.23
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810823	0	39	-1.0	-44.72	316.98	6.34	-38.38
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010810824	0	31	-1.0	-40.73	283.59	5.36	-35.37
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810825	0	41	-1.0	-46.40	344.18	7.19	-39.21
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010810826	0	30	-1.0	-46.88	282.81	3.34	-43.54
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010810827	0	31	-1.0	-41.46	299.16	5.73	-35.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010810828	0	42	-1.0	-49.78	361.61	4.48	-45.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010810829	0	31	-1.0	-52.11	285.86	5.05	-47.06
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810830	0	41	-1.0	-58.17	323.62	6.25	-51.92
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810831	0	37	-1.0	-54.88	324.38	5.34	-49.54
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810832	0	35	-1.0	-57.39	302.72	5.04	-52.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010810833	0	32	-1.0	-45.54	290.95	3.45	-42.09
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010810834	0	44	-1.0	-43.38	350.25	7.91	-35.47
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010810835	0	42	-1.0	-47.35	343.45	5.36	-41.99
CC(C)N(CC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010810836	0	48	-1.0	-45.22	347.65	10.07	-35.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010810837	0	45	-1.0	-46.22	347.77	6.36	-39.86
COC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810838	0	38	-1.0	-42.29	296.20	4.30	-37.99
COC(=O)C1=CN=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810839	0	36	-1.0	-47.00	313.03	3.51	-43.49
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010810840	0	32	-1.0	-41.37	303.53	5.56	-35.81
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010810841	0	33	-1.0	-39.38	305.33	5.77	-33.61
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810842	0	38	-1.0	-39.43	312.67	4.86	-34.57
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810843	0	37	-1.0	-50.59	339.92	5.43	-45.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010810844	0	38	-1.0	-55.27	313.86	4.48	-50.79
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810845	0	39	-1.0	-44.55	323.34	3.93	-40.62
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010810846	0	35	-1.0	-53.40	310.54	4.30	-49.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010810847	0	34	-1.0	-37.61	307.37	5.72	-31.89
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300010810848	0	42	-1.0	-48.77	354.38	1.75	-47.02
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C2S1	REAL300010810849	0	43	-1.0	-54.72	379.71	7.71	-47.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010810850	0	37	-1.0	-67.50	322.00	4.35	-63.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010810851	0	36	-1.0	-59.58	321.85	0.27	-59.31
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810852	0	37	-1.0	-55.80	320.07	5.22	-50.58
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810853	0	39	-1.0	-50.83	327.68	6.01	-44.82
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(Br)=C1	REAL300010810854	0	35	-1.0	-52.66	301.13	4.22	-48.44
CC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C)OCO2	REAL300010810855	0	37	-1.0	-52.88	299.09	3.76	-49.12
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010810856	0	37	-1.0	-52.21	330.99	5.76	-46.45
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810857	0	37	-1.0	-44.21	305.63	5.82	-38.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010810858	0	31	-1.0	-49.88	284.77	5.31	-44.57
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810859	0	37	-1.0	-50.32	292.82	6.02	-44.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010810860	0	31	-1.0	-40.07	285.64	5.43	-34.64
COC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C)OCC(=O)N2	REAL300010810861	0	41	-1.0	-48.16	335.19	1.77	-46.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010810862	0	33	-1.0	-37.39	303.61	5.55	-31.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010810863	0	31	-1.0	-49.75	289.56	5.85	-43.90
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010810864	0	32	-1.0	-60.91	285.94	3.12	-57.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010810865	0	31	-1.0	-42.49	283.55	5.11	-37.38
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300010810866	0	41	-1.0	-44.75	345.12	5.37	-39.38
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010810867	0	31	-1.0	-49.72	288.40	5.43	-44.29
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010810868	0	34	-1.0	-41.48	301.99	5.86	-35.62
CC(=O)NC1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810869	0	34	-1.0	-54.72	308.20	2.16	-52.56
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300010810869	1	33	-2.0	-104.77	304.89	1.04	-103.73
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010810870	0	34	-1.0	-41.44	306.56	5.97	-35.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010810871	0	35	-1.0	-56.43	316.32	1.94	-54.49
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810872	0	40	-1.0	-69.73	331.24	7.26	-62.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010810873	0	35	-1.0	-56.20	320.89	2.05	-54.15
CCOC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810874	0	38	-1.0	-56.87	316.42	4.88	-51.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010810875	0	42	-1.0	-61.58	338.81	6.00	-55.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010810876	0	35	-1.0	-37.10	319.71	5.83	-31.27
COCCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810877	0	40	-1.0	-55.00	327.43	3.05	-51.95
COC1=CC=C(Br)C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810878	0	38	-1.0	-58.06	335.07	5.23	-52.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010810879	0	34	-1.0	-44.55	276.43	3.45	-41.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010810880	0	32	-1.0	-42.12	287.56	4.98	-37.14
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810881	0	37	-1.0	-50.51	311.86	6.11	-44.40
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810882	0	48	-1.0	-46.45	399.80	4.37	-42.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010810883	0	37	-1.0	-62.21	316.30	5.80	-56.41
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810884	0	41	-1.0	-66.16	346.70	2.04	-64.12
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010810885	0	31	-1.0	-54.06	284.02	5.40	-48.66
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2CC1	REAL300010810886	0	48	-1.0	-59.54	376.86	6.58	-52.96
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010810887	0	40	-1.0	-47.23	347.98	6.13	-41.10
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1OC	REAL300010810888	0	41	-1.0	-50.97	353.94	6.30	-44.67
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810889	0	40	-1.0	-44.23	329.06	6.94	-37.29
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810890	0	40	-1.0	-43.83	324.88	6.65	-37.18
CNC(=O)C1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810891	0	41	-1.0	-62.27	345.35	3.66	-58.61
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810892	0	45	-1.0	-58.17	370.48	6.01	-52.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010810893	0	31	-1.0	-42.01	279.66	5.02	-36.99
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010810894	0	40	-1.0	-41.13	352.03	6.47	-34.66
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010810895	0	40	-1.0	-66.81	326.26	1.82	-64.99
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1OC	REAL300010810896	0	42	-1.0	-55.09	355.60	4.47	-50.62
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010810897	0	43	-1.0	-43.65	355.52	6.62	-37.03
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810898	0	45	-1.0	-65.49	376.61	2.85	-62.64
COCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810899	0	42	-1.0	-60.21	341.08	4.25	-55.96
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810900	0	44	-1.0	-63.61	362.51	6.10	-57.51
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1C	REAL300010810901	0	43	-1.0	-46.80	355.72	6.76	-40.04
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010810902	0	34	-1.0	-44.47	291.97	5.74	-38.73
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810903	0	43	-1.0	-47.45	361.86	7.03	-40.42
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810904	0	37	-1.0	-57.38	334.05	6.77	-50.61
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010810905	0	34	-1.0	-41.30	297.14	6.10	-35.20
CC(COC1CCCC1)CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810906	0	47	-1.0	-40.44	362.32	5.99	-34.45
CC1=C(CCS(=O)(=O)N(CC(=O)[O-])C(C)C)SC=N1	REAL300010810907	0	36	-1.0	-56.41	313.90	3.88	-52.53
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010810908	0	37	-1.0	-55.88	327.11	6.66	-49.22
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810909	0	40	-1.0	-47.04	339.51	6.07	-40.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010810910	0	41	-1.0	-57.40	339.27	8.07	-49.33
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010810911	0	34	-1.0	-56.58	305.66	5.94	-50.64
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1C	REAL300010810912	0	43	-1.0	-43.17	365.30	5.86	-37.31
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010810913	0	37	-1.0	-43.68	333.57	2.59	-41.09
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010810914	0	35	-1.0	-57.64	312.56	5.51	-52.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010810915	0	34	-1.0	-44.47	295.22	5.53	-38.94
CC1=NC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810916	0	33	-1.0	-51.87	291.26	4.09	-47.78
CC1=NC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(Br)N1C	REAL300010810917	0	34	-1.0	-58.78	307.65	4.09	-54.69
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010810918	0	32	-1.0	-43.00	286.46	3.52	-39.48
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810919	0	44	-1.0	-65.81	359.03	5.51	-60.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010810920	0	34	-2.0	-99.33	301.38	4.31	-95.02
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010810920	1	35	-1.0	-41.50	302.58	4.11	-37.39
CC(C)N(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010810921	0	48	-1.0	-53.39	406.40	5.04	-48.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010810922	0	32	-1.0	-38.01	303.36	5.42	-32.59
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810923	0	42	-1.0	-48.38	355.54	4.09	-44.29
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300010810924	0	46	-1.0	-42.89	375.98	7.48	-35.41
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810925	0	43	-1.0	-51.54	366.69	3.88	-47.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010810926	0	36	-1.0	-47.24	309.42	1.85	-45.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010810927	0	30	-1.0	-47.14	296.38	3.85	-43.29
COCC1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810928	0	38	-1.0	-53.49	336.88	4.88	-48.61
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300010810929	0	37	-1.0	-40.90	317.47	6.17	-34.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010810930	0	42	-1.0	-51.96	370.48	8.02	-43.94
COC(=O)CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810931	0	40	-1.0	-60.49	342.02	6.09	-54.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010810932	0	33	-1.0	-62.11	291.96	4.42	-57.69
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010810933	0	37	-1.0	-57.61	326.57	6.59	-51.02
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])C(C)C)CCC1	REAL300010810934	0	40	-1.0	-43.25	324.26	5.02	-38.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010810935	0	31	-1.0	-38.01	295.77	4.86	-33.15
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010810936	0	35	-1.0	-57.21	313.59	5.66	-51.55
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1I	REAL300010810937	0	34	-1.0	-41.27	308.40	6.30	-34.97
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810938	0	44	-1.0	-59.27	374.93	5.02	-54.25
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810939	0	47	-1.0	-58.87	396.79	5.95	-52.92
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN=C1C	REAL300010810940	0	39	-1.0	-50.11	331.31	4.00	-46.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010810941	0	35	-1.0	-41.88	308.68	4.30	-37.58
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810942	0	40	-1.0	-53.82	358.45	6.74	-47.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010810943	0	32	-1.0	-42.44	289.74	5.09	-37.35
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010810944	0	47	-1.0	-50.69	394.61	6.49	-44.20
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010810945	0	33	-1.0	-47.76	303.76	4.04	-43.72
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010810946	0	40	-1.0	-53.82	329.91	6.26	-47.56
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010810947	0	32	-1.0	-56.49	295.40	4.03	-52.46
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010810948	0	37	-1.0	-59.58	321.05	6.24	-53.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010810949	0	34	-1.0	-59.68	306.04	3.43	-56.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010810950	0	33	-1.0	-40.01	295.04	6.44	-33.57
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010810951	0	40	-1.0	-43.68	333.68	5.69	-37.99
CC1=CC2=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C2N=C1Cl	REAL300010810952	0	39	-1.0	-47.05	339.53	6.04	-41.01
CC(C)N(CC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010810953	0	41	-1.0	-44.46	340.79	5.40	-39.06
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300010810954	0	58	-1.0	-54.09	418.65	10.43	-43.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010810955	0	36	-1.0	-47.89	310.63	6.27	-41.62
CCOC(=O)C1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810956	0	43	-1.0	-59.26	365.55	6.96	-52.30
COC(=O)C1=NC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810957	0	36	-1.0	-67.46	305.49	4.53	-62.93
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810958	0	38	-1.0	-51.46	333.31	4.95	-46.51
COC1=CC=C2C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)CCC2=C1	REAL300010810959	0	43	-1.0	-45.92	341.75	6.22	-39.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010810960	0	39	-1.0	-53.26	325.60	5.62	-47.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010810961	0	34	-1.0	-44.05	299.33	5.13	-38.92
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010810962	0	34	-1.0	-54.11	315.76	6.70	-47.41
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810963	0	45	-1.0	-62.42	381.85	2.96	-59.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810963	1	44	-2.0	-102.51	378.60	3.04	-99.47
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010810964	0	34	-1.0	-39.09	312.28	6.02	-33.07
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010810965	0	40	-1.0	-50.92	345.95	2.87	-48.05
CC1=CC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2C=C1	REAL300010810966	0	40	-1.0	-47.22	330.26	7.58	-39.64
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810967	0	40	-1.0	-52.64	341.69	6.18	-46.46
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010810968	0	46	-1.0	-53.78	384.63	5.21	-48.57
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300010810969	0	44	-1.0	-60.87	361.05	5.01	-55.86
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010810970	0	34	-1.0	-58.22	307.67	5.85	-52.37
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010810971	0	37	-1.0	-56.17	309.10	6.71	-49.46
CCC1=CC(CC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(CC)=C1	REAL300010810972	0	49	-1.0	-53.76	358.01	8.81	-44.95
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300010810973	0	50	-1.0	-52.07	406.58	5.43	-46.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010810974	0	38	-1.0	-45.97	319.04	4.43	-41.54
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010810975	0	33	-1.0	-47.69	311.22	4.57	-43.12
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810976	0	39	-1.0	-47.29	330.02	4.41	-42.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010810977	0	39	-1.0	-52.28	336.24	3.22	-49.06
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010810978	0	36	-1.0	-60.61	319.31	-0.39	-61.00
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010810979	0	42	-1.0	-59.82	334.75	1.74	-58.08
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300010810980	0	35	-1.0	-41.71	308.57	4.52	-37.19
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010810981	0	34	-1.0	-54.21	297.03	2.06	-52.15
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810982	0	44	-1.0	-61.29	362.64	5.71	-55.58
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300010810983	0	40	-1.0	-53.05	330.54	7.48	-45.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010810984	0	35	-1.0	-54.85	301.96	4.85	-50.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010810985	0	35	-1.0	-54.47	312.29	5.31	-49.16
COC(=O)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300010810986	0	40	-1.0	-49.72	345.46	6.15	-43.57
COC(CC1=CC=CC=C1)CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810987	0	44	-1.0	-44.30	352.29	6.54	-37.76
COC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810988	0	35	-1.0	-58.03	292.39	4.59	-53.44
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010810989	0	34	-1.0	-56.49	323.67	6.43	-50.06
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010810990	0	34	-1.0	-55.56	322.32	6.44	-49.12
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010810991	0	34	-1.0	-48.54	304.68	3.75	-44.79
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010810992	0	39	-1.0	-50.57	325.50	6.49	-44.08
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300010810993	0	47	-1.0	-48.33	360.99	6.88	-41.45
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010810994	0	38	-1.0	-55.86	340.52	7.04	-48.82
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010810995	0	38	-1.0	-62.44	331.12	6.54	-55.90
COC1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300010810996	0	34	-1.0	-41.84	306.33	1.90	-39.94
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300010810997	0	40	-1.0	-55.20	341.93	6.15	-49.05
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300010810998	0	40	-1.0	-53.19	358.57	6.30	-46.89
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010810999	0	34	-1.0	-56.92	305.61	5.89	-51.03
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300010811000	0	34	-1.0	-41.46	298.51	5.76	-35.70
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1F	REAL300010813363	0	38	-1.0	-52.59	311.60	4.31	-48.28
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010813364	0	38	-1.0	-53.08	331.64	5.48	-47.60
COC(=O)C1CCCCC1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813365	0	43	-1.0	-53.66	333.95	5.80	-47.86
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813366	0	46	-1.0	-50.24	359.30	5.99	-44.25
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813367	0	39	-1.0	-51.99	343.62	7.37	-44.62
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813368	0	38	-1.0	-55.96	323.65	3.81	-52.15
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813369	0	39	-1.0	-49.45	324.17	6.42	-43.03
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010813370	0	36	-1.0	-52.59	321.99	5.09	-47.50
CC(CN(C)S(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010813371	0	31	-1.0	-45.96	295.88	6.08	-39.88
CC(CN(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813372	0	33	-1.0	-60.44	286.89	6.70	-53.74
CC(CN(C)S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010813373	0	28	-1.0	-47.92	270.18	3.68	-44.24
CC(CN(C)S(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010813374	0	41	-1.0	-56.30	324.00	5.49	-50.81
CC(CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813375	0	33	-1.0	-58.81	294.60	5.09	-53.72
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813376	0	35	-1.0	-46.98	316.60	4.88	-42.10
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1C	REAL300010813377	0	41	-1.0	-48.36	349.99	5.44	-42.92
CC(CN(C)S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010813378	0	44	-1.0	-60.38	379.68	5.57	-54.81
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300010813379	0	38	-1.0	-50.36	328.53	2.65	-47.71
CC(CN(C)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010813380	0	43	-1.0	-52.24	350.47	5.89	-46.35
CC(CN(C)S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010813381	0	31	-1.0	-50.22	279.56	5.10	-45.12
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(Cl)=N1	REAL300010813382	0	33	-1.0	-47.17	293.10	3.87	-43.30
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813383	0	36	-1.0	-48.64	309.04	5.20	-43.44
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010813384	0	38	-1.0	-53.57	328.94	6.16	-47.41
CSC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813385	0	35	-1.0	-52.13	321.58	5.90	-46.23
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813386	0	33	-1.0	-45.46	306.58	5.31	-40.15
CC(CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010813387	0	41	-1.0	-60.95	352.53	1.05	-59.90
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN=C1Cl	REAL300010813388	0	34	-1.0	-47.53	310.50	2.53	-45.00
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300010813389	0	40	-1.0	-53.97	342.61	5.94	-48.03
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010813390	0	46	-1.0	-47.13	380.12	4.86	-42.27
CC(CN(C)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813391	0	30	-1.0	-54.91	287.80	4.20	-50.71
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813392	0	49	0.0	-79.26	382.11	6.15	-73.11
CC1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813393	0	37	-1.0	-54.65	319.48	5.93	-48.72
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813394	0	34	-1.0	-44.59	302.45	5.80	-38.79
CC(CN(C)S(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010813395	0	35	-1.0	-51.58	299.51	4.37	-47.21
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010813396	0	31	-1.0	-48.12	287.40	5.49	-42.63
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813397	0	39	-1.0	-54.71	320.70	5.31	-49.40
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300010813398	0	58	-1.0	-49.77	453.13	9.57	-40.20
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010813399	0	40	-1.0	-51.30	328.27	5.87	-45.43
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813400	0	45	-1.0	-57.09	382.57	5.64	-51.45
CC(CN(C)S(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010813401	0	32	-1.0	-52.95	296.78	5.23	-47.72
CC(CN(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010813402	0	34	-1.0	-49.66	310.64	4.03	-45.63
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010813403	0	46	-1.0	-56.26	374.37	6.01	-50.25
CC(CN(C)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010813404	0	37	-1.0	-48.71	334.43	7.33	-41.38
COC(=O)CCCCCS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813405	0	42	-1.0	-56.49	351.87	5.32	-51.17
CC(CN(C)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010813406	0	36	-1.0	-47.94	310.17	4.09	-43.85
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813407	0	39	-1.0	-53.03	334.47	3.15	-49.88
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813409	0	34	-1.0	-43.91	322.14	6.49	-37.42
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813410	0	42	-1.0	-58.35	346.61	3.76	-54.59
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813411	0	36	-1.0	-47.17	321.56	6.10	-41.07
COC1=C(F)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813412	0	37	-1.0	-44.57	329.28	5.79	-38.78
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813413	0	41	-1.0	-47.26	358.15	3.83	-43.43
CC(CN(C)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813414	0	42	-1.0	-65.86	366.18	6.26	-59.60
COC1=CC=C(CCS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813415	0	41	-1.0	-52.84	343.76	5.30	-47.54
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010813416	0	46	-1.0	-59.53	386.26	5.99	-53.54
CC(CN(C)S(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010813417	0	34	-1.0	-48.66	304.88	3.80	-44.86
CC(CN(C)S(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010813418	0	42	-1.0	-53.17	349.22	5.80	-47.37
CC1=CC=NC2=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=CC=C12	REAL300010813419	0	39	-1.0	-54.62	321.76	6.21	-48.41
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010813420	0	39	-1.0	-51.33	341.94	4.40	-46.93
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010813421	0	34	-1.0	-53.86	299.47	5.32	-48.54
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010813422	0	34	-1.0	-48.00	304.83	5.87	-42.13
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813423	0	34	-1.0	-47.48	308.51	6.24	-41.24
CSC1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813424	0	35	-1.0	-51.80	299.90	5.50	-46.30
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300010813425	0	38	-1.0	-54.49	340.53	4.08	-50.41
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010813426	0	42	-1.0	-63.40	355.55	4.89	-58.51
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010813427	0	43	-1.0	-52.52	361.60	4.77	-47.75
CC(CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010813428	0	37	-1.0	-48.95	348.56	3.10	-45.85
CC(CN(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010813429	0	39	-1.0	-50.78	338.34	5.81	-44.97
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813430	0	41	-1.0	-47.26	358.15	3.83	-43.43
CC(CN(C)S(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010813431	0	39	-1.0	-51.16	317.90	4.83	-46.33
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010813432	0	34	-1.0	-50.53	314.43	5.76	-44.77
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(OC)=C1	REAL300010813433	0	41	-1.0	-50.01	343.86	5.47	-44.54
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=CS1	REAL300010813434	0	37	-1.0	-54.38	313.96	5.64	-48.74
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1F	REAL300010813435	0	35	-1.0	-47.52	303.01	3.83	-43.69
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813436	0	42	-1.0	-54.12	351.75	4.58	-49.54
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813437	0	45	-1.0	-56.15	379.49	5.77	-50.38
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010813438	0	45	-1.0	-53.41	373.39	7.82	-45.59
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813439	0	39	-1.0	-59.41	342.76	6.86	-52.55
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010813440	0	31	-1.0	-49.11	305.97	5.54	-43.57
CC(CN(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010813441	0	43	0.0	-74.05	345.65	6.36	-67.69
CC(CN(C)S(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010813442	0	39	-1.0	-49.53	319.78	5.36	-44.17
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C2O1	REAL300010813443	0	46	-1.0	-51.29	388.89	7.08	-44.21
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813444	0	43	-1.0	-51.98	352.72	6.53	-45.45
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010813445	0	31	-1.0	-51.61	297.04	5.35	-46.26
CC1=C(Cl)SC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813446	0	31	-1.0	-46.15	295.67	5.20	-40.95
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010813447	0	37	-1.0	-49.83	313.02	5.45	-44.38
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813448	0	35	-1.0	-51.47	296.44	4.18	-47.29
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010813449	0	39	-1.0	-61.30	321.25	7.64	-53.66
CC(CN(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010813450	0	37	-1.0	-49.91	329.09	6.76	-43.15
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010813451	0	41	-1.0	-42.72	346.50	7.31	-35.41
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813452	0	34	-1.0	-46.49	304.16	5.65	-40.84
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010813453	0	36	-1.0	-55.25	310.81	4.93	-50.32
CC1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813454	0	37	-1.0	-52.58	319.79	5.92	-46.66
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813455	0	39	-1.0	-52.21	321.16	6.30	-45.91
CC(CN(C)S(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010813456	0	31	-1.0	-46.41	296.95	5.79	-40.62
CC(CN(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813457	0	33	-1.0	-52.47	317.08	7.08	-45.39
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010813458	0	41	-1.0	-42.72	346.50	7.31	-35.41
CC(CN(C)S(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010813459	0	30	-1.0	-47.63	288.76	3.18	-44.45
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010813460	0	31	-1.0	-48.64	302.51	5.50	-43.14
CC(CN(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010813461	0	42	-1.0	-46.81	362.31	4.78	-42.03
CC(CN(C)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010813462	0	31	-1.0	-46.92	290.59	5.28	-41.64
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813463	0	41	-1.0	-50.41	326.87	6.42	-43.99
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813464	0	37	-1.0	-47.07	326.58	5.13	-41.94
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813465	0	35	-1.0	-50.96	307.73	4.92	-46.04
CC(CN(C)S(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813466	0	32	-1.0	-48.25	296.05	3.31	-44.94
CC(CN(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010813467	0	44	-1.0	-53.34	357.73	7.90	-45.44
CC(CN(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010813468	0	42	-1.0	-57.50	350.79	5.18	-52.32
CC(CN(C)C(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010813469	0	48	-1.0	-56.23	359.65	10.36	-45.87
CC(CN(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010813470	0	45	-1.0	-52.09	356.57	6.38	-45.71
COC1=CC=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813471	0	38	-1.0	-55.51	306.36	4.35	-51.16
COC(=O)C1=CN=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813472	0	36	-1.0	-54.47	317.27	3.32	-51.15
CC(CN(C)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010813473	0	32	-1.0	-50.47	307.77	5.34	-45.13
CC(CN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010813474	0	33	-1.0	-47.65	314.69	5.82	-41.83
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813475	0	38	-1.0	-53.76	322.39	4.90	-48.86
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813476	0	37	-1.0	-46.00	351.90	5.70	-40.30
CC(CN(C)S(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010813477	0	38	-1.0	-50.39	315.14	4.66	-45.73
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300010813478	0	39	-1.0	-52.96	334.55	4.02	-48.94
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010813479	0	35	-1.0	-51.76	311.86	4.07	-47.69
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010813480	0	34	-1.0	-44.12	311.61	5.51	-38.61
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813481	0	42	-1.0	-53.06	357.68	1.51	-51.55
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C2S1	REAL300010813482	0	43	-1.0	-53.31	380.33	7.43	-45.88
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010813483	0	37	-1.0	-56.12	330.54	4.58	-51.54
CC(CN(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010813484	0	36	-1.0	-53.88	322.57	0.56	-53.32
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813485	0	37	-1.0	-51.76	321.67	5.54	-46.22
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813486	0	39	-1.0	-57.72	338.13	6.10	-51.62
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(Br)=C1	REAL300010813487	0	35	-1.0	-46.39	307.54	4.51	-41.88
CC1=CC2=C(C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-])OCO2	REAL300010813488	0	37	-1.0	-46.07	301.61	3.89	-42.18
CC(CN(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010813489	0	37	-1.0	-47.21	336.71	6.02	-41.19
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813490	0	37	-1.0	-46.94	313.52	5.74	-41.20
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010813491	0	31	-1.0	-44.06	292.58	5.61	-38.45
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813492	0	37	-1.0	-46.01	292.58	5.80	-40.21
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010813493	0	31	-1.0	-49.73	294.34	5.41	-44.32
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-])OCC(=O)N2	REAL300010813494	0	41	-1.0	-54.25	342.74	1.66	-52.59
CC(CN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010813495	0	33	-1.0	-45.11	310.49	6.04	-39.07
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010813496	0	33	-1.0	-47.67	309.45	5.47	-42.20
CC(CN(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010813497	0	31	-1.0	-47.41	292.91	5.65	-41.76
CC(CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010813498	0	32	-1.0	-54.43	287.55	3.43	-51.00
CC(CN(C)S(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010813499	0	31	-1.0	-46.96	288.03	5.44	-41.52
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300010813500	0	41	-1.0	-49.90	348.44	5.13	-44.77
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010813501	0	31	-1.0	-43.89	294.81	5.72	-38.17
CC(CN(C)S(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010813502	0	34	-1.0	-49.01	306.76	5.68	-43.33
CC(=O)NC1=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813503	0	34	-1.0	-60.04	311.89	1.91	-58.13
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300010813503	1	33	-2.0	-99.95	308.59	0.77	-99.18
CC(CN(C)S(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010813504	0	34	-1.0	-48.92	311.32	5.78	-43.14
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010813505	0	35	-1.0	-54.54	317.93	2.27	-52.27
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813506	0	40	-1.0	-58.43	334.26	7.57	-50.86
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813507	0	39	-1.0	-52.79	326.82	3.01	-49.78
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010813508	0	35	-1.0	-54.26	322.50	2.37	-51.89
CCOC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813509	0	38	-1.0	-54.16	317.74	4.65	-49.51
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010813510	0	42	-1.0	-54.52	348.40	6.10	-48.42
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010813511	0	35	-1.0	-44.91	323.04	5.61	-39.30
COCCN(CCC#N)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813512	0	40	-1.0	-50.68	336.71	3.02	-47.66
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813513	0	38	-1.0	-53.18	338.10	5.06	-48.12
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010813514	0	34	-1.0	-52.23	294.35	3.50	-48.73
CC(CN(C)S(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010813515	0	32	-1.0	-45.79	298.17	5.03	-40.76
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010813516	0	32	-1.0	-50.56	301.37	5.21	-45.35
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813517	0	37	-1.0	-45.61	312.62	6.43	-39.18
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813518	0	48	-1.0	-54.10	407.48	4.62	-49.48
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010813519	0	37	-1.0	-54.72	323.96	6.09	-48.63
COCCOCCOCCS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813520	0	45	-1.0	-53.97	377.73	1.81	-52.16
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813521	0	41	-1.0	-61.75	352.78	1.95	-59.80
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010813522	0	31	-1.0	-47.83	288.81	5.62	-42.21
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2CC1	REAL300010813523	0	48	-1.0	-56.52	380.07	6.41	-50.11
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010813524	0	40	-1.0	-55.84	351.31	5.89	-49.95
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300010813525	0	41	-1.0	-46.65	356.64	6.53	-40.12
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813526	0	40	-1.0	-52.86	339.53	7.02	-45.84
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813527	0	40	-1.0	-53.48	336.24	6.75	-46.73
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813528	0	41	-1.0	-53.69	345.63	4.01	-49.68
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813529	0	45	-1.0	-55.32	371.63	6.30	-49.02
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010813530	0	31	-1.0	-51.45	285.51	4.94	-46.51
CC(CN(C)S(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010813531	0	44	-1.0	-54.18	369.78	6.06	-48.12
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010813532	0	40	-1.0	-49.75	357.88	6.39	-43.36
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010813533	0	33	-1.0	-46.86	312.05	6.53	-40.33
CC(CN(C)S(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010813534	0	40	-1.0	-61.78	329.04	1.71	-60.07
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813535	0	39	-1.0	-52.62	331.92	5.96	-46.66
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300010813536	0	42	-1.0	-50.23	358.28	4.68	-45.55
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(F)C=C1C	REAL300010813537	0	43	-1.0	-52.32	362.45	6.58	-45.74
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813538	0	45	-1.0	-66.74	378.82	2.64	-64.10
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813539	0	42	-1.0	-55.05	347.16	4.15	-50.90
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813540	0	44	-1.0	-54.26	367.52	5.98	-48.28
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1C	REAL300010813541	0	43	-1.0	-53.15	359.22	6.52	-46.63
CC(CN(C)S(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010813542	0	34	-1.0	-52.95	300.21	5.74	-47.21
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813543	0	43	-1.0	-53.51	366.09	6.81	-46.70
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813544	0	37	-1.0	-52.85	332.71	6.41	-46.44
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813545	0	34	-1.0	-51.71	314.10	6.55	-45.16
CC(COC1CCCC1)CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813546	0	47	-1.0	-51.47	369.79	5.79	-45.68
CC1=C(CCS(=O)(=O)N(C)CC(C)C(=O)[O-])SC=N1	REAL300010813547	0	36	-1.0	-50.68	315.94	3.70	-46.98
CC(CN(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010813548	0	37	-1.0	-48.00	328.26	7.03	-40.97
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813549	0	40	-1.0	-54.81	346.45	6.03	-48.78
CC(CN(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010813550	0	41	-1.0	-49.49	340.57	7.84	-41.65
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813551	0	45	-1.0	-51.29	386.43	2.73	-48.56
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010813552	0	34	-1.0	-53.75	308.65	5.75	-48.00
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1C	REAL300010813553	0	43	-1.0	-47.52	369.87	5.65	-41.87
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010813554	0	37	-1.0	-50.91	337.80	2.38	-48.53
CC(CN(C)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010813555	0	35	-1.0	-50.59	313.29	5.79	-44.80
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010813556	0	34	-1.0	-50.63	302.27	5.91	-44.72
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813557	0	33	-1.0	-47.98	287.91	3.58	-44.40
CC1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(Br)N1C	REAL300010813558	0	34	-1.0	-51.68	313.91	4.23	-47.45
CC(CN(C)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813559	0	32	-1.0	-52.02	290.70	3.31	-48.71
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813560	0	44	-1.0	-67.69	359.31	5.30	-62.39
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010813561	0	34	-2.0	-105.21	308.01	4.17	-101.04
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010813561	1	35	-1.0	-50.09	310.00	3.44	-46.65
CCOC(=O)CC1(S(=O)(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300010813562	0	40	-1.0	-55.57	333.69	6.21	-49.36
CC(CN(C)S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010813563	0	48	-1.0	-57.88	413.89	4.91	-52.97
CC(CN(C)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010813564	0	32	-1.0	-49.46	310.28	5.35	-44.11
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813565	0	42	-1.0	-56.15	362.04	3.95	-52.20
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010813566	0	46	-1.0	-47.37	379.87	7.31	-40.06
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813567	0	43	-1.0	-53.87	371.76	4.19	-49.68
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010813568	0	36	-1.0	-55.10	313.67	1.65	-53.45
COC(=O)C1(CS(=O)(=O)N(C)CC(C)C(=O)[O-])CCCC1	REAL300010813569	0	43	-1.0	-57.58	343.09	5.79	-51.79
CC(CN(C)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010813570	0	30	-1.0	-46.63	301.21	3.66	-42.97
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813571	0	38	-1.0	-48.20	339.09	5.17	-43.03
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010813572	0	37	-1.0	-46.82	320.81	5.94	-40.88
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010813573	0	42	-1.0	-48.73	374.08	7.85	-40.88
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813574	0	40	-1.0	-53.58	343.33	5.87	-47.71
CC(CN(C)S(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010813575	0	33	-1.0	-54.54	292.69	4.72	-49.82
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010813576	0	37	-1.0	-48.33	328.62	6.42	-41.91
COC(=O)C1(CS(=O)(=O)N(C)CC(C)C(=O)[O-])CCC1	REAL300010813577	0	40	-1.0	-57.13	329.53	5.47	-51.66
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010813578	0	31	-1.0	-49.48	301.12	4.71	-44.77
CC(CN(C)S(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010813579	0	35	-1.0	-51.14	316.97	5.48	-45.66
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1I	REAL300010813580	0	34	-1.0	-46.08	311.73	6.06	-40.02
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813581	0	44	-1.0	-54.21	376.26	5.29	-48.92
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813582	0	47	-1.0	-53.96	398.12	6.21	-47.75
COC(=O)C1(CS(=O)(=O)N(C)CC(C)C(=O)[O-])CCCCC1	REAL300010813583	0	46	-1.0	-52.15	351.58	6.50	-45.65
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN=C1C	REAL300010813584	0	39	-1.0	-49.40	335.48	3.89	-45.51
CC(CN(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010813585	0	35	-1.0	-46.59	314.04	4.68	-41.91
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813586	0	40	-1.0	-46.42	359.18	7.04	-39.38
CC(CN(C)S(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010813587	0	32	-1.0	-51.78	293.97	4.89	-46.89
CC(CN(C)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010813588	0	47	-1.0	-59.00	401.17	6.34	-52.66
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010813589	0	33	-1.0	-44.17	311.12	4.34	-39.83
CC(CN(C)S(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010813590	0	44	-1.0	-52.41	326.41	6.61	-45.80
CC(CN(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010813591	0	40	-1.0	-47.74	331.16	6.03	-41.71
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010813592	0	32	-1.0	-53.20	297.00	4.35	-48.85
CC(CN(C)S(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010813593	0	37	-1.0	-53.89	323.83	6.14	-47.75
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010813594	0	34	-1.0	-53.91	308.50	3.69	-50.22
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813595	0	33	-1.0	-52.60	312.67	6.98	-45.62
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(F)C=C1C	REAL300010813596	0	40	-1.0	-52.55	340.65	5.65	-46.90
CC1=CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010813597	0	39	-1.0	-52.96	342.82	5.82	-47.14
CC(CN(C)S(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010813598	0	40	-1.0	-51.49	323.11	5.68	-45.81
CC(CN(C)S(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010813599	0	41	-1.0	-51.62	348.28	5.27	-46.35
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C(C)C)=C1	REAL300010813600	0	58	-1.0	-47.21	426.83	10.65	-36.56
CC(CN(C)S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010813601	0	36	-1.0	-51.63	318.39	6.09	-45.54
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813602	0	43	-1.0	-50.95	365.82	7.32	-43.63
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813603	0	36	-1.0	-58.43	306.88	4.69	-53.74
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813604	0	38	-1.0	-46.59	334.63	5.22	-41.37
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])CCC2=C1	REAL300010813605	0	43	-1.0	-48.56	350.82	6.55	-42.01
CC(CN(C)S(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010813606	0	39	-1.0	-50.51	330.20	5.43	-45.08
CC(CN(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010813607	0	34	-1.0	-52.26	304.72	4.99	-47.27
CC(CN(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010813608	0	34	-1.0	-50.46	315.96	6.42	-44.04
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813609	0	45	-1.0	-58.37	383.45	3.28	-55.09
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813609	1	44	-2.0	-100.36	379.33	3.35	-97.01
CC(CN(C)S(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010813610	0	34	-1.0	-50.44	318.84	5.86	-44.58
CC(CN(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010813611	0	40	-1.0	-59.05	351.61	2.71	-56.34
CC1=CC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2C=C1	REAL300010813612	0	40	-1.0	-51.45	334.52	7.38	-44.07
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813613	0	40	-1.0	-45.99	344.34	6.32	-39.67
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010813614	0	46	-1.0	-57.18	388.90	5.49	-51.69
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813615	0	44	-1.0	-55.75	364.08	5.33	-50.42
CC(CN(C)S(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010813616	0	34	-1.0	-55.16	312.37	5.69	-49.47
CC(CN(C)S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010813617	0	37	-1.0	-56.90	313.60	6.67	-50.23
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(CC)=C1	REAL300010813618	0	49	-1.0	-47.38	367.59	9.12	-38.26
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300010813619	0	50	-1.0	-48.20	407.32	5.73	-42.47
CC(CN(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010813620	0	38	-1.0	-59.53	324.55	4.27	-55.26
CC(CN(C)S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010813621	0	33	-1.0	-54.96	314.27	4.34	-50.62
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813622	0	39	-1.0	-53.14	336.70	4.28	-48.86
CC(CN(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010813623	0	39	-1.0	-50.01	337.84	3.52	-46.49
CC(CN(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010813624	0	36	-1.0	-62.34	321.45	-0.59	-62.93
CC(CN(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010813625	0	42	-1.0	-58.27	342.24	1.61	-56.66
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Cl	REAL300010813626	0	35	-1.0	-47.29	312.81	4.32	-42.97
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010813627	0	34	-1.0	-48.95	297.77	2.37	-46.58
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813628	0	44	-1.0	-54.24	364.37	5.99	-48.25
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010813629	0	40	-1.0	-53.57	336.28	7.35	-46.22
CC(CN(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010813630	0	35	-1.0	-47.01	307.15	4.74	-42.27
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010813631	0	35	-1.0	-48.30	318.56	5.22	-43.08
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813632	0	40	-1.0	-57.00	348.78	5.91	-51.09
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813633	0	44	-1.0	-52.43	360.92	5.90	-46.53
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813634	0	35	-1.0	-51.16	297.40	4.47	-46.69
CC(CN(C)S(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010813635	0	34	-1.0	-49.06	327.63	6.28	-42.78
CC(CN(C)S(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010813636	0	34	-1.0	-50.55	326.26	6.30	-44.25
CC(CN(C)S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010813637	0	34	-1.0	-50.99	304.79	3.49	-47.50
CCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010813638	0	39	-1.0	-60.43	329.95	6.25	-54.18
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813639	0	47	-1.0	-54.15	368.23	6.74	-47.41
CC(CN(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010813640	0	38	-1.0	-50.75	342.11	7.35	-43.40
CC(CN(C)S(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010813641	0	38	-1.0	-58.31	334.99	6.50	-51.81
COC1=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813642	0	34	-1.0	-47.54	311.80	1.75	-45.79
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813643	0	40	-1.0	-51.19	342.65	6.46	-44.73
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813644	0	40	-1.0	-48.97	359.29	6.61	-42.36
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010813645	0	34	-1.0	-48.50	305.88	6.24	-42.26
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Cl	REAL300010813646	0	34	-1.0	-47.32	302.75	5.55	-41.77
CC(CN(C)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010813647	0	37	-1.0	-51.18	313.30	5.37	-45.81
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=N1	REAL300010813648	0	40	-1.0	-50.58	355.83	5.94	-44.64
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1F	REAL300010813649	0	37	-1.0	-53.66	335.72	5.98	-47.68
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813650	0	40	-1.0	-51.28	341.99	6.16	-45.12
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813651	0	38	-1.0	-48.16	318.63	5.16	-43.00
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813652	0	37	-1.0	-50.64	322.46	6.34	-44.30
CC(CN(C)S(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010813653	0	44	-1.0	-51.48	346.75	4.53	-46.95
CC(CN(C)S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010813654	0	46	-1.0	-46.41	380.44	2.75	-43.66
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010813655	0	39	-1.0	-52.18	314.69	5.78	-46.40
CC(CN(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010813656	0	38	-1.0	-55.20	331.79	2.83	-52.37
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010813657	0	31	-1.0	-50.10	289.87	5.02	-45.08
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])SC(Br)=C1	REAL300010813658	0	31	-1.0	-43.62	291.36	4.77	-38.85
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010813659	0	40	-1.0	-55.98	317.02	4.49	-51.49
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813660	0	41	-1.0	-49.45	337.98	3.22	-46.23
CC(CN(C)S(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010813661	0	37	-1.0	-51.24	319.74	6.05	-45.19
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010813662	0	37	-1.0	-49.11	317.98	6.01	-43.10
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010813663	0	37	-1.0	-48.50	325.09	6.35	-42.15
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813664	0	35	-1.0	-47.91	318.00	5.08	-42.83
COC1=CC2=C(C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-])C(=O)NCCC2	REAL300010813665	0	46	-1.0	-59.68	368.16	3.51	-56.17
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S2)C1	REAL300010813666	0	42	-1.0	-53.31	356.16	5.43	-47.88
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010813667	0	38	-1.0	-50.18	339.51	7.52	-42.66
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1CCOC1	REAL300010813668	0	42	-1.0	-52.21	334.20	2.43	-49.78
CC(CN(C)S(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010813669	0	34	-1.0	-50.99	315.92	5.86	-45.13
CC(CN(C)S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010813670	0	35	-1.0	-53.18	320.57	1.86	-51.32
CC(CN(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010813671	0	34	-1.0	-51.37	312.74	5.73	-45.64
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010813672	0	31	-1.0	-44.37	304.44	6.06	-38.31
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813673	0	38	-1.0	-59.32	322.33	2.36	-56.96
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813674	0	56	-1.0	-47.59	447.62	9.86	-37.73
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813675	0	46	-1.0	-55.32	377.13	6.79	-48.53
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813676	0	41	-1.0	-51.42	353.47	6.68	-44.74
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010813677	0	31	-1.0	-49.90	294.29	5.11	-44.79
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813678	0	37	-1.0	-47.07	326.58	5.13	-41.94
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010813679	0	45	-1.0	-49.08	374.55	7.48	-41.60
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010813680	0	45	-1.0	-54.98	383.85	7.78	-47.20
CC(CN(C)S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010813681	0	30	-1.0	-54.91	281.07	3.35	-51.56
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2)=N1	REAL300010813682	0	43	-1.0	-53.00	355.10	4.08	-48.92
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010813683	0	41	-1.0	-48.32	347.21	6.10	-42.22
CC(CN(C)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010813684	0	43	-1.0	-51.81	350.32	5.87	-45.94
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])N(C)N=C1	REAL300010813685	0	37	-1.0	-52.48	308.76	3.65	-48.83
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300010813686	0	39	-1.0	-49.38	347.61	3.25	-46.13
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=CC=C12	REAL300010813687	0	43	-1.0	-54.53	354.13	7.09	-47.44
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813688	0	42	-1.0	-49.92	352.52	3.60	-46.32
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1F	REAL300010813689	0	37	-1.0	-53.62	325.40	5.54	-48.08
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(Cl)C=C21	REAL300010813690	0	42	-1.0	-60.36	356.42	6.12	-54.24
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813691	0	44	-1.0	-55.46	357.43	6.10	-49.36
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1CCCC1	REAL300010813692	0	44	-1.0	-47.49	342.76	5.34	-42.15
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1CCCCC1	REAL300010813693	0	47	-1.0	-48.07	357.07	6.01	-42.06
CC(CN(C)S(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010813694	0	34	-1.0	-49.79	308.30	4.02	-45.77
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300010813695	0	50	-1.0	-48.16	398.74	7.50	-40.66
CC(CN(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010813696	0	34	-1.0	-62.55	319.10	4.38	-58.17
COC1=CC(F)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813697	0	35	-1.0	-47.49	294.70	4.86	-42.63
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010813698	0	39	-1.0	-53.18	324.53	6.53	-46.65
CC(CN(C)S(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010813699	0	38	-1.0	-45.97	309.36	4.74	-41.23
CC(CN(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010813700	0	44	-1.0	-47.75	364.43	6.64	-41.11
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])O1	REAL300010813701	0	37	-1.0	-53.78	327.07	3.94	-49.84
CCC1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1CC1CC1	REAL300010813702	0	44	-1.0	-51.55	359.92	6.74	-44.81
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813703	0	37	-1.0	-58.73	336.66	6.85	-51.88
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2C1	REAL300010813704	0	42	-1.0	-52.76	350.81	5.51	-47.25
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010813705	0	34	-1.0	-47.84	311.52	3.11	-44.73
CC(CN(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010813706	0	42	-1.0	-48.21	368.20	8.53	-39.68
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813707	0	34	-1.0	-46.47	304.17	5.64	-40.83
CC(CN(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010813708	0	41	-1.0	-51.94	329.98	7.93	-44.01
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010813709	0	51	-1.0	-48.35	418.86	9.74	-38.61
CC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813710	0	37	-1.0	-50.99	330.04	6.42	-44.57
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813711	0	38	-1.0	-50.92	334.03	5.66	-45.26
CC(CN(C)S(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010813712	0	37	-1.0	-51.86	322.16	6.00	-45.86
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1F	REAL300010813713	0	34	-1.0	-57.12	295.41	5.13	-51.99
CC(CN(C)S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010813714	0	30	-1.0	-50.70	283.53	3.48	-47.22
CC(C)OC1=CN=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813715	0	40	-1.0	-46.16	331.86	3.50	-42.66
CC(CN(C)S(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010813716	0	37	-1.0	-52.15	321.27	2.94	-49.21
CC(CN(C)S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010813717	0	38	-1.0	-49.36	342.81	3.73	-45.63
COC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])OC=C1	REAL300010813718	0	34	-1.0	-56.87	301.93	3.89	-52.98
CCC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C)C=C1OC	REAL300010813719	0	44	-1.0	-50.41	348.35	5.76	-44.65
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010813720	0	37	-1.0	-45.37	338.49	6.81	-38.56
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813721	0	39	-1.0	-54.64	339.40	5.55	-49.09
CC(CN(C)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010813722	0	33	-1.0	-57.86	297.41	3.41	-54.45
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813723	0	34	-1.0	-46.51	313.29	6.05	-40.46
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010813724	0	40	-1.0	-50.51	321.01	7.83	-42.68
CC(CN(C)S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010813725	0	38	-1.0	-45.94	328.20	4.65	-41.29
CC1=CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C2NC1=O	REAL300010813726	0	40	-1.0	-50.78	337.41	4.17	-46.61
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010813727	0	36	-1.0	-48.28	309.96	2.87	-45.41
CC1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010813728	0	40	-1.0	-52.88	350.64	6.39	-46.49
CC(CN(C)S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010813729	0	31	-1.0	-53.54	278.39	1.95	-51.59
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010813730	0	36	-1.0	-51.10	313.20	5.61	-45.49
CC(CN(C)S(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010813731	0	37	-1.0	-50.09	326.61	6.27	-43.82
CC(CN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010813732	0	48	0.0	-72.70	368.07	4.24	-68.46
CC(CN(C)S(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010813732	1	47	-1.0	-53.02	366.71	1.32	-51.70
CC(CN(C)S(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010813733	0	31	-1.0	-46.46	281.95	2.85	-43.61
CC(CN(C)S(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010813734	0	31	-1.0	-45.63	293.11	3.12	-42.51
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813735	0	35	-1.0	-46.14	300.41	5.96	-40.18
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300010813736	0	40	-1.0	-46.05	335.85	3.51	-42.54
CCCCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=N1	REAL300010813737	0	43	-1.0	-49.71	353.11	5.48	-44.23
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(OC)C=C1F	REAL300010813738	0	41	-1.0	-50.69	350.19	5.09	-45.60
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813739	0	41	-1.0	-62.21	344.76	5.54	-56.67
COC1=C(F)C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813740	0	35	-1.0	-50.13	298.57	4.98	-45.15
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300010813741	0	47	-1.0	-48.24	376.33	6.67	-41.57
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010813742	0	43	-1.0	-45.85	345.50	6.70	-39.15
CC(CN(C)S(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010813743	0	32	-1.0	-46.07	294.53	5.39	-40.68
CC(CN(C)S(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010813744	0	34	-1.0	-48.98	311.83	5.71	-43.27
CC(CN(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010813745	0	50	-1.0	-49.01	391.01	9.54	-39.47
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813746	0	36	-1.0	-52.53	325.65	4.98	-47.55
CC(CN(C)S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010813747	0	28	-1.0	-55.38	269.01	2.48	-52.90
CC(CN(C)S(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010813748	0	39	-1.0	-52.62	336.68	5.32	-47.30
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010813749	0	30	-1.0	-44.45	286.78	3.46	-40.99
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010813750	0	30	-1.0	-50.76	278.94	3.40	-47.36
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813751	0	34	-1.0	-47.48	310.35	2.40	-45.08
CC(CN(C)S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010813752	0	36	-1.0	-55.68	321.82	5.27	-50.41
CC(CN(C)S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010813753	0	33	-1.0	-46.55	306.44	4.84	-41.71
CC(CN(C)S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010813754	0	41	-1.0	-52.79	359.00	5.57	-47.22
CC(CN(C)S(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010813755	0	34	-1.0	-50.56	311.48	5.28	-45.28
CC(CN(C)S(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010813756	0	30	-1.0	-50.82	295.41	2.85	-47.97
CC(CN(C)S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010813757	0	33	-1.0	-46.52	319.31	5.04	-41.48
CCS(=O)(CC)=NS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813758	0	37	-1.0	-70.90	313.50	2.02	-68.88
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010813759	0	33	-1.0	-57.81	305.47	5.79	-52.02
CC(CN(C)S(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010813760	0	39	-1.0	-56.30	319.69	3.75	-52.55
CCOC(=O)C1(S(=O)(=O)N(C)CC(C)C(=O)[O-])CCC1	REAL300010813761	0	40	-1.0	-45.74	323.64	5.92	-39.82
CC(CN(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010813762	0	42	-1.0	-53.95	351.88	1.03	-52.92
CC(CN(C)S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010813763	0	32	-1.0	-45.24	311.84	4.08	-41.16
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813764	0	40	-1.0	-51.11	344.84	6.41	-44.70
CC(CN(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010813765	0	34	-1.0	-54.00	317.21	5.71	-48.29
CC(CN(C)S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010813766	0	34	-1.0	-47.99	292.84	3.12	-44.87
CC(CN(C)S(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010813767	0	41	-1.0	-46.85	320.82	4.82	-42.03
CC(CN(C)S(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010813768	0	28	-1.0	-48.71	270.20	4.13	-44.58
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010813769	0	43	-1.0	-50.81	341.91	5.32	-45.49
CC(CN(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010813770	0	41	-1.0	-46.88	334.11	5.32	-41.56
CC(CN(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010813771	0	34	-1.0	-48.09	292.41	3.40	-44.69
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010813772	0	31	-1.0	-52.06	283.84	2.92	-49.14
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010813773	0	33	-1.0	-53.16	303.29	3.59	-49.57
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813774	0	38	-1.0	-52.62	324.61	4.59	-48.03
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010813775	0	45	-1.0	-56.84	372.36	5.63	-51.21
C=CCCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813776	0	41	-1.0	-47.88	344.49	7.72	-40.16
COC(=O)C1=CNN=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813777	0	34	-1.0	-61.69	300.83	2.09	-59.60
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813778	0	34	-1.0	-46.53	313.29	6.05	-40.48
CC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813779	0	36	-1.0	-60.86	312.28	4.93	-55.93
CC(CN(C)S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010813780	0	40	-1.0	-70.07	333.60	2.48	-67.59
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300010813781	0	53	-1.0	-50.16	419.33	8.25	-41.91
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010813782	0	34	-1.0	-46.52	303.96	5.35	-41.17
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010813783	0	42	-1.0	-56.31	351.45	4.95	-51.36
CC(CN(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010813784	0	35	-1.0	-46.89	314.44	6.66	-40.23
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010813785	0	53	-1.0	-48.16	411.29	8.16	-40.00
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1CC	REAL300010813786	0	47	-1.0	-50.24	381.82	6.97	-43.27
CC(CN(C)S(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010813787	0	38	-1.0	-53.43	331.84	6.93	-46.50
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813788	0	37	-1.0	-46.04	304.17	6.25	-39.79
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813789	0	45	-1.0	-53.07	364.13	4.31	-48.76
CC(CN(C)S(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010813790	0	34	-1.0	-50.39	324.36	6.23	-44.16
CC(CN(C)S(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010813791	0	34	-1.0	-50.51	314.32	5.79	-44.72
CC(CN(C)S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010813792	0	41	-1.0	-58.36	350.02	6.48	-51.88
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813793	0	37	-1.0	-50.33	328.82	6.39	-43.94
CC1=CN=C(Cl)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813794	0	33	-1.0	-46.62	290.72	3.58	-43.04
COC1=CC=C(Br)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1F	REAL300010813795	0	35	-1.0	-51.08	315.54	5.00	-46.08
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813796	0	41	-1.0	-53.13	343.56	6.91	-46.22
CCOC(=O)C1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])N(C)N=C1	REAL300010813797	0	40	-1.0	-52.58	330.62	4.58	-48.00
CC(CN(C)S(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010813798	0	35	-1.0	-53.49	316.18	6.09	-47.40
CC(CN(C)S(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010813799	0	36	-1.0	-51.39	300.49	1.92	-49.47
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010813800	0	35	-1.0	-49.37	301.44	-0.08	-49.45
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(=O)OC	REAL300010813801	0	43	-1.0	-50.44	372.11	6.05	-44.39
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813802	0	44	-1.0	-53.82	371.90	5.42	-48.40
CC(CN(C)S(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010813803	0	40	-1.0	-53.02	330.14	5.20	-47.82
CC(CN(C)S(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010813804	0	31	-1.0	-48.97	285.95	4.85	-44.12
COC(=O)C1=CC=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813805	0	36	-1.0	-52.20	317.57	3.70	-48.50
CC(CN(C)S(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010813806	0	37	-1.0	-48.43	317.06	6.58	-41.85
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813807	0	47	-1.0	-47.94	380.82	7.74	-40.20
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010813808	0	36	-1.0	-50.17	298.53	4.70	-45.47
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300010813809	0	51	-1.0	-62.80	392.79	6.83	-55.97
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813810	0	38	-1.0	-57.69	331.02	4.81	-52.88
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010813811	0	45	-1.0	-52.53	365.19	4.64	-47.89
CC(CN(C)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010813812	0	46	-1.0	-57.19	375.89	7.05	-50.14
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C21	REAL300010813813	0	45	-1.0	-71.60	366.94	6.35	-65.25
CC(CN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010813814	0	38	-2.0	-101.58	315.05	4.17	-97.41
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)C=C1	REAL300010813815	0	46	-1.0	-49.81	397.56	8.36	-41.45
CC(CN(C)S(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010813816	0	38	-1.0	-50.01	316.58	4.65	-45.36
CC(CN(C)S(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010813817	0	38	-1.0	-49.51	315.49	4.27	-45.24
CC(CN(C)S(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010813818	0	41	-1.0	-47.73	336.62	5.52	-42.21
COC(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010813819	0	43	-1.0	-49.05	349.91	7.41	-41.64
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813820	0	44	-1.0	-54.90	365.12	5.90	-49.00
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813821	0	41	-1.0	-57.27	340.23	5.78	-51.49
CC(CN(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010813822	0	42	-1.0	-50.73	339.43	3.03	-47.70
CC(CN(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010813823	0	37	-1.0	-50.74	333.78	5.31	-45.43
CC(CN(C)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010813824	0	37	-1.0	-49.08	317.09	1.65	-47.43
CC(CN(C)S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010813825	0	28	-1.0	-51.83	271.39	3.25	-48.58
CC(CN(C)S(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010813826	0	38	-1.0	-47.28	305.23	4.91	-42.37
COC1=C(F)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813827	0	35	-1.0	-45.07	312.57	4.52	-40.55
COC1=CC(F)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300010813828	0	35	-1.0	-50.94	304.46	3.80	-47.14
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300010813829	0	56	-1.0	-48.07	441.73	9.06	-39.01
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300010813830	0	47	-1.0	-53.15	363.60	6.18	-46.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813831	0	41	-1.0	-53.37	337.24	5.97	-47.40
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300010813832	0	54	-1.0	-50.38	431.81	6.89	-43.49
CC(CN(C)S(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300010813833	0	39	-1.0	-53.28	319.85	5.66	-47.62
CC(CN(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010813834	0	39	-1.0	-50.28	338.30	4.22	-46.06
CC(CN(C)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010813835	0	39	-1.0	-57.53	337.02	6.66	-50.87
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813836	0	35	-1.0	-48.92	305.45	5.54	-43.38
CC1=C(Br)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C)S1	REAL300010813837	0	34	-1.0	-44.79	308.87	6.07	-38.72
CC1=CC(Cl)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(Br)=C1	REAL300010813838	0	34	-1.0	-48.37	310.97	6.93	-41.44
COC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=N1	REAL300010813839	0	36	-1.0	-57.57	317.39	3.28	-54.29
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1Br	REAL300010813840	0	37	-1.0	-49.71	331.88	5.85	-43.86
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C21	REAL300010813841	0	48	-1.0	-60.27	377.33	6.57	-53.70
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010813842	0	37	-1.0	-52.17	320.66	5.42	-46.75
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C21	REAL300010813843	0	45	-1.0	-57.61	366.24	6.61	-51.00
CC(CN(C)S(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010813844	0	31	-1.0	-48.41	291.77	2.60	-45.81
CC(CN(C)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813845	0	33	-1.0	-48.00	301.21	3.60	-44.40
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813846	0	36	-1.0	-58.08	306.49	4.57	-53.51
CC(CN(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010813847	0	35	-1.0	-48.44	319.42	4.94	-43.50
CC(CN(C)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010813848	0	34	-1.0	-63.06	314.54	4.27	-58.79
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010813849	0	34	-1.0	-53.51	305.48	5.86	-47.65
CC(CN(C)S(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010813850	0	38	-1.0	-48.48	317.40	4.20	-44.28
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1F	REAL300010813851	0	40	-1.0	-45.12	312.83	6.40	-38.72
COC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300010813852	0	39	-1.0	-49.64	319.02	4.42	-45.22
CC(CN(C)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010813853	0	40	-1.0	-52.44	335.58	1.67	-50.77
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010813854	0	32	-1.0	-44.57	307.79	5.34	-39.23
COC1=CC=C(F)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300010813855	0	39	-1.0	-51.83	328.44	5.19	-46.64
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813856	0	34	-1.0	-50.89	327.18	3.90	-46.99
CC(CN(C)S(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010813857	0	28	-1.0	-49.39	288.70	4.71	-44.68
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010813858	0	44	-1.0	-50.78	356.74	5.46	-45.32
CC(CN(C)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010813859	0	35	-1.0	-59.01	319.08	6.41	-52.60
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010813860	0	38	-1.0	-50.69	318.14	4.21	-46.48
CC(CN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010813861	0	33	-2.0	-97.45	297.18	4.97	-92.48
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010813862	0	35	-1.0	-49.87	306.52	4.03	-45.84
CC(CN(C)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010813863	0	35	-1.0	-60.36	319.51	4.95	-55.41
CC(CN(C)S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010813864	0	34	-1.0	-52.47	296.49	4.11	-48.36
CC(CN(C)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010813865	0	36	-1.0	-64.07	307.55	3.50	-60.57
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010813866	0	31	-2.0	-99.14	299.88	4.63	-94.51
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300010813867	0	37	-1.0	-50.93	313.64	6.10	-44.83
CC(CN(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010813868	0	37	-1.0	-47.91	336.31	6.11	-41.80
CC(CN(C)S(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010813869	0	34	-1.0	-48.73	299.54	5.04	-43.69
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010813870	0	41	-1.0	-48.94	333.07	5.08	-43.86
CC(CN(C)S(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010813871	0	39	-1.0	-47.05	329.21	4.85	-42.20
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813872	0	49	-1.0	-52.35	373.99	8.05	-44.30
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010813873	0	37	-1.0	-52.25	337.59	6.30	-45.95
CC(CN(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010813874	0	41	-1.0	-47.46	340.67	5.62	-41.84
CC(CN(C)S(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010813875	0	35	-1.0	-48.29	300.07	5.46	-42.83
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010813876	0	42	-1.0	-52.97	360.36	7.39	-45.58
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010813877	0	44	-1.0	-59.11	357.07	2.85	-56.26
COC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010813878	0	40	-1.0	-59.82	334.97	6.11	-53.71
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813879	0	37	-1.0	-50.46	325.27	2.79	-47.67
CC(CN(C)S(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010813880	0	32	-1.0	-50.39	285.67	4.63	-45.76
CC(CN(C)S(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010813881	0	38	-1.0	-47.67	310.28	4.52	-43.15
CC(CN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813882	0	35	-1.0	-45.19	323.14	6.32	-38.87
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2C=C1	REAL300010813883	0	43	-1.0	-50.23	367.91	7.36	-42.87
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010813884	0	40	-1.0	-55.81	355.40	7.02	-48.79
CC(CN(C)S(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010813885	0	40	-1.0	-47.12	315.43	4.74	-42.38
CC(CN(C)S(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010813886	0	40	-1.0	-47.70	331.78	4.64	-43.06
CC(CN(C)S(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010813887	0	38	-1.0	-49.23	315.28	3.76	-45.47
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010813888	0	36	-1.0	-46.70	319.47	4.35	-42.35
CC(CN(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813889	0	34	-1.0	-44.23	311.82	6.05	-38.18
CC(CN(C)S(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010813890	0	31	-1.0	-49.78	292.22	5.25	-44.53
CC(CN(C)S(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010813891	0	31	-1.0	-50.59	299.28	4.58	-46.01
CC(CN(C)S(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010813892	0	36	-1.0	-46.12	297.57	4.15	-41.97
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813893	0	41	-1.0	-51.69	349.18	3.96	-47.73
CC(CN(C)S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010813894	0	28	-1.0	-47.92	270.18	3.68	-44.24
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010813895	0	34	-1.0	-44.07	319.18	5.87	-38.20
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010813896	0	34	-1.0	-55.33	291.23	6.28	-49.05
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813897	0	42	-1.0	-63.33	350.95	6.47	-56.86
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010813898	0	42	-1.0	-48.77	342.96	7.93	-40.84
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010813899	0	41	-1.0	-50.42	346.04	6.65	-43.77
CC(CN(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010813900	0	37	-1.0	-47.29	332.15	5.92	-41.37
CC(CN(C)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010813901	0	36	-1.0	-49.37	322.58	5.11	-44.26
CC(CN(C)S(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010813902	0	38	-1.0	-56.25	319.32	2.80	-53.45
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813903	0	41	-1.0	-46.81	363.49	5.71	-41.10
CC(CN(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010813904	0	31	-1.0	-50.13	296.43	5.43	-44.70
CC(CN(C)S(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010813905	0	31	-1.0	-49.48	291.37	5.13	-44.35
CC(CN(C)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813906	0	34	-1.0	-51.98	303.76	6.11	-45.87
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813907	0	37	-1.0	-46.63	332.59	5.26	-41.37
CC(CN(C)S(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010813908	0	38	-1.0	-50.74	316.19	6.99	-43.75
CC(CN(C)S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010813909	0	33	-1.0	-45.26	320.19	5.18	-40.08
CC(CN(C)S(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010813910	0	41	-1.0	-47.66	329.05	4.94	-42.72
CCC(C)N1N=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813911	0	40	-1.0	-47.62	325.57	4.27	-43.35
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813912	0	40	-1.0	-57.22	339.31	2.49	-54.73
CC(CN(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010813913	0	34	-1.0	-57.46	323.56	1.06	-56.40
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813914	0	40	-1.0	-57.22	339.31	2.49	-54.73
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010813915	0	34	-1.0	-51.55	296.15	6.41	-45.14
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813916	0	43	-1.0	-63.59	362.72	8.71	-54.88
CC(CN(C)S(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010813917	0	45	-1.0	-47.92	341.70	5.73	-42.19
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010813918	0	31	-1.0	-48.58	290.53	4.19	-44.39
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813919	0	35	-1.0	-49.16	304.78	4.56	-44.60
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010813920	0	45	-1.0	-49.07	358.49	3.81	-45.26
CC(CN(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010813921	0	37	-1.0	-54.15	319.60	5.96	-48.19
CC(CN(C)S(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010813922	0	35	-1.0	-52.11	305.63	4.00	-48.11
CC(CN(C)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010813923	0	46	-1.0	-50.36	364.14	7.10	-43.26
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=NC=CC=C12	REAL300010813924	0	42	-1.0	-63.16	336.23	6.62	-56.54
CC(CN(C)S(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010813925	0	39	-1.0	-50.18	325.11	4.58	-45.60
CCOCC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813926	0	41	-1.0	-52.00	344.21	5.16	-46.84
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813927	0	40	-1.0	-56.62	352.84	6.74	-49.88
CC(CN(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010813928	0	34	-1.0	-48.42	325.96	6.97	-41.45
CC(CN(C)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010813929	0	41	-1.0	-50.90	349.58	5.68	-45.22
CC(CN(C)S(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010813930	0	44	-1.0	-46.69	352.20	5.90	-40.79
CC(CN(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010813931	0	34	-1.0	-50.22	318.49	6.51	-43.71
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010813932	0	42	-1.0	-49.70	356.94	7.31	-42.39
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813933	0	43	-1.0	-55.28	355.15	7.50	-47.78
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(C)=C1Br	REAL300010813934	0	37	-1.0	-45.76	323.51	6.71	-39.05
CC(CN(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010813935	0	36	-1.0	-50.96	328.08	5.96	-45.00
CC(CN(C)S(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010813936	0	30	-1.0	-51.44	291.17	2.75	-48.69
CC(CN(C)S(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010813937	0	32	-1.0	-49.72	288.57	5.22	-44.50
CC(CN(C)S(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010813938	0	35	-1.0	-56.06	307.87	3.95	-52.11
CC(CN(C)S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010813939	0	37	-1.0	-47.58	345.08	6.29	-41.29
CC(CN(C)S(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010813940	0	30	-1.0	-47.46	288.65	3.13	-44.33
CC(CN(C)S(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010813941	0	43	-1.0	-52.52	352.00	2.28	-50.24
CCN1N=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1Cl	REAL300010813942	0	34	-1.0	-46.63	301.44	3.67	-42.96
CC(CN(C)S(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010813943	0	35	-1.0	-53.39	320.20	6.18	-47.21
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2	REAL300010813944	0	37	-1.0	-47.55	350.90	6.17	-41.38
CC(CN(C)S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010813945	0	31	-1.0	-50.08	297.38	5.31	-44.77
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010813946	0	33	-1.0	-50.98	302.57	4.08	-46.90
CC(CN(C)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010813947	0	36	-1.0	-58.17	323.39	5.62	-52.55
CC(CN(C)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010813948	0	36	-1.0	-53.62	315.19	5.18	-48.44
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010813949	0	33	-1.0	-50.98	302.57	4.08	-46.90
CC(CN(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010813950	0	34	-1.0	-48.42	325.96	6.97	-41.45
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010813951	0	40	-1.0	-52.36	320.91	7.08	-45.28
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813952	0	35	-1.0	-50.20	321.85	5.86	-44.34
CC(CN(C)S(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010813953	0	38	-1.0	-50.70	325.21	5.30	-45.40
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010813954	0	45	-1.0	-49.39	370.72	5.93	-43.46
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010813955	0	31	-1.0	-53.68	291.90	5.01	-48.67
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])O1	REAL300010813956	0	37	-1.0	-60.66	333.25	0.86	-59.80
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010813957	0	41	-1.0	-55.70	346.62	6.16	-49.54
CC(CN(C)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010813958	0	37	-1.0	-55.78	341.09	1.98	-53.80
CC(CN(C)S(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010813959	0	35	-1.0	-47.67	304.99	6.22	-41.45
CC(CN(C)S(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010813960	0	35	-1.0	-46.80	319.00	6.75	-40.05
CC(CN(C)S(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010813961	0	35	-1.0	-47.19	319.00	6.76	-40.43
CC(CN(C)S(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010813962	0	36	-1.0	-56.70	309.46	-1.59	-58.29
CC(CN(C)S(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010813963	0	33	-1.0	-48.87	296.12	3.79	-45.08
CC1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010813964	0	40	-1.0	-53.89	342.73	3.95	-49.94
CC(CN(C)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010813965	0	48	-1.0	-48.39	343.27	7.91	-40.48
CC(CN(C)S(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010813966	0	39	-1.0	-50.89	308.25	4.94	-45.95
CC(CN(C)S(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010813967	0	39	-1.0	-62.29	339.69	1.34	-60.95
CC(CN(C)S(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010813968	0	44	-1.0	-49.21	339.66	5.35	-43.86
CCOC(=O)C1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2C=CC=CN12	REAL300010813969	0	43	-1.0	-58.27	369.25	6.66	-51.61
CC(CN(C)S(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010813970	0	35	-1.0	-51.51	315.14	3.52	-47.99
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2C=C1	REAL300010813971	0	40	-1.0	-55.07	351.04	6.46	-48.61
CC(CN(C)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010813972	0	41	-1.0	-52.88	350.21	7.39	-45.49
CC(CN(C)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010813973	0	40	-1.0	-56.83	321.96	1.99	-54.84
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813974	0	40	-1.0	-59.20	341.93	5.48	-53.72
CC(CN(C)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010813975	0	44	-1.0	-51.11	335.84	6.49	-44.62
CC(CN(C)S(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010813976	0	35	-1.0	-47.90	311.59	5.80	-42.10
COC(=O)C1CCCCN1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813977	0	42	-1.0	-54.69	331.07	5.00	-49.69
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010813978	0	53	-1.0	-49.42	395.97	8.60	-40.82
CC(CN(C)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010813979	0	34	-1.0	-58.22	311.82	5.23	-52.99
COC1=CC=C(C=C(C)S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300010813980	0	42	-1.0	-50.62	345.41	5.47	-45.15
CC1=CC=CC(CNS(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813981	0	39	-1.0	-47.49	335.56	4.71	-42.78
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=NN1	REAL300010813982	0	37	-1.0	-49.23	326.88	2.78	-46.45
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813982	1	36	-2.0	-100.53	323.38	2.11	-98.42
CCOC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=N[N-]1	REAL300010813982	1	36	-2.0	-100.58	323.48	2.12	-98.46
COC1=CSC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300010813983	0	36	-1.0	-50.19	323.68	2.99	-47.20
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300010813984	0	34	-1.0	-50.96	323.11	3.80	-47.16
CC(CN(C)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010813985	0	43	-1.0	-50.93	330.04	5.00	-45.93
CC(CN(C)S(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010813986	0	42	-1.0	-46.94	344.00	6.58	-40.36
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813987	0	35	-1.0	-49.12	320.61	6.13	-42.99
CC(CN(C)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010813988	0	35	-1.0	-52.54	316.51	5.62	-46.92
COC1=CC(F)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300010813989	0	35	-1.0	-53.53	305.54	3.99	-49.54
CC(CN(C)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010813990	0	35	-1.0	-47.81	311.86	4.07	-43.74
CC(CN(C)S(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010813991	0	37	-1.0	-48.76	308.52	4.32	-44.44
CC(CN(C)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010813992	0	34	-1.0	-51.86	292.52	5.64	-46.22
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010813993	0	40	-1.0	-47.55	344.67	5.44	-42.11
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010813994	0	28	-1.0	-43.28	291.75	5.07	-38.21
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813995	0	44	-1.0	-51.03	356.09	7.22	-43.81
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010813996	0	48	-1.0	-51.21	384.72	6.32	-44.89
CC(CN(C)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010813997	0	34	-1.0	-44.21	322.87	6.40	-37.81
CC(CN(C)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010813998	0	36	-1.0	-48.70	319.96	5.61	-43.09
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300010813999	0	39	-1.0	-49.80	322.71	3.83	-45.97
CC(CN(C)S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010814000	0	28	-1.0	-46.99	291.38	4.88	-42.11
COC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=C1F	REAL300010816018	0	38	-1.0	-50.58	327.61	4.00	-46.58
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010816019	0	38	-1.0	-54.91	342.79	4.31	-50.60
COC(=O)C1CCCCC1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816020	0	43	-1.0	-54.22	350.26	5.41	-48.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816021	0	46	-1.0	-51.89	371.19	4.78	-47.11
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816022	0	39	-1.0	-50.48	350.65	5.92	-44.56
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816023	0	38	-1.0	-54.79	334.46	2.65	-52.14
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816024	0	39	-1.0	-49.92	337.42	5.81	-44.11
O=C([O-])CCCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010816025	0	36	-1.0	-49.50	329.54	4.26	-45.24
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010816026	0	31	-1.0	-47.99	306.18	4.86	-43.13
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010816027	0	33	-1.0	-54.30	295.82	5.25	-49.05
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010816028	0	28	-1.0	-50.32	282.79	2.49	-47.83
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010816028	1	27	-2.0	-97.58	280.55	2.11	-95.47
N#CC1(CS(=O)(=O)NCCCCC(=O)[O-])CCCCC1	REAL300010816029	0	41	-1.0	-55.67	333.42	4.66	-51.01
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010816030	0	33	-1.0	-51.24	306.65	4.43	-46.81
COC1=CC(Br)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816031	0	35	-1.0	-49.30	329.21	3.69	-45.61
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN1C	REAL300010816032	0	41	-1.0	-53.20	361.46	4.79	-48.41
O=C([O-])CCCCNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010816033	0	44	-1.0	-59.31	390.02	4.86	-54.45
CCC1=NOC2=NC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C12	REAL300010816034	0	38	-1.0	-54.40	339.65	1.48	-52.92
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010816035	0	43	-1.0	-52.50	362.80	5.20	-47.30
O=C([O-])CCCCNS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010816036	0	31	-1.0	-51.34	293.12	4.50	-46.84
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010816036	1	30	-2.0	-108.11	292.22	4.19	-103.92
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(Cl)=N1	REAL300010816037	0	33	-1.0	-53.05	296.89	2.57	-50.48
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816038	0	36	-1.0	-50.17	319.67	3.98	-46.19
O=C([O-])CCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010816039	0	38	-1.0	-50.93	335.68	5.45	-45.48
CSC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Cl	REAL300010816040	0	35	-1.0	-49.10	333.63	5.24	-43.86
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816041	0	33	-1.0	-49.32	317.70	4.14	-45.18
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816042	0	41	-1.0	-59.62	361.73	0.33	-59.29
COC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN=C1Cl	REAL300010816043	0	34	-1.0	-49.06	319.25	1.72	-47.34
CCN1C(=O)OC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816044	0	40	-1.0	-56.59	354.35	4.73	-51.86
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010816045	0	46	-1.0	-54.10	392.18	4.20	-49.90
O=C([O-])CCCCNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010816046	0	30	-1.0	-50.12	299.60	3.52	-46.60
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816047	0	49	0.0	-80.01	394.87	4.96	-75.05
CC1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816048	0	37	-1.0	-52.00	328.90	5.19	-46.81
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816049	0	34	-1.0	-48.37	314.41	5.28	-43.09
O=C([O-])CCCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010816050	0	35	-1.0	-54.88	316.83	3.82	-51.06
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010816051	0	31	-1.0	-49.50	297.98	4.14	-45.36
COC1=CC=CC(OC)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816052	0	39	-1.0	-54.17	332.40	4.28	-49.89
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1C	REAL300010816053	0	58	-1.0	-51.54	465.74	8.37	-43.17
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010816054	0	40	-1.0	-50.94	340.47	5.19	-45.75
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816055	0	45	-1.0	-52.91	392.68	4.90	-48.01
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816056	0	32	-1.0	-50.48	300.86	4.20	-46.28
O=C([O-])CCCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010816057	0	34	-1.0	-53.92	322.37	2.82	-51.10
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010816058	0	46	-1.0	-60.95	384.54	4.86	-56.09
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010816059	0	37	-1.0	-49.70	345.61	6.64	-43.06
COC(=O)CCCCCS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816060	0	42	-1.0	-55.58	362.22	4.62	-50.96
CN1N=CC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN=C21	REAL300010816061	0	36	-1.0	-52.10	322.76	2.89	-49.21
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816062	0	39	-1.0	-52.66	345.58	1.98	-50.68
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010816064	0	34	-1.0	-47.44	333.89	5.28	-42.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816065	0	42	-1.0	-54.34	344.37	1.75	-52.59
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816066	0	36	-1.0	-52.97	337.52	5.78	-47.19
COC1=C(F)C=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816067	0	37	-1.0	-50.06	341.89	4.59	-45.47
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816068	0	41	-1.0	-53.14	369.12	3.12	-50.02
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010816069	0	42	-1.0	-58.85	377.32	5.58	-53.27
COC1=CC=C(CCS(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816070	0	41	-1.0	-52.22	353.17	4.57	-47.65
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010816071	0	46	-1.0	-51.83	393.76	5.18	-46.65
O=C([O-])CCCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010816072	0	34	-1.0	-52.42	317.48	2.61	-49.81
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010816073	0	42	-1.0	-52.94	359.56	5.10	-47.84
CC1=CC=NC2=C(S(=O)(=O)NCCCCC(=O)[O-])C=CC=C12	REAL300010816074	0	39	-1.0	-54.74	328.61	5.42	-49.32
COC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(OC)C=C1Br	REAL300010816075	0	39	-1.0	-49.07	348.80	3.56	-45.51
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010816076	0	34	-1.0	-50.21	310.60	4.63	-45.58
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010816077	0	34	-1.0	-49.74	315.42	4.51	-45.23
CC1=CC(Br)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816078	0	34	-1.0	-49.38	321.13	5.04	-44.34
CSC1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816079	0	35	-1.0	-50.69	302.75	3.94	-46.75
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Br	REAL300010816080	0	38	-1.0	-53.72	352.70	3.42	-50.30
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816081	0	42	-1.0	-55.85	349.77	3.32	-52.53
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010816082	0	43	-1.0	-57.15	351.12	2.62	-54.53
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010816083	0	37	-1.0	-51.65	358.87	1.89	-49.76
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010816084	0	39	-1.0	-51.76	347.86	5.03	-46.73
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816085	0	41	-1.0	-53.14	369.12	3.12	-50.02
CN(C)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816086	0	39	-1.0	-50.32	329.55	4.16	-46.16
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010816087	0	34	-1.0	-52.80	324.77	5.05	-47.75
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(OC)=C1	REAL300010816088	0	41	-1.0	-51.59	353.62	4.25	-47.34
COC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=CS1	REAL300010816089	0	37	-1.0	-51.68	333.22	5.02	-46.66
COC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1F	REAL300010816090	0	35	-1.0	-49.95	314.15	3.14	-46.81
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816091	0	42	-1.0	-54.68	368.58	3.85	-50.83
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816092	0	45	-1.0	-49.58	386.12	4.97	-44.61
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010816093	0	45	-1.0	-49.49	385.30	7.14	-42.35
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816094	0	39	-1.0	-53.80	350.81	5.92	-47.88
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010816095	0	31	-1.0	-47.42	312.79	4.59	-42.83
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010816095	1	30	-2.0	-97.03	317.79	4.53	-92.50
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816096	0	43	0.0	-76.67	356.78	5.67	-71.00
CN(C)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816097	0	39	-1.0	-50.65	329.50	4.15	-46.50
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C2O1	REAL300010816098	0	46	-1.0	-51.33	402.12	6.44	-44.89
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816099	0	43	-1.0	-55.17	369.72	6.24	-48.93
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010816100	0	31	-1.0	-50.48	302.16	4.37	-46.11
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010816100	1	30	-2.0	-96.32	311.34	4.52	-91.80
CC1=C(Cl)SC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816101	0	31	-1.0	-48.47	307.39	3.98	-44.49
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010816102	0	37	-1.0	-50.89	324.12	4.28	-46.61
COC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816103	0	35	-1.0	-52.23	306.15	2.81	-49.42
CC1=CC=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010816104	0	39	-1.0	-53.97	334.59	6.74	-47.23
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010816105	0	37	-1.0	-50.84	339.43	5.56	-45.28
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010816106	0	41	-1.0	-49.27	364.06	6.74	-42.53
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816107	0	34	-1.0	-49.16	320.20	5.34	-43.82
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010816108	0	36	-1.0	-53.51	319.62	4.13	-49.38
CC1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816109	0	37	-1.0	-52.27	328.90	5.19	-47.08
CC1=CC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816110	0	39	-1.0	-54.61	337.13	5.85	-48.76
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010816111	0	31	-1.0	-49.14	309.71	4.95	-44.19
O=C([O-])CCCCNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010816112	0	33	-1.0	-47.65	322.92	5.90	-41.75
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010816112	1	32	-2.0	-99.15	321.70	5.65	-93.50
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010816113	0	41	-1.0	-49.27	364.06	6.74	-42.53
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010816114	0	30	-1.0	-48.35	296.14	2.44	-45.91
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010816115	0	31	-1.0	-47.62	314.55	4.83	-42.79
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010816116	0	42	-1.0	-52.01	374.94	3.59	-48.42
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010816117	0	30	-2.0	-100.61	297.26	3.80	-96.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816118	0	41	-1.0	-51.07	337.39	5.32	-45.75
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816119	0	37	-1.0	-51.85	337.74	4.45	-47.40
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816120	0	35	-1.0	-49.01	315.67	4.11	-44.90
O=C([O-])CCCCNS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010816121	0	32	-1.0	-49.90	305.91	2.53	-47.37
O=C([O-])CCCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010816122	0	44	-1.0	-52.02	367.16	7.06	-44.96
CC(C)(C)C1=CC(CS(=O)(=O)NCCCCC(=O)[O-])=NO1	REAL300010816123	0	42	-1.0	-53.19	360.29	4.48	-48.71
O=C([O-])CCCCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010816124	0	48	-1.0	-51.97	374.52	9.87	-42.10
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCCC(=O)[O-])C=CC=C12	REAL300010816125	0	45	-1.0	-50.72	372.84	5.97	-44.75
COC1=CC=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816126	0	38	-1.0	-52.15	322.62	3.96	-48.19
COC(=O)C1=CN=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816127	0	36	-1.0	-51.23	328.36	2.61	-48.62
N#CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Br	REAL300010816128	0	32	-1.0	-49.50	318.91	4.66	-44.84
O=C([O-])CCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010816129	0	33	-1.0	-47.29	320.82	4.86	-42.43
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010816129	1	32	-2.0	-93.13	329.97	5.00	-88.13
COC1=CC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Cl	REAL300010816130	0	38	-1.0	-51.60	339.48	4.40	-47.20
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816131	0	37	-1.0	-49.57	352.33	4.40	-45.17
CN(C)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816132	0	38	-1.0	-52.09	328.32	3.60	-48.49
COC1=CC(Cl)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1OC	REAL300010816133	0	39	-1.0	-50.59	338.75	3.02	-47.57
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010816134	0	35	-1.0	-51.07	323.90	3.41	-47.66
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010816135	0	34	-1.0	-50.00	322.74	4.82	-45.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C	REAL300010816136	0	42	-1.0	-55.41	370.28	0.72	-54.69
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C2S1	REAL300010816137	0	43	-1.0	-52.60	393.05	6.81	-45.79
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010816138	0	37	-1.0	-57.29	329.18	3.17	-54.12
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816139	0	36	-1.0	-59.98	335.19	-0.63	-60.61
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816140	0	37	-1.0	-53.34	331.39	4.17	-49.17
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816141	0	39	-1.0	-54.98	343.09	5.09	-49.89
COC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(Br)=C1	REAL300010816142	0	35	-1.0	-49.32	324.35	3.80	-45.52
CC1=CC2=C(C=C1S(=O)(=O)NCCCCC(=O)[O-])OCO2	REAL300010816143	0	37	-1.0	-51.55	319.20	3.34	-48.21
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010816144	0	37	-1.0	-49.59	345.39	4.91	-44.68
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816145	0	37	-1.0	-55.12	320.54	4.87	-50.25
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010816146	0	31	-1.0	-48.58	296.81	4.32	-44.26
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816147	0	37	-1.0	-47.21	310.91	5.32	-41.89
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010816148	0	31	-1.0	-48.31	311.61	5.02	-43.29
COC1=CC2=C(C=C1S(=O)(=O)NCCCCC(=O)[O-])OCC(=O)N2	REAL300010816149	0	41	-1.0	-51.97	349.60	0.81	-51.16
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010816150	0	32	-2.0	-95.28	326.07	4.62	-90.66
O=C([O-])CCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010816150	1	33	-1.0	-48.18	321.08	4.68	-43.50
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010816151	0	33	-1.0	-48.39	317.35	4.56	-43.83
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010816151	1	32	-2.0	-91.68	322.33	4.50	-87.18
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010816152	0	31	-1.0	-46.89	306.92	5.08	-41.81
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010816152	1	30	-2.0	-96.25	306.19	4.77	-91.48
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010816153	0	32	-1.0	-53.97	296.76	2.15	-51.82
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010816154	0	31	-1.0	-52.60	297.29	4.12	-48.48
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1OC	REAL300010816155	0	41	-1.0	-53.51	360.50	4.48	-49.03
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010816156	0	31	-1.0	-47.32	311.61	5.02	-42.30
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010816157	0	34	-1.0	-52.21	318.90	4.99	-47.22
CC(=O)NC1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816158	0	34	-1.0	-56.64	323.36	1.26	-55.38
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816158	1	33	-2.0	-94.20	320.08	0.13	-94.07
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010816159	0	34	-1.0	-52.18	323.47	5.09	-47.09
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816160	0	35	-1.0	-55.58	329.67	1.05	-54.53
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816161	0	40	-1.0	-53.18	344.29	6.20	-46.98
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816162	0	39	-1.0	-52.27	322.67	1.32	-50.95
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816163	0	35	-1.0	-55.37	334.24	1.16	-54.21
CCOC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816164	0	38	-1.0	-50.40	329.79	3.99	-46.41
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C2O1	REAL300010816165	0	42	-1.0	-52.37	349.65	5.03	-47.34
N#CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010816166	0	35	-1.0	-52.97	335.09	4.95	-48.02
COCCN(CCC#N)S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816167	0	40	-1.0	-54.76	343.06	2.19	-52.57
COC1=CC=C(Br)C(CS(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816168	0	38	-1.0	-52.45	348.36	4.34	-48.11
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010816169	0	34	-1.0	-52.06	298.75	2.31	-49.75
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816170	0	32	-1.0	-57.36	303.69	4.01	-53.35
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816171	0	32	-1.0	-53.31	305.28	4.13	-49.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816172	0	37	-1.0	-48.62	331.85	5.65	-42.97
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816173	0	48	-1.0	-53.94	415.21	3.48	-50.46
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010816174	0	37	-1.0	-54.09	328.20	4.81	-49.28
COCCOCCOCCS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816175	0	45	-1.0	-53.89	386.90	1.07	-52.82
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816176	0	41	-1.0	-57.66	359.63	1.11	-56.55
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010816177	0	30	-2.0	-104.55	298.54	4.25	-100.30
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010816177	1	31	-1.0	-52.03	300.77	4.61	-47.42
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2CC1	REAL300010816178	0	48	-1.0	-58.13	391.57	5.74	-52.39
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(F)(F)F	REAL300010816179	0	40	-1.0	-51.56	363.37	5.23	-46.33
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1OC	REAL300010816180	0	41	-1.0	-49.72	372.24	5.37	-44.35
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816181	0	40	-1.0	-50.12	344.47	6.02	-44.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816182	0	40	-1.0	-49.85	340.30	5.73	-44.12
CNC(=O)C1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816183	0	41	-1.0	-56.89	358.65	2.76	-54.13
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816184	0	45	-1.0	-56.56	381.82	5.06	-51.50
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010816185	0	31	-1.0	-49.38	293.41	4.03	-45.35
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010816185	1	30	-2.0	-103.32	298.40	3.97	-99.35
O=C([O-])CCCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010816186	0	44	-1.0	-53.37	379.20	5.33	-48.04
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010816187	0	40	-1.0	-49.42	365.79	5.48	-43.94
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010816187	1	39	-2.0	-98.00	370.82	5.43	-92.57
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010816188	0	33	-1.0	-52.85	324.48	5.55	-47.30
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010816188	1	32	-2.0	-99.94	323.73	5.23	-94.71
O=C([O-])CCCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010816189	0	40	-1.0	-60.19	339.55	0.94	-59.25
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816190	0	38	-2.0	-102.54	344.41	4.91	-97.63
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1OC	REAL300010816191	0	42	-1.0	-52.94	373.89	3.55	-49.39
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(F)C=C1C	REAL300010816192	0	43	-1.0	-50.11	369.29	5.63	-44.48
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816193	0	45	-1.0	-56.26	389.96	1.96	-54.30
COCC1=CC=C(OC)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816194	0	42	-1.0	-51.39	354.01	3.31	-48.08
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816195	0	44	-1.0	-52.59	375.46	5.16	-47.43
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1C	REAL300010816196	0	43	-1.0	-50.24	371.12	5.87	-44.37
O=C([O-])CCCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010816197	0	34	-1.0	-49.36	304.39	4.65	-44.71
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816198	0	43	-1.0	-54.39	377.23	6.13	-48.26
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816199	0	37	-1.0	-51.02	351.71	6.05	-44.97
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816199	1	36	-2.0	-106.81	353.51	6.00	-100.81
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010816200	0	34	-1.0	-48.65	320.03	5.87	-42.78
CC(COC1CCCC1)CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816201	0	47	-1.0	-50.91	379.23	5.13	-45.78
CC1=C(CCS(=O)(=O)NCCCCC(=O)[O-])SC=N1	REAL300010816202	0	36	-1.0	-51.98	327.19	2.99	-48.99
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010816203	0	37	-1.0	-50.82	340.40	5.78	-45.04
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816204	0	40	-1.0	-52.27	353.28	5.08	-47.19
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010816205	0	41	-1.0	-51.78	352.62	7.18	-44.60
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816206	0	45	-1.0	-54.20	397.55	1.56	-52.64
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300010816207	0	34	-1.0	-50.94	318.96	5.04	-45.90
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN1C	REAL300010816208	0	43	-1.0	-52.41	380.44	4.96	-47.45
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Cl	REAL300010816209	0	37	-1.0	-55.91	348.94	1.68	-54.23
O=C([O-])CCCCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010816210	0	35	-1.0	-51.42	326.18	4.64	-46.78
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010816211	0	34	-1.0	-50.34	310.60	4.63	-45.71
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816212	0	33	-1.0	-49.29	306.10	3.16	-46.13
CC1=NC(S(=O)(=O)NCCCCC(=O)[O-])=C(Br)N1C	REAL300010816213	0	34	-1.0	-53.84	318.81	3.33	-50.51
CC1=NC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(Br)N1C	REAL300010816213	1	33	-2.0	-111.46	316.78	2.84	-108.62
O=C([O-])CCCCNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010816214	0	32	-1.0	-49.35	301.80	2.62	-46.73
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816215	0	44	-1.0	-56.82	370.56	4.60	-52.22
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010816216	0	34	-2.0	-94.49	315.94	3.37	-91.12
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010816216	1	35	-1.0	-50.32	326.90	2.50	-47.82
CCOC(=O)CC1(S(=O)(=O)NCCCCC(=O)[O-])CC1	REAL300010816217	0	40	-1.0	-55.36	338.55	5.12	-50.24
O=C([O-])CCCCNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010816218	0	48	-1.0	-58.53	423.31	4.17	-54.36
N#CC1=CC(F)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Br	REAL300010816219	0	32	-1.0	-48.68	317.11	4.41	-44.27
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C=C1Br	REAL300010816219	1	31	-2.0	-94.98	322.15	4.35	-90.63
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816220	0	42	-1.0	-53.28	369.66	3.15	-50.13
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010816221	0	46	-1.0	-51.74	391.35	6.59	-45.15
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816222	0	43	-1.0	-56.40	382.08	2.98	-53.42
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010816223	0	36	-1.0	-52.15	324.84	0.96	-51.19
COC(=O)C1(CS(=O)(=O)NCCCCC(=O)[O-])CCCC1	REAL300010816224	0	43	-1.0	-54.85	352.39	4.92	-49.93
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010816225	0	30	-1.0	-47.99	309.70	2.95	-45.04
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816226	0	38	-1.0	-50.20	350.21	4.00	-46.20
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010816227	0	37	-1.0	-48.37	332.85	5.28	-43.09
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010816228	0	42	-1.0	-49.46	383.82	7.13	-42.33
COC(=O)CC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816229	0	40	-1.0	-54.63	355.37	5.20	-49.43
O=C([O-])CCCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010816230	0	33	-1.0	-53.26	302.75	3.52	-49.74
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010816231	0	37	-1.0	-51.84	339.87	5.70	-46.14
COC(=O)C1(CS(=O)(=O)NCCCCC(=O)[O-])CCC1	REAL300010816232	0	40	-1.0	-55.21	337.38	4.15	-51.06
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010816233	0	31	-1.0	-48.98	310.98	3.96	-45.02
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816234	0	35	-1.0	-52.78	326.87	4.77	-48.01
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1I	REAL300010816235	0	34	-1.0	-49.77	323.77	5.40	-44.37
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816236	0	44	-1.0	-55.05	388.26	4.13	-50.92
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816237	0	47	-1.0	-54.88	410.12	5.06	-49.82
COC(=O)C1(CS(=O)(=O)NCCCCC(=O)[O-])CCCCC1	REAL300010816238	0	46	-1.0	-53.84	364.60	5.25	-48.59
COC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN=C1C	REAL300010816239	0	39	-1.0	-49.93	344.67	3.11	-46.82
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010816240	0	35	-1.0	-52.71	322.46	3.31	-49.40
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816241	0	40	-1.0	-49.87	371.79	5.85	-44.02
N#CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816242	0	32	-1.0	-50.20	305.13	4.20	-46.00
O=C([O-])CCCCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010816243	0	47	-1.0	-58.19	411.52	5.64	-52.55
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010816244	0	33	-1.0	-51.86	315.79	3.05	-48.81
O=C([O-])CCCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300010816245	0	44	-1.0	-49.61	335.84	5.78	-43.83
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010816246	0	40	-1.0	-53.41	343.22	5.36	-48.05
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010816247	0	32	-1.0	-54.22	306.20	3.02	-51.20
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010816248	0	37	-1.0	-53.11	334.34	5.35	-47.76
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010816249	0	34	-1.0	-52.19	317.88	2.72	-49.47
CN1C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010816249	1	33	-2.0	-103.01	314.81	2.24	-100.77
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010816250	0	33	-1.0	-47.76	318.50	5.80	-41.96
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010816250	1	32	-2.0	-99.11	317.29	5.56	-93.55
COC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(F)C=C1C	REAL300010816251	0	40	-1.0	-50.39	347.44	4.70	-45.69
CC1=CC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C2N=C1Cl	REAL300010816252	0	39	-1.0	-50.48	354.89	5.15	-45.33
O=C([O-])CCCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300010816253	0	40	-1.0	-50.08	331.46	4.91	-45.17
O=C([O-])CCCCNS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010816254	0	41	-1.0	-51.75	357.70	4.53	-47.22
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCCCC(=O)[O-])C(C(C)C)=C1	REAL300010816255	0	58	-1.0	-47.47	436.68	9.61	-37.86
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010816256	0	36	-1.0	-51.25	325.21	5.31	-45.94
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816257	0	43	-1.0	-54.01	378.84	6.07	-47.94
COC(=O)C1=NC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816258	0	36	-1.0	-53.65	318.45	3.47	-50.18
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816259	0	38	-1.0	-49.28	346.64	4.07	-45.21
COC1=CC=C2C=C(S(=O)(=O)NCCCCC(=O)[O-])CCC2=C1	REAL300010816260	0	43	-1.0	-50.48	362.34	5.46	-45.02
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010816261	0	39	-1.0	-50.47	338.95	4.73	-45.74
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010816262	0	34	-1.0	-51.16	314.59	4.22	-46.94
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010816262	1	33	-2.0	-100.23	312.34	3.86	-96.37
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010816263	0	34	-1.0	-50.31	329.72	5.82	-44.49
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010816263	1	33	-2.0	-105.81	327.47	5.45	-100.36
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816264	0	45	-1.0	-59.52	393.16	1.91	-57.61
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816264	1	44	-2.0	-100.93	389.92	1.99	-98.94
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010816265	0	34	-1.0	-52.68	329.19	5.14	-47.54
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816266	0	40	-1.0	-62.30	362.86	1.99	-60.31
CC1=CC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2C=C1	REAL300010816267	0	40	-1.0	-50.87	345.71	6.70	-44.17
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816268	0	40	-1.0	-51.70	361.72	5.74	-45.96
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010816269	0	46	-1.0	-56.54	400.03	4.32	-52.22
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816270	0	44	-1.0	-53.98	374.86	4.12	-49.86
O=C([O-])CCCCNS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010816271	0	34	-1.0	-52.67	321.06	4.95	-47.72
O=C([O-])CCCCNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010816272	0	37	-1.0	-53.04	321.56	5.76	-47.28
CCC1=CC(CC)=C(S(=O)(=O)NCCCCC(=O)[O-])C(CC)=C1	REAL300010816273	0	49	-1.0	-47.97	378.38	8.50	-39.47
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C12	REAL300010816274	0	50	-1.0	-52.34	419.92	4.54	-47.80
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010816275	0	38	-1.0	-55.78	334.41	3.52	-52.26
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010816276	0	33	-1.0	-52.33	326.57	3.68	-48.65
COC1=CC(OC)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Cl	REAL300010816277	0	39	-1.0	-49.70	344.44	3.46	-46.24
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010816278	0	39	-1.0	-54.45	349.57	2.32	-52.13
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816279	0	36	-1.0	-55.35	332.65	-1.28	-56.63
CC(C)(CCS(=O)(=O)NCCCCC(=O)[O-])S(C)(=O)=O	REAL300010816280	0	42	-1.0	-61.41	351.66	0.88	-60.53
COC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Cl	REAL300010816281	0	35	-1.0	-49.21	323.96	3.62	-45.59
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010816282	0	34	-1.0	-51.51	308.36	1.02	-50.49
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816283	0	44	-1.0	-55.41	374.17	5.18	-50.23
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010816284	0	40	-1.0	-50.45	349.48	6.75	-43.70
O=C([O-])CCCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010816285	0	35	-1.0	-48.14	315.09	3.93	-44.21
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010816286	0	35	-1.0	-47.92	325.41	4.38	-43.54
COC(=O)CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816287	0	40	-1.0	-53.56	360.83	5.25	-48.31
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816288	0	44	-1.0	-52.98	369.77	5.70	-47.28
COC1=CC=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816289	0	35	-1.0	-49.38	305.33	3.66	-45.72
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010816290	0	34	-1.0	-51.05	336.96	5.53	-45.52
O=C([O-])CCCCNS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010816291	0	34	-1.0	-50.35	335.61	5.54	-44.81
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010816292	0	34	-1.0	-48.67	318.02	2.86	-45.81
CCC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816293	0	39	-1.0	-55.22	340.84	5.58	-49.64
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816294	0	47	-1.0	-50.00	375.05	5.90	-44.10
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C21	REAL300010816295	0	38	-1.0	-52.72	353.85	6.14	-46.58
N#CCC1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816296	0	38	-1.0	-56.89	344.42	5.65	-51.24
COC1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Cl	REAL300010816297	0	34	-1.0	-48.95	321.67	0.99	-47.96
CCOC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816298	0	40	-1.0	-52.94	353.25	5.10	-47.84
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816299	0	40	-1.0	-51.50	371.91	5.41	-46.09
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010816300	0	34	-1.0	-51.17	318.90	5.00	-46.17
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Cl	REAL300010816301	0	34	-1.0	-48.27	313.89	4.86	-43.41
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010816302	0	37	-1.0	-57.82	326.53	4.75	-53.07
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2)=N1	REAL300010816303	0	40	-1.0	-51.78	364.66	5.23	-46.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1F	REAL300010816304	0	37	-1.0	-54.62	346.37	4.64	-49.98
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816304	1	36	-2.0	-104.88	351.30	4.57	-100.31
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816305	0	40	-1.0	-52.27	351.70	4.79	-47.48
CCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816306	0	38	-1.0	-49.44	329.76	3.99	-45.45
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816307	0	37	-1.0	-51.03	334.61	5.64	-45.39
O=C([O-])CCCCNS(=O)(=O)CCCC1CCOCC1	REAL300010816308	0	44	-1.0	-51.62	357.09	3.82	-47.80
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010816309	0	46	-1.0	-55.10	393.03	1.57	-53.53
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010816310	0	39	-1.0	-50.77	321.77	4.95	-45.82
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010816311	0	38	-1.0	-57.19	343.53	1.62	-55.57
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010816312	0	31	-1.0	-47.90	301.02	4.33	-43.57
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])SC(Br)=C1	REAL300010816313	0	31	-1.0	-48.28	308.31	4.31	-43.97
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010816314	0	40	-1.0	-51.82	340.16	4.11	-47.71
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816315	0	41	-1.0	-55.45	341.39	2.38	-53.07
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010816316	0	37	-1.0	-51.66	330.09	5.34	-46.32
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=CC=C1F	REAL300010816317	0	37	-1.0	-52.97	329.24	5.30	-47.67
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010816318	0	37	-1.0	-52.04	336.36	5.63	-46.41
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816319	0	35	-1.0	-47.38	325.93	4.26	-43.12
COC1=CC2=C(C=C1S(=O)(=O)NCCCCC(=O)[O-])C(=O)NCCC2	REAL300010816320	0	46	-1.0	-55.76	375.05	2.68	-53.08
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCCCC(=O)[O-])S2)C1	REAL300010816321	0	42	-1.0	-55.22	368.23	4.19	-51.03
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010816322	0	38	-1.0	-51.38	348.66	6.04	-45.34
COC(CS(=O)(=O)NCCCCC(=O)[O-])C1CCOC1	REAL300010816323	0	42	-1.0	-50.35	343.20	1.58	-48.77
O=C([O-])CCCCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010816324	0	34	-1.0	-50.56	325.27	5.11	-45.45
NC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(F)C=C1Br	REAL300010816325	0	35	-1.0	-51.95	327.40	0.92	-51.03
NC(=O)C1=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(F)C=C1Br	REAL300010816325	1	34	-2.0	-97.36	332.42	0.86	-96.50
O=C([O-])CCCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010816326	0	34	-1.0	-50.97	322.05	4.98	-45.99
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010816327	0	31	-1.0	-47.36	316.44	4.90	-42.46
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816328	0	38	-1.0	-59.06	334.35	1.20	-57.86
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816329	0	56	-1.0	-49.62	458.77	8.69	-40.93
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816330	0	46	-1.0	-52.94	388.28	6.11	-46.83
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816331	0	41	-1.0	-48.64	363.58	5.94	-42.70
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010816332	0	31	-1.0	-47.84	305.43	4.43	-43.41
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816333	0	37	-1.0	-51.85	337.74	4.45	-47.40
COC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010816334	0	45	-1.0	-52.24	386.59	6.82	-45.42
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010816335	0	45	-1.0	-51.28	395.90	7.12	-44.16
O=C([O-])CCCCNS(=O)(=O)C1=NC=CC=C1Br	REAL300010816336	0	30	-1.0	-52.10	287.42	2.81	-49.29
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010816336	1	29	-2.0	-108.25	288.69	2.18	-106.07
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C2)=N1	REAL300010816337	0	43	-1.0	-54.49	371.11	3.77	-50.72
COC(CS(=O)(=O)NCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010816338	0	41	-1.0	-51.49	360.23	4.88	-46.61
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010816339	0	43	-1.0	-53.43	362.48	5.20	-48.23
COC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])N(C)N=C1	REAL300010816340	0	37	-1.0	-52.98	325.24	2.72	-50.26
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Cl	REAL300010816341	0	39	-1.0	-51.46	360.32	2.66	-48.80
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCCCC(=O)[O-])C=CC=C12	REAL300010816342	0	43	-1.0	-53.10	369.49	6.63	-46.47
COC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C	REAL300010816343	0	42	-1.0	-54.18	364.13	2.96	-51.22
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1F	REAL300010816344	0	37	-1.0	-54.67	336.05	4.19	-50.48
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816344	1	36	-2.0	-104.46	340.98	4.13	-100.33
CC(=O)N1CCC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(Cl)C=C21	REAL300010816345	0	42	-1.0	-61.33	360.66	4.94	-56.39
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816346	0	44	-1.0	-50.16	368.45	5.42	-44.74
COC(CS(=O)(=O)NCCCCC(=O)[O-])C1CCCC1	REAL300010816347	0	44	-1.0	-49.90	355.77	4.09	-45.81
COC(CS(=O)(=O)NCCCCC(=O)[O-])C1CCCCC1	REAL300010816348	0	47	-1.0	-50.40	370.10	4.79	-45.61
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010816349	0	34	-1.0	-49.34	318.16	3.27	-46.07
CCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)C	REAL300010816350	0	50	-1.0	-49.54	409.88	6.81	-42.73
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010816351	0	34	-1.0	-58.62	327.88	3.57	-55.05
COC1=CC(F)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816352	0	35	-1.0	-48.62	305.34	3.66	-44.96
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010816353	0	39	-1.0	-50.89	341.55	6.23	-44.66
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816354	0	38	-1.0	-48.92	324.98	3.64	-45.28
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010816355	0	44	-1.0	-49.88	379.38	6.09	-43.79
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCCCC(=O)[O-])O1	REAL300010816356	0	37	-1.0	-52.24	335.85	3.13	-49.11
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCCC(=O)[O-])O1	REAL300010816356	1	36	-2.0	-98.83	333.61	2.77	-96.06
CCC1=NC(S(=O)(=O)NCCCCC(=O)[O-])=CN1CC1CC1	REAL300010816357	0	44	-1.0	-54.79	370.45	5.69	-49.10
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816358	0	37	-1.0	-51.36	343.92	5.87	-45.49
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2C1	REAL300010816359	0	42	-1.0	-55.20	361.86	4.23	-50.97
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816360	0	34	-1.0	-49.73	320.03	2.38	-47.35
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010816361	0	42	-1.0	-52.20	379.05	7.86	-44.34
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816362	0	34	-1.0	-49.32	320.20	5.33	-43.99
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010816363	0	41	-1.0	-52.91	344.52	7.17	-45.74
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010816364	0	51	-1.0	-50.83	433.76	8.66	-42.17
CC1=CC=C(Br)C(CS(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816365	0	37	-1.0	-51.76	340.30	5.70	-46.06
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816366	0	38	-1.0	-52.52	347.14	4.40	-48.12
O=C([O-])CCCCNS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010816367	0	37	-1.0	-52.42	334.31	5.32	-47.10
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1F	REAL300010816368	0	34	-1.0	-53.84	303.31	4.22	-49.62
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010816369	0	30	-1.0	-52.64	293.24	2.11	-50.53
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010816369	1	29	-2.0	-98.86	298.14	2.07	-96.79
CC(C)OC1=CN=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816370	0	40	-1.0	-49.74	342.86	2.82	-46.92
O=C([O-])CCCCNS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010816371	0	37	-1.0	-55.71	321.85	1.85	-53.86
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010816372	0	38	-1.0	-51.13	353.96	3.06	-48.07
COC(=O)C1=C(S(=O)(=O)[N-]CCCCC(=O)[O-])OC=C1	REAL300010816373	0	33	-2.0	-111.08	309.55	2.78	-108.30
COC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])OC=C1	REAL300010816373	1	34	-1.0	-55.32	309.94	3.11	-52.21
CCC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(C)C=C1OC	REAL300010816374	0	44	-1.0	-50.61	364.29	5.44	-45.17
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010816375	0	37	-1.0	-48.39	349.63	5.64	-42.75
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816376	0	39	-1.0	-51.71	348.90	4.76	-46.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCCCC(=O)[O-])=N1	REAL300010816377	0	32	-2.0	-116.64	304.52	2.30	-114.34
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCCCC(=O)[O-])=N1	REAL300010816377	1	33	-1.0	-56.37	305.51	2.76	-53.61
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816378	0	34	-1.0	-48.94	329.24	5.74	-43.20
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010816379	0	40	-1.0	-51.44	329.15	6.81	-44.63
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010816380	0	38	-1.0	-50.27	349.18	3.67	-46.60
CC1=CC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C2NC1=O	REAL300010816381	0	40	-1.0	-53.71	349.48	3.50	-50.21
CN1N=NC2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816382	0	36	-1.0	-52.84	322.27	2.22	-50.62
CC1=NC(S(=O)(=O)NCCCCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010816383	0	40	-1.0	-53.56	358.66	5.38	-48.18
O=C([O-])CCCCNS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010816384	0	31	-1.0	-51.56	294.93	1.39	-50.17
O=C([O-])CCCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010816384	1	30	-2.0	-100.04	291.85	0.92	-99.12
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010816385	0	36	-1.0	-50.66	320.89	4.69	-45.97
O=C([O-])CCCCNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010816386	0	37	-1.0	-52.87	333.57	4.95	-47.92
C[NH+]1CCN(CCCS(=O)(=O)NCCCCC(=O)[O-])CC1	REAL300010816387	0	48	0.0	-75.17	380.21	2.98	-72.19
CN1CCN(CCCS(=O)(=O)NCCCCC(=O)[O-])CC1	REAL300010816387	1	47	-1.0	-51.38	376.15	0.48	-50.90
CN1N=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1Br	REAL300010816388	0	31	-1.0	-48.99	291.73	1.49	-47.50
CN1N=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1I	REAL300010816389	0	31	-1.0	-48.17	295.25	1.83	-46.34
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816390	0	35	-1.0	-49.20	311.73	4.83	-44.37
CC(C)OC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816391	0	40	-1.0	-49.48	347.59	2.32	-47.16
CCCCN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=N1	REAL300010816392	0	43	-1.0	-51.71	368.57	4.45	-47.26
COC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C(OC)C=C1F	REAL300010816393	0	41	-1.0	-50.88	358.11	4.27	-46.61
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816394	0	41	-1.0	-53.96	352.02	4.55	-49.41
COC1=C(F)C=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816395	0	35	-1.0	-51.05	303.05	3.87	-47.18
CCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)C	REAL300010816396	0	47	-1.0	-49.85	388.38	6.01	-43.84
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816397	0	43	-1.0	-50.20	356.65	6.03	-44.17
N#CC1=CC(F)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816398	0	32	-1.0	-49.68	305.65	4.22	-45.46
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010816399	0	34	-1.0	-51.34	322.06	4.98	-46.36
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010816400	0	50	-1.0	-51.09	404.03	8.29	-42.80
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816401	0	36	-1.0	-52.99	341.48	3.94	-49.05
O=C([O-])CCCCNS(=O)(=O)C1=C(Br)NC=N1	REAL300010816402	0	28	-1.0	-52.96	276.69	1.86	-51.10
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010816402	1	27	-2.0	-107.83	276.63	1.33	-106.50
O=C([O-])CCCCNS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010816403	0	39	-1.0	-57.10	347.02	4.62	-52.48
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010816404	0	30	-1.0	-49.04	292.08	2.44	-46.60
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010816404	1	29	-2.0	-95.96	301.21	2.60	-93.36
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010816405	0	30	-1.0	-52.74	288.65	2.03	-50.71
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010816405	1	29	-2.0	-98.67	293.54	1.99	-96.68
COC1=NC=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816406	0	34	-1.0	-48.26	318.11	1.57	-46.69
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010816407	0	36	-1.0	-51.16	333.92	4.61	-46.55
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010816408	0	33	-1.0	-50.09	318.17	3.63	-46.46
O=C([O-])CCCCNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010816409	0	41	-1.0	-52.62	363.22	4.40	-48.22
CC1(CS(=O)(=O)NCCCCC(=O)[O-])CC1(Cl)Cl	REAL300010816410	0	34	-1.0	-49.11	320.14	4.60	-44.51
O=C([O-])CCCCNS(=O)(=O)CC1=C(Br)SC=N1	REAL300010816411	0	30	-1.0	-52.54	306.66	2.12	-50.42
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010816412	0	33	-1.0	-50.24	331.92	3.87	-46.37
CCS(=O)(CC)=NS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816413	0	37	-1.0	-64.53	322.87	1.34	-63.19
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010816414	0	33	-1.0	-51.18	312.24	5.06	-46.12
O=C([O-])CCCCNS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010816415	0	39	-1.0	-56.61	323.23	2.72	-53.89
CCOC(=O)C1(S(=O)(=O)NCCCCC(=O)[O-])CCC1	REAL300010816416	0	40	-1.0	-49.23	338.49	4.76	-44.47
CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCCC(=O)[O-])C1	REAL300010816417	0	42	-1.0	-59.23	364.03	0.35	-58.88
O=C([O-])CCCCNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010816418	0	32	-1.0	-49.56	323.57	2.87	-46.69
COC(=O)C1=CC=C(CS(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816419	0	40	-1.0	-54.25	356.98	5.14	-49.11
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010816420	0	33	-2.0	-104.83	323.75	4.54	-100.29
O=C([O-])CCCCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010816420	1	34	-1.0	-50.96	325.00	4.82	-46.14
CN1N=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1C(F)(F)F	REAL300010816421	0	34	-1.0	-49.51	312.05	2.49	-47.02
CN1N=CC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1C(F)(F)F	REAL300010816421	1	33	-2.0	-98.59	309.31	2.03	-96.56
CN1N=C2CCCCC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816422	0	41	-1.0	-49.48	337.38	3.80	-45.68
O=C([O-])CCCCNS(=O)(=O)C1=CSC=C1Br	REAL300010816423	0	28	-1.0	-49.72	275.41	2.83	-46.89
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300010816424	0	43	-1.0	-52.87	349.06	4.02	-48.85
O=C([O-])CCCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010816425	0	41	-1.0	-51.70	345.81	4.12	-47.58
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816426	0	34	-1.0	-50.17	304.65	2.35	-47.82
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(Br)=N1	REAL300010816427	0	31	-1.0	-53.96	293.65	1.54	-52.42
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010816428	0	33	-1.0	-50.10	310.41	3.02	-47.08
COC1=CC=C(F)C=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816429	0	38	-1.0	-52.68	336.75	3.92	-48.76
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010816430	0	45	-1.0	-54.56	384.32	4.97	-49.59
C=CCCC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816431	0	41	-1.0	-49.14	355.62	6.55	-42.59
COC(=O)C1=CNN=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816432	0	34	-1.0	-57.28	307.23	1.32	-55.96
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816432	1	33	-2.0	-117.96	308.45	0.97	-116.99
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816433	0	34	-1.0	-48.82	329.33	5.74	-43.08
CC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816434	0	36	-1.0	-54.04	324.21	4.25	-49.79
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816435	0	40	-1.0	-60.66	342.01	1.78	-58.88
CCCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)C	REAL300010816436	0	53	-1.0	-48.97	431.37	7.60	-41.37
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010816437	0	34	-1.0	-51.04	315.09	4.66	-46.38
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010816438	0	42	-1.0	-53.19	355.68	3.95	-49.24
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010816439	0	35	-1.0	-49.63	327.05	5.46	-44.17
CCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)(C)C	REAL300010816440	0	53	-1.0	-49.51	422.43	7.48	-42.03
CCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1CC	REAL300010816441	0	47	-1.0	-49.10	392.96	6.28	-42.82
N#CCCC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816442	0	38	-1.0	-54.51	342.16	5.72	-48.79
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816443	0	37	-1.0	-47.07	321.25	5.75	-41.32
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816444	0	45	-1.0	-52.31	370.97	3.46	-48.85
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010816445	0	34	-1.0	-52.94	333.71	5.49	-47.45
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010816446	0	34	-1.0	-53.77	324.59	5.08	-48.69
O=C([O-])CCCCNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010816447	0	41	-1.0	-56.91	360.53	5.68	-51.23
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816448	0	37	-1.0	-50.70	339.26	5.67	-45.03
CC1=CN=C(Cl)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816449	0	33	-1.0	-52.39	296.78	2.59	-49.80
COC1=CC=C(Br)C(S(=O)(=O)NCCCCC(=O)[O-])=C1F	REAL300010816450	0	35	-1.0	-53.97	327.37	3.99	-49.98
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1F	REAL300010816450	1	34	-2.0	-109.51	325.13	3.63	-105.88
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816451	0	41	-1.0	-51.77	352.99	6.07	-45.70
CCOC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])N(C)N=C1	REAL300010816452	0	40	-1.0	-52.83	347.10	3.65	-49.18
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010816453	0	35	-1.0	-50.46	324.56	5.37	-45.09
O=C([O-])CCCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010816454	0	36	-1.0	-52.02	311.27	0.70	-51.32
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C=C(C(N)=O)O1	REAL300010816455	0	35	-1.0	-55.75	318.88	-0.67	-56.42
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(=O)OC	REAL300010816456	0	43	-1.0	-55.15	384.10	5.42	-49.73
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816457	0	44	-1.0	-53.52	379.62	4.54	-48.98
O=C([O-])CCCCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010816458	0	40	-1.0	-55.56	340.54	4.48	-51.08
O=C([O-])CCCCNS(=O)(=O)C1=CSC=C1C(F)F	REAL300010816459	0	31	-1.0	-48.22	292.79	3.96	-44.26
COC(=O)C1=CC=NC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816460	0	36	-1.0	-55.21	329.42	2.54	-52.67
O=C([O-])CCCCNS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010816461	0	37	-1.0	-51.38	330.08	5.34	-46.04
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816462	0	47	-1.0	-51.00	393.97	6.55	-44.45
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010816463	0	36	-1.0	-53.04	314.58	4.31	-48.73
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816464	0	51	-1.0	-55.92	403.93	6.18	-49.74
COC(=O)C1=CN(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816465	0	38	-1.0	-57.16	333.63	3.73	-53.43
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C21	REAL300010816466	0	45	-1.0	-51.32	373.97	3.84	-47.48
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010816467	0	46	-1.0	-63.69	389.10	6.42	-57.27
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C21	REAL300010816468	0	45	-1.0	-63.49	379.24	5.70	-57.79
O=C([O-])CCCCNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010816469	0	38	-2.0	-99.60	323.91	3.46	-96.14
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2)C=C1	REAL300010816470	0	46	-1.0	-50.22	407.31	7.62	-42.60
O=C([O-])CCCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010816471	0	38	-1.0	-52.31	328.31	3.44	-48.87
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010816472	0	38	-1.0	-50.45	320.80	3.36	-47.09
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010816473	0	41	-1.0	-49.86	337.90	4.10	-45.76
COC(=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CC=C12	REAL300010816474	0	43	-1.0	-52.08	369.16	6.64	-45.44
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816475	0	44	-1.0	-52.62	375.45	5.15	-47.47
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816476	0	41	-1.0	-52.37	351.89	4.58	-47.79
CC1(C)COC2=C(S(=O)(=O)NCCCCC(=O)[O-])C=NN2C1	REAL300010816477	0	42	-1.0	-51.20	349.33	1.81	-49.39
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010816478	0	37	-1.0	-50.65	345.26	4.67	-45.98
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010816479	0	37	-1.0	-52.84	329.14	0.99	-51.85
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010816480	0	27	-2.0	-101.17	277.94	2.07	-99.10
O=C([O-])CCCCNS(=O)(=O)C1=C(Br)C=CO1	REAL300010816480	1	28	-1.0	-50.11	278.32	2.42	-47.69
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300010816481	0	38	-1.0	-50.25	319.37	3.72	-46.53
COC1=C(F)C=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816482	0	35	-1.0	-49.42	324.28	3.31	-46.11
COC1=CC(F)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1F	REAL300010816483	0	35	-1.0	-49.67	312.36	2.89	-46.78
CCCCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)C	REAL300010816484	0	56	-1.0	-49.40	452.88	8.38	-41.02
COC1=CC(C(C)C)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C	REAL300010816485	0	47	-1.0	-50.50	381.91	5.88	-44.62
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816486	0	41	-1.0	-49.08	345.05	5.19	-43.89
CCOCCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(C)C	REAL300010816487	0	54	-1.0	-52.18	443.86	6.23	-45.95
CC1CC2=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C2O1	REAL300010816488	0	39	-1.0	-51.85	323.79	4.20	-47.65
CC(C)(C)C1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816489	0	39	-1.0	-49.00	347.08	3.43	-45.57
N#CC1(C2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2)CC1	REAL300010816490	0	39	-1.0	-53.01	346.66	5.97	-47.04
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816491	0	35	-1.0	-50.49	316.95	4.39	-46.10
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816491	1	34	-2.0	-106.09	312.60	4.07	-102.02
CC1=C(Br)C(S(=O)(=O)NCCCCC(=O)[O-])=C(C)S1	REAL300010816492	0	34	-1.0	-49.15	323.09	5.15	-44.00
CC1=CC(Cl)=C(S(=O)(=O)NCCCCC(=O)[O-])C(Br)=C1	REAL300010816493	0	34	-1.0	-49.34	324.12	5.76	-43.58
COC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=N1	REAL300010816494	0	36	-1.0	-52.05	329.35	2.60	-49.45
COC(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1Br	REAL300010816495	0	37	-1.0	-52.62	344.63	5.01	-47.61
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C21	REAL300010816496	0	48	-1.0	-58.97	387.07	5.81	-53.16
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010816497	0	37	-1.0	-51.21	332.09	4.39	-46.82
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C21	REAL300010816498	0	45	-1.0	-59.15	377.85	5.38	-53.77
CN1N=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816499	0	31	-1.0	-49.34	300.38	1.88	-47.46
O=C([O-])CCCCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010816500	0	33	-1.0	-48.52	312.55	2.95	-45.57
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816501	0	36	-1.0	-58.01	319.11	3.37	-54.64
O=C([O-])CCCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010816502	0	35	-1.0	-52.89	326.40	4.01	-48.88
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010816503	0	34	-1.0	-59.04	323.32	3.46	-55.58
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010816504	0	34	-1.0	-51.66	317.26	5.19	-46.47
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816505	0	38	-1.0	-49.85	329.34	3.53	-46.32
CC1=CC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])C(C)=C1F	REAL300010816506	0	40	-1.0	-49.19	326.55	5.78	-43.41
COC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1OC	REAL300010816507	0	39	-1.0	-52.25	326.07	3.56	-48.69
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010816508	0	40	-1.0	-60.07	346.75	0.99	-59.08
N#CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Br	REAL300010816509	0	32	-1.0	-51.82	318.94	4.66	-47.16
COC1=CC=C(F)C(S(=O)(=O)NCCCCC(=O)[O-])=C1OC	REAL300010816510	0	39	-1.0	-52.78	337.84	4.08	-48.70
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1	REAL300010816511	0	33	-2.0	-95.11	334.81	2.77	-92.34
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816511	1	34	-1.0	-51.04	337.05	3.14	-47.90
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(I)S1	REAL300010816512	0	28	-1.0	-48.44	298.57	3.96	-44.48
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2CCCC2)=N1	REAL300010816513	0	44	-1.0	-51.65	351.65	4.01	-47.64
N#CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CC=C2S1	REAL300010816514	0	35	-1.0	-53.58	329.27	5.68	-47.90
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2CC2)=N1	REAL300010816515	0	38	-1.0	-51.89	322.05	3.14	-48.75
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010816516	0	33	-2.0	-96.66	305.09	4.07	-92.59
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010816517	0	35	-1.0	-52.19	317.67	3.34	-48.85
O=C([O-])CCCCNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010816518	0	35	-1.0	-55.64	326.33	4.01	-51.63
O=C([O-])CCCCNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010816519	0	34	-1.0	-53.19	307.84	2.99	-50.20
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010816519	1	33	-2.0	-110.80	305.60	2.62	-108.18
CN1N=NC2=C(S(=O)(=O)NCCCCC(=O)[O-])C=CC=C21	REAL300010816520	0	36	-1.0	-61.85	316.75	2.18	-59.67
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010816521	0	31	-2.0	-94.04	309.69	3.43	-90.61
CC1=CC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1Br	REAL300010816522	0	37	-1.0	-50.17	332.64	5.85	-44.32
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010816523	0	37	-1.0	-49.18	346.63	4.90	-44.28
O=C([O-])CCCCNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010816524	0	34	-1.0	-50.08	301.40	3.64	-46.44
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2CCC2)=N1	REAL300010816525	0	41	-1.0	-51.62	334.69	3.51	-48.11
O=C([O-])CCCCNS(=O)(=O)NCCC1=CC=CC=C1	REAL300010816526	0	39	-1.0	-50.01	339.04	3.76	-46.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816527	0	49	-1.0	-49.78	392.56	7.77	-42.01
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010816528	0	37	-1.0	-48.66	349.63	5.64	-43.02
O=C([O-])CCCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010816529	0	41	-1.0	-50.92	352.39	4.40	-46.52
O=C([O-])CCCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010816530	0	35	-1.0	-50.34	310.00	4.74	-45.60
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010816531	0	42	-1.0	-49.53	368.18	6.58	-42.95
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816532	0	44	-1.0	-55.75	368.22	2.17	-53.58
COC1=C(S(=O)(=O)NCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010816533	0	40	-1.0	-59.72	343.85	4.98	-54.74
COC(=O)C1=NN(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816534	0	37	-1.0	-53.54	334.70	2.10	-51.44
N#CC1=CC=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816535	0	32	-1.0	-53.80	290.40	3.57	-50.23
CN1N=C2CCCC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816536	0	38	-1.0	-50.38	323.11	3.32	-47.06
O=C([O-])CCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010816537	0	35	-1.0	-50.14	334.87	5.11	-45.03
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2C=C1	REAL300010816538	0	43	-1.0	-53.17	379.09	6.67	-46.50
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010816539	0	40	-1.0	-51.43	367.44	6.36	-45.07
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816540	0	40	-1.0	-50.58	327.06	3.43	-47.15
CC(C)(C)N1C=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816541	0	40	-1.0	-50.55	342.91	3.47	-47.08
O=C([O-])CCCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010816542	0	38	-1.0	-50.96	327.87	2.82	-48.14
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010816543	0	36	-1.0	-48.89	329.34	3.58	-45.31
O=C([O-])CCCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010816544	0	34	-1.0	-47.80	323.56	4.83	-42.97
O=C([O-])CCCCNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010816545	0	31	-1.0	-48.61	299.33	4.28	-44.33
O=C([O-])CCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010816546	0	31	-1.0	-47.87	310.17	3.86	-44.01
O=C([O-])CCCCNS(=O)(=O)N1CCC(F)(F)CC1	REAL300010816547	0	36	-1.0	-49.05	305.97	2.94	-46.11
CC(=O)NCC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816548	0	41	-1.0	-54.22	360.60	2.79	-51.43
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010816549	0	28	-1.0	-50.32	282.79	2.49	-47.83
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010816549	1	27	-2.0	-97.58	280.55	2.11	-95.47
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010816550	0	34	-1.0	-49.37	330.32	5.18	-44.19
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010816551	0	34	-1.0	-53.22	298.39	5.23	-47.99
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816552	0	42	-1.0	-54.49	363.00	5.80	-48.69
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010816553	0	42	-1.0	-50.13	348.04	6.80	-43.33
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816554	0	41	-1.0	-54.47	358.65	5.45	-49.02
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010816555	0	37	-1.0	-49.70	340.83	4.81	-44.89
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816556	0	36	-1.0	-49.54	329.44	4.27	-45.27
O=C([O-])CCCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010816557	0	38	-1.0	-54.46	331.46	2.11	-52.35
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816558	0	41	-1.0	-49.72	374.61	4.53	-45.19
O=C([O-])CCCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010816559	0	31	-1.0	-48.33	301.38	4.44	-43.89
O=C([O-])CCCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010816560	0	31	-1.0	-49.02	297.69	4.15	-44.87
O=C([O-])CCCCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010816561	0	34	-1.0	-48.95	309.69	5.41	-43.54
COC(=O)C1=C(C)SC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816562	0	37	-1.0	-49.82	344.58	4.12	-45.70
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010816563	0	38	-1.0	-51.09	325.90	5.62	-45.47
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010816564	0	33	-1.0	-48.45	332.80	3.98	-44.47
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010816565	0	41	-1.0	-50.88	344.49	4.19	-46.69
CCC(C)N1N=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816566	0	40	-1.0	-49.37	338.37	3.65	-45.72
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816567	0	40	-1.0	-55.50	349.61	1.28	-54.22
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816568	0	34	-1.0	-56.81	332.35	0.26	-56.55
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816569	0	40	-1.0	-55.50	349.61	1.28	-54.22
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010816570	0	34	-1.0	-50.28	303.36	5.33	-44.95
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816571	0	43	-1.0	-54.00	368.16	7.53	-46.47
CN(C1CCCCCC1)S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816572	0	45	-1.0	-48.12	349.06	4.75	-43.37
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010816573	0	31	-1.0	-51.00	302.26	2.98	-48.02
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010816573	1	30	-2.0	-96.43	300.02	2.61	-93.82
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816574	0	35	-1.0	-47.76	311.61	3.71	-44.05
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010816575	0	45	-1.0	-52.39	376.90	2.89	-49.50
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816576	0	37	-1.0	-49.86	331.63	5.30	-44.56
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010816577	0	35	-1.0	-51.27	317.67	3.34	-47.93
O=C([O-])CCCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010816578	0	46	-1.0	-49.46	373.93	6.42	-43.04
CC1=CC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])C2=NC=CC=C12	REAL300010816579	0	42	-1.0	-56.65	349.86	6.11	-50.54
O=C([O-])CCCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010816580	0	39	-1.0	-50.12	332.03	3.74	-46.38
CCOCC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816581	0	41	-1.0	-50.68	355.33	4.45	-46.23
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816582	0	40	-1.0	-52.96	357.99	6.00	-46.96
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010816583	0	34	-1.0	-50.37	337.69	5.77	-44.60
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816584	0	41	-1.0	-51.54	358.10	4.95	-46.59
O=C([O-])CCCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010816585	0	44	-1.0	-51.62	364.80	4.71	-46.91
O=C([O-])CCCCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010816586	0	34	-1.0	-50.12	333.19	5.95	-44.17
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010816586	1	33	-2.0	-104.88	330.94	5.58	-99.30
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010816587	0	42	-1.0	-49.93	367.11	6.61	-43.32
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816588	0	43	-1.0	-55.38	367.47	6.49	-48.89
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC(C)=C1Br	REAL300010816589	0	37	-1.0	-48.36	336.11	5.51	-42.85
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010816590	0	36	-1.0	-50.42	339.84	5.24	-45.18
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010816590	1	35	-2.0	-104.59	338.93	4.92	-99.67
O=C([O-])CCCCNS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010816591	0	30	-1.0	-52.84	302.42	2.03	-50.81
N#CC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1F	REAL300010816592	0	32	-1.0	-57.26	296.97	3.87	-53.39
O=C([O-])CCCCNS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010816593	0	35	-1.0	-53.46	317.37	3.25	-50.21
O=C([O-])CCCCNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010816594	0	37	-1.0	-50.23	351.80	4.92	-45.31
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010816594	1	36	-2.0	-101.14	353.42	4.71	-96.43
O=C([O-])CCCCNS(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010816595	0	30	-1.0	-48.36	296.03	2.40	-45.96
N#CC1(OCCS(=O)(=O)NCCCCC(=O)[O-])CCOCC1	REAL300010816596	0	43	-1.0	-53.32	362.51	1.49	-51.83
CCN1N=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1Cl	REAL300010816597	0	34	-1.0	-49.01	311.49	2.31	-46.70
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010816598	0	35	-1.0	-50.44	328.58	5.46	-44.98
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCCCC(=O)[O-])=C2	REAL300010816599	0	37	-1.0	-50.68	363.51	4.98	-45.70
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010816600	0	30	-2.0	-102.11	305.98	4.30	-97.81
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816601	0	33	-1.0	-53.30	312.28	2.71	-50.59
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816601	1	32	-2.0	-97.53	317.18	2.67	-94.86
O=C([O-])CCCCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010816602	0	36	-1.0	-55.16	334.88	4.94	-50.22
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010816603	0	36	-1.0	-53.80	331.56	4.76	-49.04
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816604	0	33	-1.0	-53.30	312.28	2.71	-50.59
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010816604	1	32	-2.0	-97.53	317.18	2.67	-94.86
O=C([O-])CCCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010816605	0	34	-1.0	-50.37	337.69	5.77	-44.60
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CC=C12	REAL300010816606	0	40	-1.0	-52.08	337.15	6.65	-45.43
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816607	0	35	-1.0	-54.27	330.27	4.77	-49.50
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816607	1	34	-2.0	-110.75	328.03	4.40	-106.35
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010816608	0	38	-1.0	-52.87	336.36	4.13	-48.74
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816609	0	45	-1.0	-51.98	383.00	5.27	-46.71
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010816610	0	31	-1.0	-51.28	298.74	4.06	-47.22
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010816610	1	30	-2.0	-98.34	303.71	4.00	-94.34
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCCCC(=O)[O-])O1	REAL300010816611	0	37	-1.0	-59.72	342.07	0.05	-59.67
CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010816612	0	41	-1.0	-51.40	345.68	4.66	-46.74
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010816613	0	37	-1.0	-52.68	347.09	1.36	-51.32
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010816614	0	35	-1.0	-50.47	316.72	5.01	-45.46
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010816615	0	35	-1.0	-49.60	331.61	5.56	-44.04
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010816616	0	35	-1.0	-49.93	331.61	5.57	-44.36
O=C([O-])CCCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300010816617	0	36	-1.0	-58.29	321.61	-2.29	-60.58
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010816618	0	33	-1.0	-51.44	309.37	3.16	-48.28
CC1=NC(S(=O)(=O)NCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010816619	0	40	-1.0	-55.48	352.28	2.94	-52.54
CC1=NC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010816619	1	39	-2.0	-114.68	352.22	2.37	-112.31
O=C([O-])CCCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010816620	0	48	-1.0	-49.74	355.41	6.65	-43.09
CC(C)(CS(=O)(=O)NCCCCC(=O)[O-])C(C)(F)F	REAL300010816621	0	39	-1.0	-50.00	317.41	4.23	-45.77
CS(=O)(=O)CCCCS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816622	0	39	-1.0	-61.50	348.90	0.57	-60.93
CC1(C)CCC(CS(=O)(=O)NCCCCC(=O)[O-])OC1	REAL300010816623	0	44	-1.0	-51.58	352.68	4.13	-47.45
CCOC(=O)C1=NC(S(=O)(=O)NCCCCC(=O)[O-])=C2C=CC=CN12	REAL300010816624	0	43	-1.0	-58.57	378.83	5.60	-52.97
O=C([O-])CCCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010816625	0	35	-1.0	-56.86	326.39	2.80	-54.06
COC(=O)C1=CN2C=NC(S(=O)(=O)NCCCCC(=O)[O-])=C2C=C1	REAL300010816626	0	40	-1.0	-56.88	359.83	5.65	-51.23
O=C([O-])CCCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010816627	0	41	-1.0	-52.89	361.71	6.66	-46.23
O=C([O-])CCCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010816628	0	40	-1.0	-54.59	332.46	1.20	-53.39
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCCCCC(=O)[O-]	REAL300010816629	0	40	-1.0	-56.33	351.36	4.64	-51.69
O=C([O-])CCCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010816630	0	44	-1.0	-49.83	345.75	5.75	-44.08
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010816631	0	35	-1.0	-49.77	322.23	5.08	-44.69
COC(=O)C1CCCCN1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816632	0	42	-1.0	-52.50	345.11	4.28	-48.22
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C21	REAL300010816633	0	53	-1.0	-49.29	408.00	7.94	-41.35
N#CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816634	0	34	-1.0	-53.68	323.87	4.57	-49.11
COC1=CC=C(C=C(C)S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816635	0	42	-1.0	-50.42	351.75	4.63	-45.79
CC1=CC=CC(CNS(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816636	0	39	-1.0	-49.70	338.95	3.66	-46.04
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=NN1	REAL300010816637	0	37	-1.0	-51.43	336.64	1.61	-49.82
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816637	1	36	-2.0	-94.25	333.17	1.48	-92.77
CCOC(=O)C1=CC(S(=O)(=O)NCCCCC(=O)[O-])=N[N-]1	REAL300010816637	1	36	-2.0	-94.23	333.22	1.47	-92.76
COC1=CSC(S(=O)(=O)NCCCCC(=O)[O-])=C1OC	REAL300010816638	0	36	-1.0	-51.69	327.19	1.61	-50.08
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCCC(=O)[O-])=C1	REAL300010816639	0	33	-2.0	-94.73	330.73	2.67	-92.06
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816639	1	34	-1.0	-51.16	332.98	3.04	-48.12
O=C([O-])CCCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010816640	0	43	-1.0	-48.39	338.85	4.21	-44.18
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816641	0	42	-1.0	-49.56	358.69	5.65	-43.91
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816642	0	35	-1.0	-49.87	329.05	4.92	-44.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816642	1	34	-2.0	-105.32	326.81	4.63	-100.69
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010816643	0	35	-1.0	-51.10	327.12	4.56	-46.54
COC1=CC(F)=C(S(=O)(=O)NCCCCC(=O)[O-])C(F)=C1	REAL300010816644	0	35	-1.0	-50.49	316.41	3.33	-47.16
COC1=CC(F)=C(S(=O)(=O)[N-]CCCCC(=O)[O-])C(F)=C1	REAL300010816644	1	34	-2.0	-106.69	314.16	2.98	-103.71
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010816645	0	35	-1.0	-52.81	323.90	3.41	-49.40
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816646	0	37	-1.0	-51.61	322.83	3.71	-47.90
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010816647	0	34	-1.0	-50.76	307.99	5.31	-45.45
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010816648	0	40	-1.0	-50.58	357.28	4.25	-46.33
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010816649	0	28	-1.0	-46.89	303.48	3.86	-43.03
O=C([O-])CCCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010816649	1	27	-2.0	-92.90	301.24	3.50	-89.40
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816650	0	44	-1.0	-53.39	369.45	6.18	-47.21
CC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010816651	0	48	-1.0	-51.93	396.84	5.66	-46.27
O=C([O-])CCCCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010816652	0	34	-1.0	-52.03	334.68	5.18	-46.85
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010816653	0	36	-1.0	-51.55	331.05	4.44	-47.11
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816654	0	39	-1.0	-51.66	331.97	3.24	-48.42
O=C([O-])CCCCNS(=O)(=O)C1=C(I)C=CS1	REAL300010816655	0	28	-1.0	-48.85	292.76	3.64	-45.21
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010816655	1	27	-2.0	-100.23	294.67	3.43	-96.80
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010816656	0	42	-1.0	-52.98	368.84	6.68	-46.30
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816657	0	37	-1.0	-53.40	315.28	5.77	-47.63
COC(=O)C1=CNN=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816658	0	34	-1.0	-57.28	307.23	1.32	-55.96
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816658	1	33	-2.0	-117.96	308.45	0.97	-116.99
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010816659	0	36	-1.0	-55.33	333.29	2.34	-52.99
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010816660	0	32	-1.0	-51.85	313.57	2.62	-49.23
CC1=CC(Cl)=NC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816661	0	33	-1.0	-50.12	305.53	3.28	-46.84
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816662	0	42	-1.0	-50.60	362.09	5.39	-45.21
CCN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C(C2CC2)=N1	REAL300010816663	0	41	-1.0	-51.74	343.58	4.01	-47.73
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300010816664	0	35	-1.0	-55.82	316.43	3.14	-52.68
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010816665	0	37	-1.0	-49.84	341.05	6.54	-43.30
CC(=O)OC1CCN(S(=O)(=O)NCCCCC(=O)[O-])C1	REAL300010816666	0	39	-1.0	-52.09	338.23	2.94	-49.15
O=C([O-])CCCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010816667	0	41	-1.0	-49.85	369.34	7.70	-42.15
COC(=O)C1=C(S(=O)(=O)NCCCCC(=O)[O-])C=C(Cl)S1	REAL300010816668	0	34	-1.0	-49.88	334.06	4.78	-45.10
CCC1=CC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Br	REAL300010816669	0	37	-1.0	-48.07	337.46	5.63	-42.44
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816670	0	44	-1.0	-49.62	365.18	4.95	-44.67
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816671	0	45	-1.0	-50.81	375.51	4.09	-46.72
O=C([O-])CCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010816672	0	37	-1.0	-51.74	325.77	6.06	-45.68
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816673	0	39	-1.0	-51.08	329.06	1.44	-49.64
O=C([O-])CCCCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010816674	0	37	-1.0	-50.86	343.25	3.59	-47.27
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816675	0	45	-1.0	-54.98	387.82	4.07	-50.91
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010816676	0	46	-1.0	-49.89	380.30	4.14	-45.75
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816677	0	34	-1.0	-48.36	313.50	1.45	-46.91
COC1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C	REAL300010816678	0	37	-1.0	-49.48	325.73	1.18	-48.30
CC(C)CN1C=C(S(=O)(=O)NCCCCC(=O)[O-])C=N1	REAL300010816679	0	40	-1.0	-52.77	345.83	3.86	-48.91
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816680	0	40	-1.0	-51.40	342.04	3.46	-47.94
O=C([O-])CCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010816681	0	30	-1.0	-49.98	305.75	1.74	-48.24
O=C([O-])CCCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010816682	0	41	-1.0	-49.79	340.64	1.53	-48.26
COCC1=CC(CS(=O)(=O)NCCCCC(=O)[O-])=NO1	REAL300010816683	0	37	-1.0	-54.54	332.76	1.64	-52.90
O=C([O-])CCCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010816684	0	34	-1.0	-58.62	327.88	3.57	-55.05
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010816685	0	28	-2.0	-102.20	289.18	1.22	-100.98
O=C([O-])CCCCNS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010816685	1	29	-1.0	-50.38	288.16	1.74	-48.64
CC(=O)NC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816686	0	35	-1.0	-58.02	326.55	1.80	-56.22
CC1=C(C)C(S(=O)(=O)NCCCCC(=O)[O-])=C(C)S1	REAL300010816687	0	37	-1.0	-47.55	320.61	5.17	-42.38
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(I)S1	REAL300010816688	0	28	-1.0	-48.44	298.57	3.96	-44.48
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816689	0	35	-1.0	-48.94	320.23	4.21	-44.73
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010816690	0	33	-1.0	-51.20	313.55	2.88	-48.32
COC1=NC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1Cl	REAL300010816691	0	34	-1.0	-52.13	307.23	0.57	-51.56
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816692	0	40	-1.0	-55.86	360.34	2.81	-53.05
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCCC(=O)[O-])S1	REAL300010816692	1	39	-2.0	-95.22	357.05	1.68	-93.54
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816693	0	38	-1.0	-56.84	331.48	1.92	-54.92
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010816694	0	35	-1.0	-48.99	341.28	5.88	-43.11
O=C([O-])CCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010816695	0	36	-1.0	-51.02	331.53	6.02	-45.00
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010816696	0	29	-2.0	-106.56	297.06	2.24	-104.32
O=C([O-])CCCCNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010816696	1	30	-1.0	-51.56	299.31	2.61	-48.95
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])N=C1	REAL300010816697	0	42	-1.0	-51.24	348.07	4.35	-46.89
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C2=CC=CN=C12	REAL300010816698	0	39	-1.0	-52.23	334.66	5.05	-47.18
COC(=O)C1=NC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C	REAL300010816699	0	39	-1.0	-50.66	345.19	3.13	-47.53
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816700	0	34	-1.0	-53.72	316.68	5.63	-48.09
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010816701	0	38	-1.0	-49.55	327.04	3.91	-45.64
O=C([O-])CCCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010816702	0	38	-1.0	-50.86	333.65	5.03	-45.83
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010816703	0	33	-1.0	-52.04	303.86	2.88	-49.16
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C=NN1C(C)C	REAL300010816704	0	40	-1.0	-53.35	341.68	3.56	-49.79
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010816705	0	38	-1.0	-50.14	338.27	5.96	-44.18
O=C([O-])CCCCNS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010816706	0	33	-1.0	-50.80	305.75	2.79	-48.01
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C2=C1NCCC2	REAL300010816707	0	43	-1.0	-50.06	347.81	4.73	-45.33
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1	REAL300010816708	0	45	-1.0	-50.56	387.21	7.33	-43.23
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010816709	0	38	-1.0	-51.29	339.94	6.00	-45.29
O=C([O-])CCCCNS(=O)(=O)C1=CSC=C1Br	REAL300010816710	0	28	-1.0	-49.72	275.41	2.83	-46.89
O=C([O-])CCCCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010816711	0	35	-1.0	-52.82	321.81	3.91	-48.91
CC1=CC(Br)=NC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816712	0	33	-1.0	-50.12	310.12	3.36	-46.76
O=C([O-])CCCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010816713	0	36	-1.0	-54.62	312.28	4.42	-50.20
CC1=CC=C(I)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816714	0	34	-1.0	-49.75	321.76	5.66	-44.09
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816715	0	40	-1.0	-55.43	345.45	5.57	-49.86
O=C([O-])CCCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010816716	0	42	-1.0	-51.18	362.63	7.88	-43.30
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010816717	0	34	-1.0	-51.49	308.85	4.38	-47.11
O=C([O-])CCCCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010816718	0	30	-1.0	-48.46	294.73	2.56	-45.90
O=C([O-])CCCCNS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010816719	0	33	-1.0	-53.14	301.01	3.30	-49.84
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010816719	1	32	-2.0	-110.88	301.44	2.70	-108.18
O=C([O-])CCCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300010816720	0	34	-1.0	-48.48	309.87	3.48	-45.00
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816721	0	39	-1.0	-57.24	336.68	-0.44	-57.68
CC1=NC(S(=O)(=O)NCCCCC(=O)[O-])=CC=C1Br	REAL300010816722	0	33	-1.0	-51.08	314.00	2.98	-48.10
O=C([O-])CCCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010816723	0	29	-2.0	-99.48	304.22	2.79	-96.69
O=C([O-])CCCCNS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010816723	1	30	-1.0	-49.01	306.46	3.16	-45.85
O=C([O-])CCCCNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010816724	0	35	-1.0	-58.22	324.29	3.08	-55.14
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010816725	0	35	-1.0	-50.47	316.72	5.01	-45.46
O=C([O-])CCCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010816726	0	35	-1.0	-49.98	327.05	5.46	-44.52
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816727	0	40	-1.0	-55.87	358.51	3.33	-52.54
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010816728	0	38	-1.0	-53.37	333.96	6.14	-47.23
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(Cl)=C1Cl	REAL300010816729	0	34	-1.0	-51.51	314.04	4.88	-46.63
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010816730	0	35	-1.0	-48.67	322.65	3.30	-45.37
COC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C(C(F)F)=C1	REAL300010816731	0	38	-1.0	-49.27	330.03	4.40	-44.87
CCOC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C1C(=O)OC	REAL300010816732	0	44	-1.0	-53.08	382.36	5.38	-47.70
COC(=O)C1CC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2C1	REAL300010816733	0	44	-1.0	-52.35	377.70	6.28	-46.07
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816734	0	37	-1.0	-48.16	335.64	1.91	-46.25
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816735	0	37	-1.0	-49.04	344.99	5.84	-43.20
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816735	1	36	-2.0	-103.49	343.92	5.54	-97.95
COC(=O)C1=CC=NC=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816736	0	36	-1.0	-52.65	318.04	3.47	-49.18
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816737	0	37	-1.0	-56.22	326.94	4.99	-51.23
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCCC(=O)[O-]	REAL300010816737	1	36	-2.0	-119.29	328.76	5.01	-114.28
O=C([O-])CCCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010816738	0	36	-1.0	-51.84	315.03	4.20	-47.64
O=C([O-])CCCCNS(=O)(=O)C1=CC=CC=C1I	REAL300010816739	0	31	-1.0	-49.00	299.61	5.04	-43.96
CCOC1=CC=CN=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816740	0	37	-1.0	-55.86	320.76	3.14	-52.72
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C=C2C=C1	REAL300010816741	0	42	-1.0	-54.01	375.04	4.77	-49.24
CC1=CC=C(S(=O)(=O)NCCCCC(=O)[O-])C2=NC=CC=C12	REAL300010816742	0	39	-1.0	-54.48	328.37	5.41	-49.07
O=C([O-])CCCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010816743	0	26	-2.0	-93.30	280.10	1.82	-91.48
O=C([O-])CCCCNS(=O)(=O)C1=C(Br)C=NS1	REAL300010816743	1	27	-1.0	-47.29	282.34	2.17	-45.12
NC1=CC(Br)=CC(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816744	0	33	-1.0	-50.24	314.78	2.27	-47.97
CC1=CC(Cl)=CN=C1S(=O)(=O)NCCCCC(=O)[O-]	REAL300010816745	0	33	-1.0	-50.83	306.21	3.21	-47.62
O=C([O-])CCCCNS(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010816746	0	33	-1.0	-57.97	295.28	3.20	-54.77
CC1=C(S(=O)(=O)NCCCCC(=O)[O-])C=C(Cl)S1	REAL300010816747	0	31	-1.0	-49.12	304.13	4.20	-44.92
O=C([O-])CCCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010816748	0	33	-1.0	-55.16	309.41	2.73	-52.43
O=C([O-])CCCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010816749	0	38	-1.0	-53.55	344.05	4.40	-49.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCCC(=O)[O-])=C1	REAL300010816750	0	44	-1.0	-49.87	354.75	5.56	-44.31
O=C([O-])CCCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010816751	0	35	-2.0	-99.17	326.87	3.73	-95.44
O=C([O-])CCCCNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010816751	1	36	-1.0	-51.34	329.46	2.77	-48.57
O=C([O-])CCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010816752	0	31	-1.0	-48.24	294.71	5.12	-43.12
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010816753	0	25	-1.0	-44.46	256.73	2.80	-41.66
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1Br	REAL300010816754	0	25	-1.0	-46.61	251.87	2.93	-43.68
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816755	0	34	-1.0	-46.16	312.03	3.78	-42.38
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC=C1Br	REAL300010816756	0	25	-1.0	-44.87	273.18	3.55	-41.32
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816757	0	31	-1.0	-54.83	290.94	2.93	-51.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010816758	0	41	-1.0	-51.06	363.78	-0.24	-51.30
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816759	0	42	-1.0	-50.57	372.17	1.91	-48.66
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816760	0	36	-1.0	-50.84	331.01	0.19	-50.65
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816761	0	35	-1.0	-50.67	317.32	1.21	-49.46
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010816762	0	27	-1.0	-45.35	265.31	2.91	-42.44
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010816763	0	25	-1.0	-45.08	258.37	2.85	-42.23
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010816764	0	25	-1.0	-43.27	278.83	4.03	-39.24
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010816764	1	24	-2.0	-106.96	278.09	3.71	-103.25
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010816765	0	29	-1.0	-45.31	285.33	2.16	-43.15
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816766	0	36	-1.0	-51.62	312.27	0.90	-50.72
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010816767	0	31	-1.0	-43.72	313.21	4.20	-39.52
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816768	0	37	-1.0	-50.94	344.93	3.48	-47.46
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816769	0	37	-1.0	-54.21	334.30	4.33	-49.88
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010816770	0	28	-1.0	-43.81	277.06	4.27	-39.54
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010816771	0	28	-1.0	-44.62	274.93	3.37	-41.25
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1NC(C)=O	REAL300010816772	0	36	-1.0	-53.27	319.50	0.51	-52.76
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010816773	0	29	-1.0	-44.98	281.39	1.98	-43.00
O=C([O-])CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010816774	0	34	-1.0	-46.68	298.25	2.13	-44.55
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)S1	REAL300010816775	0	22	-1.0	-45.16	249.02	1.91	-43.25
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1Cl	REAL300010816776	0	31	-1.0	-44.29	291.43	4.54	-39.75
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816777	0	29	-1.0	-45.05	277.23	2.64	-42.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816778	0	43	-1.0	-45.42	337.74	5.99	-39.43
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010816779	0	41	-1.0	-46.04	337.27	6.00	-40.04
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010816780	0	35	-1.0	-47.34	332.65	1.77	-45.57
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010816781	0	32	-1.0	-51.42	310.03	0.35	-51.07
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816782	0	35	-1.0	-61.48	306.74	1.97	-59.51
O=C([O-])CCNS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010816783	0	22	-1.0	-42.14	247.91	1.92	-40.22
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010816783	1	21	-2.0	-105.63	256.02	1.96	-103.67
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010816784	0	35	-1.0	-47.77	309.60	5.60	-42.17
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010816785	0	28	-1.0	-45.07	275.82	3.23	-41.84
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010816786	0	25	-1.0	-43.37	274.26	3.93	-39.44
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010816786	1	24	-2.0	-107.00	273.52	3.61	-103.39
O=C([O-])CC[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010816787	0	24	-2.0	-105.92	265.67	2.52	-103.40
O=C([O-])CCNS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010816787	1	25	-1.0	-44.13	260.67	2.60	-41.53
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010816788	0	28	-1.0	-46.47	272.43	2.94	-43.53
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010816789	0	25	-1.0	-44.09	260.70	2.60	-41.49
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010816789	1	24	-2.0	-105.75	265.67	2.52	-103.23
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1	REAL300010816790	0	28	-1.0	-42.77	290.94	3.68	-39.09
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010816791	0	28	-1.0	-43.03	279.75	3.25	-39.78
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010816792	0	28	-1.0	-43.83	266.73	3.82	-40.01
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010816793	0	36	-1.0	-49.05	340.92	5.58	-43.47
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010816794	0	25	-1.0	-43.55	258.28	3.00	-40.55
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816795	0	31	-1.0	-44.75	284.16	2.68	-42.07
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300010816796	0	28	-1.0	-43.03	295.45	3.81	-39.22
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010816797	0	25	-1.0	-43.02	262.44	2.85	-40.17
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300010816798	0	40	-1.0	-47.22	353.58	4.33	-42.89
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1Br	REAL300010816799	0	25	-1.0	-43.43	273.18	3.55	-39.88
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010816800	0	32	-1.0	-51.11	305.60	1.70	-49.41
CC(C)OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300010816801	0	41	-1.0	-49.24	344.54	5.44	-43.80
CC1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1Cl	REAL300010816802	0	28	-1.0	-47.63	276.16	4.00	-43.63
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010816803	0	28	-1.0	-47.60	291.09	3.87	-43.73
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300010816804	0	35	-1.0	-49.57	304.79	3.89	-45.68
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(N)=O	REAL300010816805	0	33	-1.0	-50.54	297.23	-0.43	-50.97
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300010816806	0	43	-1.0	-50.27	372.53	2.18	-48.09
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010816807	0	32	-1.0	-60.78	290.02	0.81	-59.97
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816808	0	31	-1.0	-48.94	306.93	3.35	-45.59
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010816809	0	24	-1.0	-47.91	249.84	1.09	-46.82
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816810	0	34	-1.0	-58.29	320.45	0.39	-57.90
CC(=O)NC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1F	REAL300010816811	0	32	-1.0	-54.09	297.43	1.20	-52.89
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010816812	0	39	-1.0	-61.31	327.04	3.77	-57.54
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC=C1Br	REAL300010816813	0	25	-1.0	-45.30	258.28	3.00	-42.30
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010816814	0	36	-1.0	-47.55	318.74	1.68	-45.87
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010816815	0	28	-1.0	-46.65	280.47	3.53	-43.12
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010816816	0	25	-1.0	-42.93	271.56	3.27	-39.66
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816817	0	38	-1.0	-54.05	339.12	1.97	-52.08
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816818	0	39	-1.0	-51.00	338.12	1.03	-49.97
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816819	0	33	-1.0	-49.99	295.00	4.65	-45.34
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816820	0	41	-1.0	-46.50	347.35	4.52	-41.98
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010816821	0	39	-1.0	-45.75	330.07	4.41	-41.34
CC(C)COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816822	0	38	-1.0	-45.81	328.35	3.91	-41.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010816823	0	29	-1.0	-46.96	290.70	2.32	-44.64
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1OC(C)C	REAL300010816824	0	38	-1.0	-47.12	324.76	3.78	-43.34
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816825	0	36	-1.0	-49.69	320.41	1.68	-48.01
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816826	0	36	-1.0	-51.54	326.17	1.85	-49.69
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010816827	0	40	-1.0	-47.06	341.53	1.69	-45.37
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010816828	0	28	-1.0	-46.32	273.30	3.60	-42.72
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816829	0	31	-1.0	-53.31	297.79	-0.24	-53.55
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816830	0	31	-1.0	-49.07	296.35	4.19	-44.88
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=C(Br)C=C21	REAL300010816831	0	35	-1.0	-48.30	331.61	3.86	-44.44
COC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816832	0	31	-1.0	-48.81	311.49	3.46	-45.35
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816833	0	29	-1.0	-51.85	279.02	2.93	-48.92
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816834	0	42	-1.0	-53.57	373.43	1.37	-52.20
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1OC	REAL300010816835	0	35	-1.0	-48.58	317.51	2.89	-45.69
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010816836	0	34	-1.0	-46.03	306.23	3.38	-42.65
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300010816837	0	35	-1.0	-54.64	306.13	-2.25	-56.89
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010816838	0	34	-1.0	-52.60	304.09	2.26	-50.34
CC1=C(S(=O)(=O)NCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010816839	0	34	-1.0	-52.59	308.76	3.52	-49.07
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010816840	0	38	-1.0	-52.60	339.65	5.15	-47.45
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816841	0	33	-1.0	-60.88	301.89	1.60	-59.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC(=O)[O-])C(F)=C1Cl	REAL300010816842	0	31	-2.0	-119.53	311.28	1.60	-117.93
O=C([O-])CCNS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010816843	0	32	-1.0	-55.12	300.38	3.47	-51.65
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCCC(=O)[O-])=C1F	REAL300010816844	0	31	-1.0	-53.76	295.87	2.65	-51.11
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Cl)=C1Cl	REAL300010816845	0	29	-1.0	-50.07	281.02	2.05	-48.02
CC1=C(S(=O)(=O)NCCC(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010816846	0	35	-1.0	-49.43	331.35	4.26	-45.17
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(Br)O1	REAL300010816847	0	28	-1.0	-42.34	284.53	1.18	-41.16
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(Br)O1	REAL300010816847	1	27	-2.0	-103.76	292.51	1.19	-102.57
CC1=C(S(=O)(=O)NCCC(=O)[O-])C=C(Br)S1	REAL300010816848	0	25	-1.0	-45.50	265.77	2.74	-42.76
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300010816849	0	33	-1.0	-49.28	286.60	4.92	-44.36
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816850	0	31	-1.0	-47.65	291.80	2.89	-44.76
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816851	0	34	-1.0	-58.01	310.86	0.61	-57.40
N#CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)(F)F)=C1	REAL300010816852	0	29	-1.0	-45.33	281.03	4.15	-41.18
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816853	0	41	-1.0	-48.92	347.64	3.96	-44.96
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010816854	0	36	-1.0	-51.79	323.49	2.16	-49.63
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010816855	0	37	-1.0	-50.63	344.44	0.03	-50.60
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816856	0	33	-1.0	-51.14	312.02	-1.64	-52.78
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010816857	0	35	-1.0	-54.29	331.53	1.11	-53.18
O=C([O-])CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010816858	0	28	-1.0	-46.14	292.65	3.90	-42.24
CCOC(=O)C1=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C(C)N1	REAL300010816859	0	38	-1.0	-45.89	331.42	2.86	-43.03
O=C([O-])CCNS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010816860	0	25	-1.0	-48.20	252.27	3.01	-45.19
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010816860	1	24	-2.0	-118.55	252.81	2.74	-115.81
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])S2)=CS1	REAL300010816861	0	31	-1.0	-48.16	314.87	2.75	-45.41
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010816862	0	45	-1.0	-45.77	369.99	5.81	-39.96
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010816863	0	35	-1.0	-49.86	332.68	1.77	-48.09
O=C([O-])CCNS(=O)(=O)C1=CC=CC(I)=C1	REAL300010816864	0	25	-1.0	-44.24	263.22	3.28	-40.96
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816865	0	34	-1.0	-52.79	304.86	3.74	-49.05
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010816866	0	27	-1.0	-46.73	269.67	4.19	-42.54
COC1=CC(F)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300010816867	0	33	-1.0	-48.98	292.36	1.14	-47.84
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300010816868	0	36	-1.0	-49.45	308.88	2.30	-47.15
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010816869	0	26	-2.0	-115.15	283.90	4.55	-110.60
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010816869	1	27	-1.0	-45.70	281.55	4.91	-40.79
O=C([O-])CCNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010816870	0	28	-1.0	-54.19	274.94	3.09	-51.10
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010816871	0	31	-1.0	-45.91	306.59	3.58	-42.33
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010816872	0	28	-1.0	-47.15	274.92	3.38	-43.77
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)N2	REAL300010816873	0	29	-1.0	-47.41	287.54	-0.25	-47.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010816874	0	31	-1.0	-46.83	290.83	4.97	-41.86
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010816875	0	30	-1.0	-43.55	288.56	4.42	-39.13
CCOC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816876	0	34	-1.0	-45.51	333.36	4.38	-41.13
CC1=C(Br)SC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816877	0	25	-1.0	-45.33	268.61	2.51	-42.82
CC1=C(Br)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010816878	0	30	-1.0	-47.21	300.17	4.00	-43.21
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(F)=C1F	REAL300010816879	0	31	-1.0	-45.90	301.03	2.93	-42.97
O=C([O-])CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010816880	0	43	-1.0	-44.54	322.56	3.86	-40.68
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010816881	0	36	-1.0	-48.96	312.57	0.73	-48.23
CC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1Br	REAL300010816882	0	28	-1.0	-46.87	270.09	3.50	-43.37
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816883	0	31	-1.0	-50.33	294.15	3.32	-47.01
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010816884	0	31	-1.0	-46.83	290.95	2.93	-43.90
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816885	0	31	-1.0	-47.52	289.23	4.09	-43.43
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010816886	0	31	-1.0	-45.26	306.48	3.32	-41.94
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300010816887	0	38	-1.0	-49.20	326.60	4.82	-44.38
CS(=O)(=O)C1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816888	0	31	-1.0	-56.16	312.60	0.45	-55.71
O=C([O-])CCNS(=O)(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1	REAL300010816889	0	39	-1.0	-53.89	353.62	4.27	-49.62
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1	REAL300010816890	0	27	-1.0	-50.36	279.83	3.31	-47.05
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816891	0	39	-1.0	-47.82	342.25	2.65	-45.17
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816892	0	41	-1.0	-46.59	351.28	4.77	-41.82
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010816893	0	27	-1.0	-55.63	265.18	4.08	-51.55
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010816893	1	26	-2.0	-126.42	266.88	4.03	-122.39
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1F	REAL300010816894	0	31	-1.0	-46.56	294.76	2.86	-43.70
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(Cl)C=C1Cl	REAL300010816895	0	31	-1.0	-44.07	304.32	3.28	-40.79
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816896	0	35	-1.0	-48.56	310.60	2.66	-45.90
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816897	0	37	-1.0	-52.74	321.75	4.26	-48.48
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C	REAL300010816898	0	34	-1.0	-48.77	306.25	3.37	-45.40
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816899	0	31	-1.0	-49.70	288.42	2.58	-47.12
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010816900	0	31	-1.0	-47.80	283.80	4.00	-43.80
O=C([O-])CCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010816901	0	24	-1.0	-44.45	251.74	0.99	-43.46
O=C([O-])CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010816902	0	29	-1.0	-45.69	291.79	3.65	-42.04
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010816903	0	39	-1.0	-47.32	346.49	0.12	-47.20
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010816904	0	25	-1.0	-42.96	262.43	2.85	-40.11
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010816905	0	32	-1.0	-57.56	300.04	0.05	-57.51
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816906	0	28	-1.0	-45.21	268.87	3.48	-41.73
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010816907	0	29	-1.0	-45.25	285.35	2.16	-43.09
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010816908	0	33	-1.0	-48.63	314.38	-1.04	-49.67
CCC(=O)NCC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1OC	REAL300010816909	0	42	-1.0	-54.14	366.34	1.35	-52.79
COC1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816910	0	29	-1.0	-47.87	281.36	2.23	-45.64
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816911	0	34	-1.0	-52.49	317.59	0.61	-51.88
O=C([O-])CCNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010816912	0	27	-1.0	-45.37	283.69	2.10	-43.27
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816913	0	30	-1.0	-51.40	278.27	2.65	-48.75
N#CC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816914	0	26	-1.0	-44.44	277.54	3.19	-41.25
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010816915	0	32	-1.0	-44.98	307.19	3.08	-41.90
O=C([O-])CCNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010816916	0	30	-1.0	-45.96	286.09	-2.35	-48.31
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2S1	REAL300010816917	0	39	-1.0	-47.68	348.42	4.14	-43.54
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816918	0	30	-1.0	-47.60	292.37	2.30	-45.30
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816919	0	41	-1.0	-57.45	371.87	0.86	-56.59
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010816920	0	35	-1.0	-51.22	315.66	3.10	-48.12
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816921	0	33	-1.0	-55.51	312.05	-1.65	-57.16
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816922	0	34	-1.0	-51.48	306.98	3.76	-47.72
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300010816923	0	46	-1.0	-57.13	375.77	2.50	-54.63
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816924	0	46	-1.0	-54.44	388.10	2.97	-51.47
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816925	0	37	-1.0	-45.97	333.53	4.57	-41.40
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300010816926	0	43	-1.0	-55.43	372.54	2.17	-53.26
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Br)OCCO2	REAL300010816927	0	31	-1.0	-47.72	296.33	2.09	-45.63
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010816928	0	31	-1.0	-49.31	298.24	3.92	-45.39
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300010816929	0	31	-1.0	-50.73	323.14	3.48	-47.25
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816930	0	28	-1.0	-46.81	271.44	3.71	-43.10
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816931	0	41	-1.0	-49.70	350.54	3.12	-46.58
COC1=CC(Br)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300010816932	0	33	-1.0	-46.86	310.57	2.14	-44.72
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1OCC	REAL300010816933	0	39	-1.0	-48.73	337.86	3.23	-45.50
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816934	0	30	-1.0	-52.04	289.66	-2.86	-54.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010816935	0	36	-1.0	-56.35	313.24	3.31	-53.04
CC(=O)N1CCCC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010816936	0	39	-1.0	-53.57	328.07	3.78	-49.79
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300010816937	0	33	-1.0	-50.50	295.29	4.29	-46.21
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010816938	0	36	-1.0	-52.58	314.67	3.24	-49.34
CC(=O)N1C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2CC1C	REAL300010816939	0	39	-1.0	-56.67	330.39	3.79	-52.88
N#CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(F)(F)F	REAL300010816940	0	29	-1.0	-44.35	292.07	3.37	-40.98
O=C([O-])CCNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010816941	0	31	-1.0	-52.09	291.98	-0.82	-52.91
O=C([O-])CCNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010816942	0	31	-1.0	-47.15	286.15	-0.59	-47.74
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2	REAL300010816943	0	31	-1.0	-47.31	287.75	-0.53	-47.84
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300010816944	0	31	-1.0	-49.44	282.28	2.97	-46.47
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010816945	0	29	-1.0	-48.64	272.48	2.51	-46.13
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816946	0	30	-1.0	-51.56	289.60	-2.85	-54.41
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300010816947	0	37	-1.0	-50.66	344.43	0.04	-50.62
O=C([O-])CCNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010816948	0	31	-1.0	-54.59	290.93	-1.43	-56.02
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816949	0	31	-1.0	-54.50	296.11	-0.29	-54.79
CN1C(=O)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2C1=O	REAL300010816950	0	32	-1.0	-50.18	301.05	1.45	-48.73
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC(=O)[O-]	REAL300010816951	0	33	-1.0	-47.60	303.21	3.75	-43.85
CN1C(=O)OC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010816952	0	31	-1.0	-53.28	289.55	2.14	-51.14
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010816953	0	33	-1.0	-50.38	291.34	4.86	-45.52
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2N=CC(Cl)=C(Cl)C2=O)C=C1	REAL300010816954	0	34	-1.0	-54.15	345.39	3.62	-50.53
CCOC(=O)C1CCCN(S(=O)(=O)NCCC(=O)[O-])C1	REAL300010816955	0	39	-1.0	-46.97	329.98	2.90	-44.07
COC1=C(Br)C=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816956	0	29	-1.0	-44.09	298.68	3.24	-40.85
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010816957	0	29	-1.0	-43.89	281.42	1.98	-41.91
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816958	0	36	-1.0	-50.27	330.16	0.23	-50.04
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010816959	0	27	-1.0	-47.89	269.66	4.18	-43.71
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010816959	1	26	-2.0	-120.41	268.45	3.91	-116.50
O=C([O-])CCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300010816960	0	37	-1.0	-59.89	321.36	1.53	-58.36
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010816961	0	35	-1.0	-49.56	304.77	5.77	-43.79
CCOC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816962	0	34	-1.0	-47.91	312.07	3.77	-44.14
CCOC(=O)N1CCC(S(=O)(=O)NCCC(=O)[O-])CC1	REAL300010816963	0	39	-1.0	-49.62	329.64	2.09	-47.53
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300010816964	0	25	-1.0	-44.45	256.70	2.81	-41.64
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816965	0	32	-1.0	-43.67	292.17	3.36	-40.31
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300010816966	0	28	-1.0	-42.83	287.33	3.60	-39.23
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300010816967	0	28	-1.0	-44.31	275.83	3.24	-41.07
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=CO1	REAL300010816968	0	34	-1.0	-49.70	311.81	1.26	-48.44
COC(=O)C1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C2S1	REAL300010816969	0	34	-1.0	-54.40	321.53	4.90	-49.50
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Br)CCC(=O)N2	REAL300010816970	0	33	-1.0	-49.93	311.68	2.11	-47.82
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816971	0	34	-1.0	-51.19	312.37	3.63	-47.56
CC1=CC=C(N2C=C(S(=O)(=O)NCCC(=O)[O-])C=N2)C=C1	REAL300010816972	0	35	-1.0	-48.13	317.38	3.97	-44.16
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010816973	0	36	-1.0	-64.53	315.92	3.31	-61.22
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(=O)N(C)C	REAL300010816974	0	39	-1.0	-50.23	337.63	1.74	-48.49
CC1CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC(Cl)=C2O1	REAL300010816975	0	33	-1.0	-45.44	309.20	3.30	-42.14
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300010816976	0	39	-1.0	-47.42	350.33	4.79	-42.63
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC(=O)[O-])C=N1	REAL300010816977	0	36	-1.0	-54.34	323.15	2.94	-51.40
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1Br	REAL300010816978	0	31	-1.0	-45.91	304.68	3.07	-42.84
COC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010816978	1	30	-2.0	-107.69	309.70	2.99	-104.70
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816979	0	35	-1.0	-51.92	302.80	2.40	-49.52
CC(=O)NC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C	REAL300010816980	0	35	-1.0	-58.57	310.02	1.99	-56.58
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816981	0	33	-1.0	-43.06	286.33	4.20	-38.86
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010816982	0	34	-1.0	-45.60	328.45	4.51	-41.09
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Br)NC(=O)CO2	REAL300010816983	0	31	-1.0	-46.55	302.54	0.16	-46.39
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC(=O)N2	REAL300010816984	0	33	-1.0	-49.02	296.87	1.42	-47.60
COC(=O)C1=CC=C(CS(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816985	0	34	-1.0	-49.37	313.98	3.57	-45.80
O=C([O-])CCNS(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010816986	0	36	-1.0	-49.60	310.93	2.32	-47.28
COC(=O)C1=CC=CC(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300010816987	0	34	-1.0	-54.43	313.99	3.56	-50.87
O=C([O-])CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010816988	0	36	-1.0	-48.40	319.63	6.31	-42.09
COC(=O)COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816989	0	35	-1.0	-52.90	321.29	3.11	-49.79
COC(=O)CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010816990	0	38	-1.0	-49.12	342.24	3.26	-45.86
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010816991	0	28	-1.0	-48.12	273.13	4.33	-43.79
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300010816991	1	27	-2.0	-118.18	271.63	3.94	-114.24
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010816992	0	27	-1.0	-46.52	274.23	4.28	-42.24
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)C=C1[N+](=O)[O-]	REAL300010816992	1	26	-2.0	-117.16	273.01	4.02	-113.14
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Br	REAL300010816993	0	27	-1.0	-43.31	280.11	3.59	-39.72
O=C([O-])CCNS(=O)(=O)C1=C(Br)C=CS1	REAL300010816994	0	22	-1.0	-45.54	243.57	1.59	-43.95
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C=CS1	REAL300010816994	1	21	-2.0	-111.62	245.48	1.37	-110.25
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)CC2	REAL300010816995	0	33	-1.0	-52.10	293.47	1.12	-50.98
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010816996	0	24	-1.0	-45.09	253.65	0.96	-44.13
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=CN=C1Cl	REAL300010816996	1	23	-2.0	-105.51	262.79	1.11	-104.40
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(Br)=C1	REAL300010816997	0	27	-1.0	-43.66	279.82	3.32	-40.34
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010816998	0	34	-1.0	-49.50	308.66	0.49	-49.01
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300010816999	0	32	-1.0	-46.65	306.33	2.88	-43.77
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010817000	0	27	-1.0	-47.68	274.22	4.28	-43.40
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=CC=C1[N+](=O)[O-]	REAL300010817000	1	26	-2.0	-120.19	273.01	4.02	-116.17
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010817132	0	32	-1.0	-51.92	299.79	2.73	-49.19
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817133	0	40	-1.0	-49.20	328.19	3.20	-46.00
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817134	0	33	-1.0	-46.44	307.66	4.34	-42.10
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817135	0	33	-1.0	-45.64	294.09	4.26	-41.38
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010817136	0	30	-1.0	-46.54	286.54	2.68	-43.86
O=C([O-])CCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010817137	0	25	-1.0	-44.26	263.19	3.29	-40.97
COC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817138	0	29	-1.0	-46.20	286.21	2.11	-44.09
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CN1C	REAL300010817139	0	35	-1.0	-48.62	318.46	3.21	-45.41
O=C([O-])CCNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010817140	0	38	-1.0	-55.62	347.02	3.28	-52.34
O=C([O-])CCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010817141	0	37	-1.0	-48.52	319.81	3.63	-44.89
O=C([O-])CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010817142	0	32	-1.0	-47.38	292.68	3.87	-43.51
CSC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817143	0	29	-1.0	-44.96	290.63	3.66	-41.30
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC(=O)[O-]	REAL300010817144	0	35	-1.0	-54.79	318.47	-1.26	-56.05
CCN1C(=O)OC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817145	0	34	-1.0	-53.16	311.35	3.15	-50.01
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010817146	0	40	-1.0	-51.14	349.18	2.63	-48.51
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817147	0	43	0.0	-76.32	351.87	3.38	-72.94
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817148	0	28	-1.0	-44.86	271.41	3.70	-41.16
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817149	0	31	-1.0	-46.50	312.28	3.63	-42.87
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817149	1	30	-2.0	-110.41	310.07	3.23	-107.18
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010817150	0	25	-1.0	-42.11	273.22	3.31	-38.80
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010817150	1	24	-2.0	-104.44	282.42	3.45	-100.99
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010817151	0	25	-1.0	-47.39	254.99	2.56	-44.83
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300010817152	0	52	-1.0	-48.94	422.92	6.75	-42.19
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817153	0	39	-1.0	-48.27	342.76	3.13	-45.14
O=C([O-])CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010817154	0	28	-1.0	-49.36	279.37	1.25	-48.11
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010817155	0	40	-1.0	-60.75	341.55	3.29	-57.46
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010817156	0	31	-1.0	-46.40	302.61	5.07	-41.33
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CCC(=O)[O-])S1	REAL300010817157	0	27	-2.0	-105.21	301.37	2.16	-103.05
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817157	1	28	-1.0	-43.98	299.29	2.36	-41.62
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817158	0	33	-1.0	-48.51	302.58	0.41	-48.10
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010817160	0	28	-1.0	-43.10	290.89	3.70	-39.40
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817161	0	36	-1.0	-49.81	301.37	0.17	-49.64
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817162	0	30	-1.0	-48.79	294.51	4.21	-44.58
COC1=C(F)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817163	0	31	-1.0	-44.53	298.89	3.02	-41.51
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817164	0	35	-1.0	-49.38	326.12	1.54	-47.84
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010817165	0	36	-1.0	-52.36	334.32	4.01	-48.35
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010817166	0	43	-1.0	-46.44	362.88	4.57	-41.87
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010817167	0	40	-1.0	-46.74	344.19	3.41	-43.33
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(OC)C=C1Br	REAL300010817168	0	33	-1.0	-45.03	305.80	1.98	-43.05
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010817169	0	28	-1.0	-47.40	272.42	2.94	-44.46
CC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817170	0	28	-1.0	-46.45	278.13	3.47	-42.98
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817171	0	32	-1.0	-51.01	309.71	1.83	-49.18
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817172	0	36	-1.0	-58.97	315.40	2.19	-56.78
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010817173	0	37	-1.0	-57.65	314.83	1.32	-56.33
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010817174	0	31	-1.0	-47.24	315.88	0.31	-46.93
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010817175	0	25	-1.0	-46.25	271.65	3.27	-42.98
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010817175	1	24	-2.0	-106.13	280.88	3.41	-102.72
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010817176	0	33	-1.0	-48.09	304.86	3.45	-44.64
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817177	0	35	-1.0	-49.38	326.12	1.54	-47.84
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300010817178	0	35	-1.0	-48.11	310.63	2.67	-45.44
COC(=O)C1=C(S(=O)(=O)NCCC(=O)[O-])C(C)=CS1	REAL300010817179	0	31	-1.0	-49.21	290.23	3.44	-45.77
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817180	0	36	-1.0	-52.08	325.43	2.27	-49.81
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817181	0	39	-1.0	-50.70	352.52	3.41	-47.29
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010817182	0	39	-1.0	-45.09	336.08	5.38	-39.71
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817183	0	33	-1.0	-51.03	307.81	4.34	-46.69
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010817184	0	25	-1.0	-44.24	269.79	3.02	-41.22
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010817184	1	24	-2.0	-106.75	274.80	2.94	-103.81
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C2O1	REAL300010817185	0	40	-1.0	-46.96	359.13	4.86	-42.10
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817186	0	37	-1.0	-52.63	326.72	4.67	-47.96
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010817187	0	25	-1.0	-47.37	259.12	2.79	-44.58
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010817187	1	24	-2.0	-106.05	268.34	2.93	-103.12
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300010817188	0	46	-1.0	-55.75	383.12	2.89	-52.86
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300010817189	0	44	-1.0	-53.85	367.05	0.04	-53.81
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010817190	0	33	-1.0	-49.92	291.59	5.16	-44.76
O=C([O-])CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010817191	0	31	-1.0	-47.45	296.43	3.98	-43.47
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010817192	0	35	-1.0	-44.55	321.07	5.17	-39.38
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817193	0	28	-1.0	-45.23	277.20	3.76	-41.47
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817194	0	33	-1.0	-51.20	294.13	4.27	-46.93
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010817195	0	25	-1.0	-45.56	266.71	3.38	-42.18
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010817196	0	27	-1.0	-43.64	279.92	4.33	-39.31
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010817196	1	26	-2.0	-110.72	278.71	4.06	-106.66
COC1=C(S(=O)(=O)NCCC(=O)[O-])C=C(Br)C(C)=C1[N+](=O)[O-]	REAL300010817197	0	34	-1.0	-44.62	329.38	4.11	-40.51
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010817198	0	35	-1.0	-44.55	321.07	5.17	-39.38
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010817199	0	25	-1.0	-42.91	271.56	3.26	-39.65
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010817200	0	36	-1.0	-47.19	331.95	2.01	-45.18
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010817201	0	24	-2.0	-110.66	254.26	2.21	-108.45
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817202	0	31	-1.0	-46.48	294.74	2.87	-43.61
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC(=O)[O-])C=CC=C12	REAL300010817203	0	39	-1.0	-48.22	329.84	4.39	-43.83
N#CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817204	0	26	-1.0	-43.88	275.92	3.08	-40.80
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010817205	0	27	-1.0	-41.34	277.78	3.28	-38.06
O=C([O-])CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010817205	1	26	-2.0	-102.34	286.97	3.41	-98.93
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817206	0	32	-1.0	-48.26	295.70	2.94	-45.32
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817207	0	31	-1.0	-44.38	309.33	2.82	-41.56
COC1=CC(Cl)=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300010817208	0	33	-1.0	-46.87	295.76	1.44	-45.43
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010817209	0	29	-1.0	-47.02	280.90	1.83	-45.19
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010817210	0	28	-1.0	-46.05	279.75	3.25	-42.80
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010817211	0	36	-1.0	-52.04	327.29	-0.85	-52.89
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C2S1	REAL300010817212	0	37	-1.0	-49.31	350.05	5.23	-44.08
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010817213	0	31	-1.0	-53.93	286.18	1.60	-52.33
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=N1	REAL300010817214	0	30	-1.0	-56.99	292.19	-2.20	-59.19
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817215	0	31	-1.0	-51.47	288.39	2.60	-48.87
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817216	0	33	-1.0	-51.27	300.09	3.51	-47.76
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010817217	0	29	-1.0	-46.03	281.35	2.23	-43.80
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010817218	0	31	-1.0	-45.62	302.40	3.33	-42.29
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817219	0	31	-1.0	-54.20	277.54	3.30	-50.90
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010817220	0	25	-1.0	-44.97	268.61	3.45	-41.52
COC1=CC2=C(C=C1S(=O)(=O)NCCC(=O)[O-])OCC(=O)N2	REAL300010817221	0	35	-1.0	-47.68	306.61	-0.76	-48.44
O=C([O-])CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010817222	0	26	-2.0	-104.97	283.07	3.03	-101.94
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010817222	1	27	-1.0	-44.21	278.08	3.11	-41.10
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010817223	0	27	-1.0	-44.14	274.35	2.99	-41.15
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010817223	1	26	-2.0	-100.89	279.33	2.91	-97.98
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010817224	0	25	-1.0	-43.24	263.92	3.50	-39.74
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010817224	1	24	-2.0	-106.22	263.19	3.18	-103.04
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010817225	0	28	-1.0	-45.35	290.64	3.92	-41.43
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010817226	0	25	-1.0	-51.31	254.29	2.54	-48.77
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1OC	REAL300010817227	0	35	-1.0	-49.56	317.51	2.90	-46.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010817228	0	25	-1.0	-43.48	268.61	3.44	-40.04
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010817229	0	28	-1.0	-48.36	280.47	3.52	-44.84
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817230	0	29	-1.0	-53.41	286.67	-0.52	-53.93
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817231	0	34	-1.0	-51.34	301.29	4.63	-46.71
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817232	0	33	-1.0	-50.23	273.04	-0.05	-50.28
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817233	0	29	-1.0	-53.18	291.24	-0.42	-53.60
N#CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010817234	0	29	-1.0	-48.47	292.09	3.37	-45.10
COC1=CC=C(Br)C(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817235	0	32	-1.0	-49.08	305.36	2.76	-46.32
O=C([O-])CCNS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010817236	0	28	-1.0	-49.04	296.22	3.69	-45.35
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817237	0	26	-1.0	-56.08	260.00	2.43	-53.65
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817238	0	26	-1.0	-51.08	261.58	2.56	-48.52
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817239	0	31	-1.0	-44.78	288.86	4.08	-40.70
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817240	0	42	-1.0	-50.05	372.21	1.91	-48.14
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010817241	0	31	-1.0	-50.37	285.19	3.22	-47.15
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817242	0	35	-1.0	-53.53	316.63	-0.46	-53.99
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010817243	0	31	-1.0	-53.88	312.61	0.44	-53.44
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2CC1	REAL300010817244	0	42	-1.0	-55.90	348.58	4.17	-51.73
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(F)(F)F	REAL300010817245	0	34	-1.0	-45.93	320.37	3.65	-42.28
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1OC	REAL300010817246	0	35	-1.0	-46.66	329.25	3.80	-42.86
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817247	0	34	-1.0	-47.33	301.48	4.45	-42.88
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817248	0	34	-1.0	-47.01	297.30	4.16	-42.85
CNC(=O)C1=CC=C(CS(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817249	0	35	-1.0	-52.01	315.65	1.18	-50.83
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817250	0	39	-1.0	-56.07	344.18	3.12	-52.95
O=C([O-])CCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010817251	0	38	-1.0	-49.20	336.20	3.75	-45.45
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1Cl	REAL300010817252	0	34	-1.0	-45.74	322.80	3.91	-41.83
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Cl	REAL300010817252	1	33	-2.0	-107.81	327.82	3.84	-103.97
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010817253	0	27	-1.0	-50.18	281.48	3.96	-46.22
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010817253	1	26	-2.0	-110.24	280.73	3.64	-106.60
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817254	0	32	-2.0	-113.15	301.41	3.32	-109.83
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1OC	REAL300010817255	0	36	-1.0	-50.26	330.88	1.98	-48.28
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1C	REAL300010817256	0	37	-1.0	-47.22	326.30	4.06	-43.16
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817257	0	39	-1.0	-52.42	346.96	0.38	-52.04
COCC1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817258	0	36	-1.0	-48.48	311.01	1.74	-46.74
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1Br	REAL300010817259	0	34	-1.0	-45.56	326.54	3.99	-41.57
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010817259	1	33	-2.0	-107.83	331.56	3.92	-103.91
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817260	0	38	-1.0	-48.25	332.46	3.58	-44.67
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C	REAL300010817261	0	37	-1.0	-45.95	328.12	4.30	-41.65
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817262	0	37	-1.0	-51.24	334.24	4.55	-46.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817263	0	31	-1.0	-47.29	307.68	4.88	-42.41
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817263	1	30	-2.0	-118.64	310.51	4.41	-114.23
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010817264	0	28	-1.0	-45.22	277.07	4.27	-40.95
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817265	0	34	-1.0	-49.28	310.28	3.51	-45.77
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010817266	0	35	-1.0	-50.16	309.62	5.60	-44.56
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817267	0	39	-1.0	-50.52	354.55	-0.02	-50.54
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300010817268	0	28	-1.0	-47.21	275.96	3.47	-43.74
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CN1C	REAL300010817269	0	37	-1.0	-47.65	337.44	3.38	-44.27
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Cl	REAL300010817270	0	31	-1.0	-52.41	305.94	0.11	-52.30
O=C([O-])CCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010817271	0	29	-1.0	-49.00	283.18	3.06	-45.94
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=C(Br)N1C	REAL300010817272	0	28	-1.0	-52.80	275.81	1.76	-51.04
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(Br)N1C	REAL300010817272	1	27	-2.0	-121.99	273.79	1.25	-120.74
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817273	0	38	-1.0	-52.88	327.56	3.03	-49.85
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010817274	0	28	-2.0	-101.42	272.63	1.79	-99.63
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010817274	1	29	-1.0	-47.56	283.90	0.92	-46.64
O=C([O-])CCNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010817275	0	42	-1.0	-55.39	380.32	2.59	-52.80
N#CC1=CC(F)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817276	0	26	-1.0	-44.61	274.11	2.83	-41.78
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC(=O)[O-])C=C1Br	REAL300010817276	1	25	-2.0	-104.55	279.15	2.75	-101.80
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817277	0	36	-1.0	-51.05	326.08	1.54	-49.51
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010817278	0	40	-1.0	-49.26	348.36	5.01	-44.25
CN(C)C(=O)COC1=C(Cl)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817279	0	39	-1.0	-51.98	379.19	4.23	-47.75
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817280	0	37	-1.0	-53.14	339.08	1.40	-51.74
COCCOC1=C(Cl)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817281	0	36	-1.0	-45.88	356.38	2.92	-42.96
CCOC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(Br)=C1C	REAL300010817282	0	37	-1.0	-44.93	345.94	4.82	-40.11
O=C([O-])CCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010817283	0	24	-1.0	-43.30	266.71	1.37	-41.93
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817284	0	32	-1.0	-46.79	307.22	2.42	-44.37
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817285	0	34	-1.0	-48.48	323.73	4.62	-43.86
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010817286	0	31	-1.0	-44.38	289.85	3.70	-40.68
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010817287	0	36	-1.0	-45.85	340.81	5.55	-40.30
COC(=O)CC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817288	0	34	-1.0	-51.38	312.37	3.62	-47.76
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010817289	0	31	-1.0	-48.91	296.87	4.13	-44.78
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010817290	0	25	-1.0	-45.33	267.98	2.38	-42.95
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1I	REAL300010817291	0	28	-1.0	-46.95	280.77	3.83	-43.12
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817292	0	38	-1.0	-52.92	345.26	2.55	-50.37
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817293	0	41	-1.0	-52.76	367.13	3.48	-49.28
COC(=O)C1(CS(=O)(=O)NCCC(=O)[O-])CCCCC1	REAL300010817294	0	40	-1.0	-49.28	321.60	3.67	-45.61
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C1C	REAL300010817295	0	33	-1.0	-45.85	301.67	1.54	-44.31
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010817296	0	29	-1.0	-51.60	279.47	1.74	-49.86
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817297	0	34	-1.0	-45.66	328.80	4.28	-41.38
O=C([O-])CCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010817298	0	41	-1.0	-54.90	368.52	4.06	-50.84
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010817299	0	27	-1.0	-48.22	272.79	1.46	-46.76
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010817300	0	26	-1.0	-52.92	263.20	1.44	-51.48
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010817301	0	28	-1.0	-48.14	274.88	1.14	-47.00
CN1C=C(S(=O)(=O)[N-]CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010817301	1	27	-2.0	-113.11	271.81	0.64	-112.47
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010817302	0	27	-1.0	-43.75	275.51	4.23	-39.52
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010817302	1	26	-2.0	-110.65	274.29	3.96	-106.69
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1C	REAL300010817303	0	34	-1.0	-47.52	304.44	3.13	-44.39
CC1=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C2N=C1Cl	REAL300010817304	0	33	-1.0	-45.96	311.90	3.57	-42.39
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C(C(C)C)=C1	REAL300010817305	0	52	-1.0	-45.12	393.70	8.05	-37.07
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010817306	0	30	-1.0	-49.21	282.21	3.74	-45.47
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817307	0	37	-1.0	-49.18	335.85	4.50	-44.68
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817308	0	32	-1.0	-45.70	303.65	2.49	-43.21
COC1=CC=C2C=C(S(=O)(=O)NCCC(=O)[O-])CCC2=C1	REAL300010817309	0	37	-1.0	-47.28	319.35	3.89	-43.39
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010817310	0	28	-1.0	-47.77	286.72	4.24	-43.53
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010817310	1	27	-2.0	-116.46	284.47	3.86	-112.60
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817311	0	39	-1.0	-58.44	350.17	0.34	-58.10
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817311	1	38	-2.0	-104.30	346.93	0.42	-103.88
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010817312	0	28	-1.0	-48.07	286.19	3.57	-44.50
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817313	0	34	-1.0	-58.57	319.86	0.41	-58.16
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817314	0	34	-1.0	-48.29	318.73	4.16	-44.13
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010817315	0	40	-1.0	-52.54	357.03	2.74	-49.80
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817316	0	38	-1.0	-50.03	331.39	2.54	-47.49
CCC1=CC(CC)=C(S(=O)(=O)NCCC(=O)[O-])C(CC)=C1	REAL300010817317	0	43	-1.0	-45.46	335.39	6.91	-38.55
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C12	REAL300010817318	0	44	-1.0	-47.83	376.92	2.96	-44.87
O=C([O-])CCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010817319	0	27	-1.0	-49.80	283.58	2.10	-47.70
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817320	0	33	-1.0	-45.43	301.44	1.89	-43.54
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010817321	0	33	-1.0	-50.04	306.58	0.74	-49.30
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817322	0	30	-1.0	-51.56	289.60	-2.85	-54.41
CC(C)(CCS(=O)(=O)NCCC(=O)[O-])S(C)(=O)=O	REAL300010817323	0	36	-1.0	-55.16	308.66	-0.70	-55.86
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010817324	0	28	-1.0	-47.56	265.36	-0.56	-48.12
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817325	0	38	-1.0	-51.61	331.17	3.61	-48.00
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010817326	0	34	-1.0	-48.63	306.48	5.18	-43.45
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010817327	0	29	-1.0	-42.34	272.09	2.35	-39.99
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010817328	0	29	-1.0	-42.38	282.41	2.80	-39.58
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817329	0	34	-1.0	-49.14	317.83	3.68	-45.46
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCC(=O)[O-]	REAL300010817330	0	38	-1.0	-48.84	326.78	4.12	-44.72
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010817331	0	28	-1.0	-47.35	293.97	3.96	-43.39
O=C([O-])CCNS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010817332	0	28	-1.0	-46.69	292.61	3.97	-42.72
O=C([O-])CCNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010817333	0	28	-1.0	-43.36	275.02	1.29	-42.07
CCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817334	0	33	-1.0	-53.02	297.84	4.00	-49.02
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817335	0	41	-1.0	-47.13	332.05	4.32	-42.81
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010817336	0	32	-1.0	-50.04	310.85	4.57	-45.47
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300010817337	0	34	-1.0	-51.03	310.25	3.53	-47.50
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817338	0	34	-1.0	-48.20	328.92	3.83	-44.37
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=N1	REAL300010817339	0	34	-1.0	-48.75	321.66	3.66	-45.09
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1F	REAL300010817340	0	31	-1.0	-53.91	303.31	3.05	-50.86
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817340	1	30	-2.0	-115.47	308.30	2.97	-112.50
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817341	0	34	-1.0	-49.58	308.71	3.21	-46.37
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817342	0	31	-1.0	-46.59	291.61	4.07	-42.52
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010817343	0	40	-1.0	-50.43	350.04	-0.01	-50.44
O=C([O-])CCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010817344	0	32	-1.0	-53.59	300.53	0.05	-53.54
CC1=C(S(=O)(=O)NCCC(=O)[O-])SC(Br)=C1	REAL300010817345	0	25	-1.0	-45.19	265.31	2.74	-42.45
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010817346	0	34	-1.0	-49.68	297.18	2.53	-47.15
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817347	0	35	-1.0	-53.61	299.17	0.80	-52.81
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817348	0	29	-1.0	-42.65	282.95	2.68	-39.97
COC1=CC2=C(C=C1S(=O)(=O)NCCC(=O)[O-])C(=O)NCCC2	REAL300010817349	0	40	-1.0	-51.55	332.05	1.10	-50.45
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCC(=O)[O-])S2)C1	REAL300010817350	0	36	-1.0	-52.02	326.68	2.70	-49.32
CC1=C(S(=O)(=O)NCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010817351	0	32	-1.0	-48.31	305.66	4.47	-43.84
O=C([O-])CCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010817352	0	28	-1.0	-46.85	282.27	3.53	-43.32
NC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1Br	REAL300010817353	0	29	-1.0	-48.72	284.40	-0.66	-49.38
NC(=O)C1=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C(F)C=C1Br	REAL300010817353	1	28	-2.0	-106.85	289.42	-0.74	-107.59
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010817354	0	25	-1.0	-43.44	273.44	3.32	-40.12
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817355	0	50	-1.0	-46.50	415.77	7.12	-39.38
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817356	0	40	-1.0	-50.24	345.28	4.53	-45.71
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010817357	0	25	-1.0	-42.41	283.80	3.89	-38.52
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010817357	1	24	-2.0	-103.53	281.56	3.50	-100.03
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817358	0	35	-1.0	-43.85	313.66	4.16	-39.69
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010817359	0	25	-1.0	-43.02	262.44	2.85	-40.17
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817360	0	31	-1.0	-46.48	294.74	2.87	-43.61
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010817361	0	39	-1.0	-50.05	343.61	5.25	-44.80
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010817362	0	39	-1.0	-46.79	352.90	5.54	-41.25
O=C([O-])CCNS(=O)(=O)C1=NC=CC=C1Br	REAL300010817363	0	24	-1.0	-50.16	244.42	1.23	-48.93
O=C([O-])CC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010817363	1	23	-2.0	-119.41	245.70	0.58	-118.83
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C2)=N1	REAL300010817364	0	37	-1.0	-51.74	328.12	2.19	-49.55
COC(CS(=O)(=O)NCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010817365	0	35	-1.0	-46.94	317.24	3.31	-43.63
O=C([O-])CCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010817366	0	37	-1.0	-49.66	319.48	3.62	-46.04
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300010817367	0	33	-1.0	-48.17	317.32	1.09	-47.08
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCC(=O)[O-])C=CC=C12	REAL300010817368	0	37	-1.0	-49.92	326.50	5.05	-44.87
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010817369	0	36	-1.0	-51.44	321.13	1.38	-50.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1F	REAL300010817370	0	31	-1.0	-53.88	292.98	2.61	-51.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817370	1	30	-2.0	-114.94	297.98	2.53	-112.41
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(=O)[O-])=C(Cl)C=C21	REAL300010817371	0	36	-1.0	-59.89	317.67	3.36	-56.53
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817372	0	38	-1.0	-46.85	325.46	3.85	-43.00
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300010817373	0	44	-1.0	-46.88	366.88	5.24	-41.64
O=C([O-])CCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010817374	0	28	-1.0	-56.97	284.88	1.99	-54.98
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010817375	0	33	-1.0	-46.68	298.55	4.65	-42.03
O=C([O-])CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010817376	0	38	-1.0	-45.98	336.39	4.51	-41.47
CCC1=NC(S(=O)(=O)NCCC(=O)[O-])=CN1CC1CC1	REAL300010817377	0	38	-1.0	-54.63	327.45	4.11	-50.52
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817378	0	31	-1.0	-48.96	300.92	4.29	-44.67
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2C1	REAL300010817379	0	36	-1.0	-51.22	318.87	2.65	-48.57
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817380	0	28	-1.0	-45.16	277.04	0.80	-44.36
O=C([O-])CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010817381	0	36	-1.0	-49.94	336.05	6.29	-43.65
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817382	0	28	-1.0	-45.37	277.21	3.74	-41.63
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010817383	0	35	-1.0	-51.05	301.52	5.59	-45.46
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010817384	0	45	-1.0	-47.89	390.76	7.09	-40.80
CC1=CC=C(Br)C(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817385	0	31	-1.0	-48.70	297.31	4.12	-44.58
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817386	0	32	-1.0	-49.98	304.14	2.83	-47.15
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010817387	0	24	-1.0	-50.87	250.24	0.52	-50.35
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010817387	1	23	-2.0	-108.63	255.14	0.47	-108.16
O=C([O-])CCNS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010817388	0	31	-1.0	-52.94	296.05	0.61	-52.33
O=C([O-])CCNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010817389	0	32	-1.0	-47.27	310.96	1.49	-45.78
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(C)C=C1OC	REAL300010817390	0	38	-1.0	-47.77	321.29	3.87	-43.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010817391	0	31	-1.0	-44.25	306.64	4.06	-40.19
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817392	0	33	-1.0	-49.07	305.90	3.19	-45.88
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817393	0	28	-1.0	-45.18	286.24	4.17	-41.01
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC(Br)=C1	REAL300010817394	0	25	-1.0	-43.32	278.01	3.43	-39.89
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010817395	0	32	-1.0	-45.95	305.04	2.07	-43.88
CC1=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C2NC1=O	REAL300010817396	0	34	-1.0	-49.26	306.49	1.92	-47.34
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010817397	0	34	-1.0	-52.63	315.66	3.80	-48.83
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010817398	0	30	-1.0	-47.67	280.59	3.24	-44.43
O=C([O-])CCNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010817399	0	31	-1.0	-48.09	290.58	3.36	-44.73
CN1N=CC(S(=O)(=O)NCCC(=O)[O-])=C1Br	REAL300010817400	0	25	-1.0	-43.93	248.73	-0.09	-44.02
O=C([O-])CCNS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010817401	0	34	-1.0	-46.83	329.29	4.36	-42.47
CN1N=CC(S(=O)(=O)NCCC(=O)[O-])=C1I	REAL300010817402	0	25	-1.0	-42.20	251.99	0.24	-41.96
COC(=O)C1=CC(S(=O)(=O)NCCC(=O)[O-])=C(OC)C=C1F	REAL300010817403	0	35	-1.0	-45.62	315.15	2.69	-42.93
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817404	0	35	-1.0	-52.25	309.02	2.97	-49.28
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300010817405	0	41	-1.0	-47.19	345.38	4.44	-42.75
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300010817406	0	37	-1.0	-47.66	313.65	4.45	-43.21
O=C([O-])CCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010817407	0	44	-1.0	-47.40	361.03	6.71	-40.69
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817408	0	30	-1.0	-51.07	298.48	2.36	-48.71
COC1=NC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817409	0	28	-1.0	-44.61	275.11	-0.01	-44.62
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010817410	0	30	-1.0	-47.13	290.92	3.04	-44.09
O=C([O-])CCNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010817411	0	27	-1.0	-45.84	275.18	2.05	-43.79
O=C([O-])CCNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010817412	0	35	-1.0	-50.47	319.94	2.90	-47.57
O=C([O-])CCNS(=O)(=O)CC1=C(Br)SC=N1	REAL300010817413	0	24	-1.0	-49.06	263.67	0.54	-48.52
O=C([O-])CCNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010817414	0	27	-1.0	-46.06	288.92	2.30	-43.76
CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC(=O)[O-])C1	REAL300010817415	0	36	-1.0	-54.81	321.03	-1.23	-56.04
O=C([O-])CCNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010817416	0	26	-1.0	-44.61	280.57	1.29	-43.32
COC(=O)C1=CC=C(CS(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817417	0	34	-1.0	-49.37	313.98	3.57	-45.80
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010817418	0	27	-2.0	-114.72	280.76	2.95	-111.77
O=C([O-])CCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010817418	1	28	-1.0	-48.70	282.00	3.23	-45.47
CN1N=CC(S(=O)(=O)NCCC(=O)[O-])=C1C(F)(F)F	REAL300010817419	0	28	-1.0	-45.87	269.05	0.91	-44.96
CN1N=CC(S(=O)(=O)[N-]CCC(=O)[O-])=C1C(F)(F)F	REAL300010817419	1	27	-2.0	-108.40	266.32	0.44	-107.96
O=C([O-])CCNS(=O)(=O)C1=CSC=C1Br	REAL300010817420	0	22	-1.0	-46.21	232.41	1.25	-44.96
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817421	0	28	-1.0	-46.84	261.66	0.77	-46.07
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817422	0	43	-1.0	-51.66	378.77	3.94	-47.72
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=N1	REAL300010817423	0	25	-1.0	-50.53	250.67	-0.04	-50.57
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Br)CCCC(=O)N2	REAL300010817424	0	36	-1.0	-50.75	327.53	3.04	-47.71
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010817425	0	39	-1.0	-48.82	341.33	3.39	-45.43
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817426	0	28	-1.0	-44.96	286.33	4.17	-40.79
CCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300010817427	0	47	-1.0	-45.69	388.38	6.02	-39.67
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010817428	0	36	-1.0	-49.53	312.69	2.36	-47.17
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)(C)C	REAL300010817429	0	47	-1.0	-47.11	379.44	5.91	-41.20
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1CC	REAL300010817430	0	41	-1.0	-45.89	349.97	4.70	-41.19
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817431	0	36	-1.0	-46.85	340.82	2.35	-44.50
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817432	0	39	-1.0	-53.13	328.38	1.85	-51.28
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010817433	0	28	-1.0	-49.85	290.71	3.91	-45.94
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010817434	0	28	-1.0	-50.71	281.59	3.51	-47.20
O=C([O-])CCNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010817435	0	35	-1.0	-52.93	317.53	4.11	-48.82
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300010817436	0	31	-1.0	-46.32	296.27	4.09	-42.23
COC1=CC=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C1F	REAL300010817437	0	29	-1.0	-52.72	284.37	2.41	-50.31
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC(=O)[O-])=C1F	REAL300010817437	1	28	-2.0	-120.59	282.13	2.04	-118.55
CCOC(=O)C1=C(S(=O)(=O)NCCC(=O)[O-])N(C)N=C1	REAL300010817438	0	34	-1.0	-51.18	304.11	2.07	-49.11
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(=O)OC	REAL300010817439	0	37	-1.0	-49.59	341.10	3.84	-45.75
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817440	0	38	-1.0	-50.41	336.62	2.96	-47.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817441	0	41	-1.0	-46.67	350.97	4.98	-41.69
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817442	0	45	-1.0	-53.93	360.87	4.60	-49.33
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010817443	0	39	-1.0	-47.32	330.98	2.27	-45.05
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010817444	0	40	-1.0	-65.07	346.10	4.84	-60.23
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010817445	0	39	-1.0	-64.56	336.24	4.12	-60.44
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300010817446	0	40	-1.0	-46.60	364.27	6.05	-40.55
COC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300010817447	0	37	-1.0	-48.57	326.16	5.06	-43.51
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817448	0	38	-1.0	-47.33	325.51	3.38	-43.95
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817449	0	35	-1.0	-50.09	308.89	3.00	-47.09
CC1(C)COC2=C(S(=O)(=O)NCCC(=O)[O-])C=NN2C1	REAL300010817450	0	36	-1.0	-48.31	306.33	0.23	-48.08
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010817451	0	31	-1.0	-47.65	302.27	3.09	-44.56
O=C([O-])CCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010817452	0	31	-1.0	-49.19	286.14	-0.59	-49.78
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300010817453	0	50	-1.0	-46.71	409.88	6.80	-39.91
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010817454	0	41	-1.0	-47.95	338.91	4.31	-43.64
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817455	0	35	-1.0	-48.60	309.92	3.59	-45.01
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300010817456	0	48	-1.0	-49.77	400.86	4.66	-45.11
CC1=C(Br)C(S(=O)(=O)NCCC(=O)[O-])=C(C)S1	REAL300010817457	0	28	-1.0	-46.75	280.09	3.56	-43.19
CC1=CC(Cl)=C(S(=O)(=O)NCCC(=O)[O-])C(Br)=C1	REAL300010817458	0	28	-1.0	-46.55	281.12	4.17	-42.38
CCOC(=O)C1=CC(Br)=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010817459	0	37	-1.0	-44.87	344.27	5.06	-39.81
COC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1Br	REAL300010817460	0	31	-1.0	-49.26	301.63	3.43	-45.83
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010817461	0	42	-1.0	-57.13	344.08	4.23	-52.90
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010817462	0	31	-1.0	-48.79	289.09	2.82	-45.97
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300010817463	0	39	-1.0	-49.98	332.57	3.67	-46.31
CN1N=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817464	0	25	-1.0	-45.01	257.38	0.31	-44.70
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010817465	0	29	-1.0	-51.09	283.40	2.43	-48.66
O=C([O-])CCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010817466	0	28	-1.0	-57.45	280.32	1.89	-55.56
O=C([O-])CCNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010817467	0	34	-1.0	-59.08	303.76	-0.59	-59.67
N#CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010817468	0	26	-1.0	-47.72	275.94	3.09	-44.63
O=C([O-])CCNS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010817469	0	41	-1.0	-50.64	379.78	3.16	-47.48
O=C([O-])CCNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010817469	1	40	-2.0	-86.40	376.80	1.57	-84.83
COC1=CC=C(F)C(S(=O)(=O)NCCC(=O)[O-])=C1OC	REAL300010817470	0	33	-1.0	-51.58	294.85	2.50	-49.08
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817471	0	27	-2.0	-103.77	291.81	1.18	-102.59
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817471	1	28	-1.0	-47.40	294.05	1.56	-45.84
O=C([O-])CCNS(=O)(=O)C1=CC=C(I)S1	REAL300010817472	0	22	-1.0	-45.08	255.57	2.38	-42.70
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCCC2)=N1	REAL300010817473	0	38	-1.0	-48.01	304.79	2.32	-45.69
N#CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C2S1	REAL300010817474	0	29	-1.0	-51.86	286.27	4.11	-47.75
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010817475	0	29	-1.0	-54.09	283.33	2.44	-51.65
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010817476	0	25	-2.0	-100.79	266.64	1.83	-98.96
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300010817477	0	31	-1.0	-47.17	289.64	4.27	-42.90
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010817478	0	31	-1.0	-44.45	303.63	3.32	-41.13
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817479	0	43	-1.0	-47.61	349.57	6.19	-41.42
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010817480	0	31	-1.0	-44.33	306.64	4.06	-40.27
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010817481	0	36	-1.0	-45.45	320.07	4.85	-40.60
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817482	0	38	-1.0	-52.50	325.22	0.59	-51.91
COC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010817483	0	34	-1.0	-60.01	300.85	3.40	-56.61
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010817484	0	29	-1.0	-44.81	291.87	3.53	-41.28
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2C=C1	REAL300010817485	0	37	-1.0	-49.79	336.10	5.09	-44.70
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010817486	0	34	-1.0	-47.46	324.44	4.78	-42.68
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010817487	0	30	-1.0	-43.88	286.34	2.00	-41.88
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010817488	0	28	-1.0	-43.49	280.56	3.26	-40.23
O=C([O-])CCNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010817489	0	25	-1.0	-45.11	256.33	2.71	-42.40
O=C([O-])CCNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010817490	0	25	-1.0	-42.95	267.17	2.28	-40.67
CC(=O)NCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817491	0	35	-1.0	-50.67	317.32	1.21	-49.46
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010817492	0	28	-1.0	-45.38	287.32	3.61	-41.77
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817493	0	35	-1.0	-49.24	315.66	3.87	-45.37
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010817494	0	31	-1.0	-45.74	297.83	3.23	-42.51
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817495	0	30	-1.0	-43.20	286.44	2.70	-40.50
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817496	0	35	-1.0	-45.80	331.62	2.96	-42.84
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010817497	0	25	-1.0	-44.54	258.38	2.86	-41.68
O=C([O-])CCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010817498	0	25	-1.0	-45.51	254.69	2.58	-42.93
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010817499	0	28	-1.0	-45.54	266.73	3.82	-41.72
COC(=O)C1=C(C)SC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817500	0	31	-1.0	-45.59	301.59	2.54	-43.05
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010817501	0	27	-1.0	-44.46	289.80	2.41	-42.05
CNC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817502	0	34	-1.0	-51.52	306.62	-0.30	-51.82
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817503	0	28	-1.0	-53.80	289.35	-1.31	-55.11
CNC(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817504	0	34	-1.0	-51.52	306.62	-0.30	-51.82
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817505	0	37	-1.0	-52.96	324.85	5.94	-47.02
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010817506	0	39	-1.0	-48.77	333.74	1.31	-47.46
O=C([O-])CCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010817507	0	32	-1.0	-46.25	324.76	2.11	-44.14
O=C([O-])CCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010817508	0	40	-1.0	-45.62	330.93	4.84	-40.78
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C12	REAL300010817509	0	36	-1.0	-56.55	306.87	4.53	-52.02
O=C([O-])CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010817510	0	33	-1.0	-47.12	289.04	2.17	-44.95
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817511	0	34	-1.0	-50.20	315.02	4.42	-45.78
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010817512	0	28	-1.0	-47.52	294.70	4.19	-43.33
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817513	0	35	-1.0	-48.00	315.10	3.37	-44.63
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010817514	0	38	-1.0	-48.80	321.81	3.14	-45.66
O=C([O-])CCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010817515	0	28	-1.0	-47.54	290.19	4.37	-43.17
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010817515	1	27	-2.0	-115.34	287.94	3.99	-111.35
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010817516	0	36	-1.0	-46.62	324.11	5.03	-41.59
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817517	0	37	-1.0	-51.91	324.31	4.92	-46.99
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1Br	REAL300010817518	0	31	-1.0	-44.86	293.11	3.93	-40.93
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010817519	0	30	-1.0	-47.43	296.85	3.66	-43.77
O=C([O-])CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010817519	1	29	-2.0	-115.10	295.93	3.33	-111.77
O=C([O-])CCNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010817520	0	31	-1.0	-45.61	308.81	3.35	-42.26
O=C([O-])CC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010817520	1	30	-2.0	-110.51	310.43	3.12	-107.39
N#CC1(OCCS(=O)(=O)NCCC(=O)[O-])CCOCC1	REAL300010817521	0	37	-1.0	-48.52	319.51	-0.09	-48.61
O=C([O-])CCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010817522	0	29	-1.0	-46.85	285.58	3.88	-42.97
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCC(=O)[O-])=C2	REAL300010817523	0	31	-1.0	-46.79	320.51	3.41	-43.38
O=C([O-])CC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010817524	0	24	-2.0	-112.30	262.98	2.71	-109.59
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817525	0	27	-1.0	-51.22	269.29	1.12	-50.10
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817525	1	26	-2.0	-107.09	274.18	1.07	-106.02
O=C([O-])CCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010817526	0	30	-1.0	-52.62	291.88	3.37	-49.25
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010817527	0	30	-1.0	-50.82	288.57	3.18	-47.64
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817528	0	27	-1.0	-51.22	269.29	1.12	-50.10
O=C([O-])CC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010817528	1	26	-2.0	-107.09	274.18	1.07	-106.02
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010817529	0	28	-1.0	-47.52	294.70	4.19	-43.33
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817530	0	29	-1.0	-52.65	287.27	3.19	-49.46
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817530	1	28	-2.0	-122.18	285.03	2.81	-119.37
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817531	0	39	-1.0	-48.07	340.00	3.70	-44.37
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCC(=O)[O-])O1	REAL300010817532	0	31	-1.0	-57.20	299.07	-1.52	-58.72
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010817533	0	35	-1.0	-47.14	299.22	3.01	-44.13
O=C([O-])CCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010817534	0	31	-1.0	-49.75	304.10	-0.22	-49.97
O=C([O-])CCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010817535	0	29	-1.0	-45.93	288.62	3.98	-41.95
O=C([O-])CCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010817536	0	29	-1.0	-46.54	288.61	3.99	-42.55
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010817537	0	34	-1.0	-47.45	309.87	1.10	-46.35
CC1=NC(S(=O)(=O)[N-]CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010817537	1	33	-2.0	-125.48	309.22	0.77	-124.71
O=C([O-])CCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010817538	0	42	-1.0	-46.30	312.42	5.08	-41.22
CCOC(=O)C1=NC(S(=O)(=O)NCCC(=O)[O-])=C2C=CC=CN12	REAL300010817539	0	37	-1.0	-58.88	335.83	4.03	-54.85
O=C([O-])CCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010817540	0	29	-1.0	-54.46	283.40	1.22	-53.24
COC(=O)C1=CN2C=NC(S(=O)(=O)NCCC(=O)[O-])=C2C=C1	REAL300010817541	0	34	-1.0	-55.38	316.83	4.08	-51.30
O=C([O-])CCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010817542	0	35	-1.0	-48.13	318.71	5.09	-43.04
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300010817543	0	47	-1.0	-47.37	365.00	6.36	-41.01
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCC(=O)[O-])=C1	REAL300010817544	0	27	-2.0	-103.20	287.74	1.07	-102.13
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817544	1	28	-1.0	-47.52	289.98	1.46	-46.06
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817545	0	29	-1.0	-47.40	286.05	3.35	-44.05
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817545	1	28	-2.0	-116.52	283.81	3.04	-113.48
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010817546	0	29	-1.0	-48.05	284.14	2.95	-45.10
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010817547	0	29	-1.0	-50.29	280.91	1.83	-48.46
O=C([O-])CCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010817548	0	28	-1.0	-46.88	264.99	3.72	-43.16
O=C([O-])CCNS(=O)(=O)C1=C(Br)C=CC=C1OC(F)(F)F	REAL300010817549	0	29	-1.0	-46.70	291.40	3.61	-43.09
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010817550	0	34	-1.0	-46.48	314.29	2.67	-43.81
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010817551	0	22	-1.0	-42.44	260.48	2.29	-40.15
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010817551	1	21	-2.0	-102.22	258.26	1.90	-100.32
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817552	0	38	-1.0	-50.43	326.45	4.60	-45.83
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010817553	0	42	-1.0	-48.08	353.85	4.09	-43.99
O=C([O-])CCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010817554	0	28	-1.0	-49.15	291.68	3.60	-45.55
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010817555	0	30	-1.0	-47.72	286.86	2.82	-44.90
O=C([O-])CCNS(=O)(=O)C1=C(I)C=CS1	REAL300010817556	0	22	-1.0	-44.84	249.77	2.05	-42.79
O=C([O-])CC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010817556	1	21	-2.0	-110.28	251.68	1.83	-108.45
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010817557	0	36	-1.0	-51.01	325.84	5.10	-45.91
O=C([O-])CCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010817558	0	30	-1.0	-52.21	290.30	0.77	-51.44
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010817559	0	22	-1.0	-42.59	271.17	2.86	-39.73
O=C([O-])CC[N-]S(=O)(=O)C1=CC(Cl)=C(I)S1	REAL300010817559	1	21	-2.0	-103.24	268.94	2.47	-100.77
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010817560	0	26	-1.0	-49.41	270.58	1.05	-48.36
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NSN=C2C=C1	REAL300010817561	0	29	-1.0	-54.50	273.43	1.57	-52.93
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010817562	0	31	-1.0	-46.60	298.05	4.96	-41.64
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300010817563	0	34	-1.0	-44.05	327.91	4.57	-39.48
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010817564	0	35	-1.0	-46.65	326.34	6.12	-40.53
COC(=O)C1=C(S(=O)(=O)NCCC(=O)[O-])C=C(Cl)S1	REAL300010817565	0	28	-1.0	-46.94	291.07	3.21	-43.73
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010817566	0	31	-1.0	-44.68	294.46	4.05	-40.63
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817567	0	38	-1.0	-45.89	322.18	3.37	-42.52
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817568	0	39	-1.0	-47.72	332.51	2.52	-45.20
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010817569	0	31	-1.0	-49.44	282.77	4.49	-44.95
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010817570	0	31	-1.0	-47.54	300.25	2.02	-45.52
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCC(=O)[O-]	REAL300010817571	0	39	-1.0	-53.32	344.85	2.50	-50.82
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010817572	0	40	-1.0	-47.92	337.29	2.57	-45.35
O=C([O-])CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010817573	0	24	-1.0	-44.48	262.75	0.16	-44.32
O=C([O-])CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010817574	0	35	-1.0	-45.93	297.65	-0.05	-45.98
O=C([O-])CCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010817575	0	28	-1.0	-56.97	284.88	1.99	-54.98
O=C([O-])CC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010817576	0	22	-2.0	-111.78	246.19	-0.38	-112.16
O=C([O-])CCNS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010817576	1	23	-1.0	-47.07	245.16	0.16	-46.91
O=C([O-])CCNS(=O)(=O)C1=CC=C(I)S1	REAL300010817577	0	22	-1.0	-45.08	255.57	2.38	-42.70
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817578	0	29	-1.0	-45.05	277.23	2.64	-42.41
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817579	0	34	-1.0	-51.99	317.34	1.23	-50.76
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300010817579	1	33	-2.0	-95.94	314.05	0.11	-95.83
O=C([O-])CCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010817580	0	29	-1.0	-44.87	298.28	4.31	-40.56
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010817581	0	30	-1.0	-47.40	288.57	4.42	-42.98
O=C([O-])CC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010817582	0	23	-2.0	-117.12	254.07	0.64	-116.48
O=C([O-])CCNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010817582	1	24	-1.0	-48.51	256.31	1.04	-47.47
COC(=O)C1=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300010817583	0	33	-1.0	-45.80	302.20	1.55	-44.25
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010817584	0	32	-1.0	-46.55	295.28	4.38	-42.17
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300010817585	0	39	-1.0	-47.14	344.22	5.75	-41.39
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010817586	0	32	-1.0	-47.88	296.94	4.42	-43.46
O=C([O-])CCNS(=O)(=O)C1=CSC=C1Br	REAL300010817587	0	22	-1.0	-46.21	232.41	1.25	-44.96
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010817588	0	29	-1.0	-51.03	278.81	2.32	-48.71
CC1=CC(Br)=NC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817589	0	27	-1.0	-46.33	267.13	1.78	-44.55
CC1=CC=C(I)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817590	0	28	-1.0	-46.52	277.93	4.19	-42.33
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817591	0	34	-1.0	-51.87	302.45	4.00	-47.87
O=C([O-])CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010817592	0	36	-1.0	-48.40	319.63	6.31	-42.09
O=C([O-])CCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010817593	0	24	-1.0	-44.45	251.74	0.99	-43.46
O=C([O-])CCNS(=O)(=O)C1=CC=C(I)C=C1Cl	REAL300010817594	0	25	-1.0	-44.90	264.88	3.33	-41.57
O=C([O-])CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300010817595	0	28	-1.0	-44.06	266.87	1.90	-42.16
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC(=O)[O-]	REAL300010817596	0	33	-1.0	-53.12	293.68	-2.02	-55.14
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300010817597	0	27	-1.0	-48.97	271.00	1.40	-47.57
O=C([O-])CC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010817598	0	23	-2.0	-109.61	261.23	1.20	-108.41
O=C([O-])CCNS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010817598	1	24	-1.0	-46.32	263.47	1.58	-44.74
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817599	0	34	-1.0	-52.90	315.51	1.76	-51.14
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010817600	0	32	-1.0	-49.95	290.13	4.54	-45.41
COC1=CC=C(I)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817601	0	29	-1.0	-47.33	286.23	2.75	-44.58
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(Cl)=C1Cl	REAL300010817602	0	28	-1.0	-49.01	271.04	3.29	-45.72
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010817603	0	29	-1.0	-46.15	279.65	1.73	-44.42
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300010817604	0	48	-1.0	-46.98	406.90	7.40	-39.58
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)F)=C1	REAL300010817605	0	32	-1.0	-46.37	287.04	2.82	-43.55
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(=O)OC	REAL300010817606	0	38	-1.0	-48.38	339.37	3.81	-44.57
COC(=O)C1CC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2C1	REAL300010817607	0	38	-1.0	-48.85	334.71	4.71	-44.14
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817608	0	31	-1.0	-44.05	292.65	0.33	-43.72
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817609	0	31	-1.0	-45.84	301.99	4.26	-41.58
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817609	1	30	-2.0	-114.84	300.92	3.95	-110.89
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300010817610	0	31	-1.0	-56.02	283.94	3.41	-52.61
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCC(=O)[O-]	REAL300010817610	1	30	-2.0	-132.23	285.76	3.41	-128.82
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1I	REAL300010817611	0	25	-1.0	-46.09	256.61	3.47	-42.62
COC1=CC=C(I)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817612	0	29	-1.0	-47.33	286.23	2.75	-44.58
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2C=C1	REAL300010817613	0	36	-1.0	-50.27	332.05	3.19	-47.08
O=C([O-])CC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010817614	0	20	-2.0	-102.36	237.10	0.22	-102.14
O=C([O-])CCNS(=O)(=O)C1=C(Br)C=NS1	REAL300010817614	1	21	-1.0	-43.13	239.34	0.60	-42.53
NC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817615	0	27	-1.0	-47.34	271.79	0.69	-46.65
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010817616	0	32	-1.0	-51.47	301.05	2.81	-48.66
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300010817617	0	38	-1.0	-47.79	313.21	4.12	-43.67
O=C([O-])CCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010817618	0	29	-2.0	-105.12	283.87	2.15	-102.97
O=C([O-])CCNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010817618	1	30	-1.0	-46.31	286.46	1.19	-45.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CN=C1Cl	REAL300010817619	0	37	-1.0	-58.67	324.16	1.38	-57.29
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300010817620	0	38	-1.0	-56.46	341.42	4.28	-52.18
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300010817621	0	38	-1.0	-62.00	332.68	3.44	-58.56
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300010817622	0	50	-1.0	-52.64	374.96	4.96	-47.68
COC(=O)CC1(CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])CC1	REAL300010817623	0	47	-1.0	-51.29	391.08	3.46	-47.83
COC(=O)C1=CC=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817624	0	44	-1.0	-64.76	361.75	4.27	-60.49
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817625	0	47	-1.0	-47.62	403.04	4.49	-43.13
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010817626	0	38	-1.0	-51.28	344.62	3.54	-47.74
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010817627	0	44	-1.0	-55.86	378.32	3.50	-52.36
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300010817628	0	50	-1.0	-49.33	402.90	5.21	-44.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300010817629	0	47	-1.0	-49.27	386.93	4.82	-44.45
CCC(C)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817630	0	50	-1.0	-49.59	404.26	5.41	-44.18
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)S1	REAL300010817631	0	38	-1.0	-58.73	334.44	3.51	-55.22
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010817632	0	42	-1.0	-48.70	361.64	-0.38	-49.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)C=C1	REAL300010817633	0	48	-1.0	-52.95	407.77	1.83	-51.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010817634	0	40	-1.0	-55.32	358.63	3.94	-51.38
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010817635	0	38	-1.0	-72.41	345.51	4.13	-68.28
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300010817636	0	35	-1.0	-55.22	329.94	3.32	-51.90
CCCC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817637	0	47	-1.0	-49.06	390.78	5.12	-43.94
COC1=CC=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817638	0	42	-1.0	-54.77	345.00	3.09	-51.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010817639	0	38	-1.0	-52.14	338.87	2.72	-49.42
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010817640	0	38	-1.0	-44.62	359.04	3.87	-40.75
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1Cl	REAL300010817641	0	38	-1.0	-62.12	330.21	3.36	-58.76
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010817642	0	38	-1.0	-77.32	336.37	3.30	-74.02
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010817643	0	37	-1.0	-44.87	338.26	1.54	-43.33
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C#N)=C1	REAL300010817644	0	39	-1.0	-57.98	341.27	4.04	-53.94
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1	REAL300010817645	0	39	-1.0	-46.42	347.19	3.30	-43.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010817646	0	38	-1.0	-45.68	338.55	3.59	-42.09
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010817647	0	42	-1.0	-46.56	372.40	2.70	-43.86
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300010817648	0	53	-1.0	-53.80	392.00	5.72	-48.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010817649	0	47	-1.0	-48.30	389.22	2.86	-45.44
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300010817650	0	43	-1.0	-53.51	367.90	4.01	-49.50
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)S1	REAL300010817651	0	35	-1.0	-55.20	334.58	3.43	-51.77
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300010817652	0	56	-1.0	-69.83	423.76	6.94	-62.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010817653	0	54	-1.0	-70.74	429.66	6.84	-63.90
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010817654	0	41	-1.0	-67.79	366.83	4.03	-63.76
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010817655	0	48	-1.0	-53.10	385.54	5.25	-47.85
CCC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817656	0	44	-1.0	-49.23	369.59	4.33	-44.90
COC1=CC=C(OC)C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817657	0	46	-1.0	-51.56	377.20	1.84	-49.72
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1OC	REAL300010817658	0	46	-1.0	-70.95	386.47	2.17	-68.78
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010817659	0	45	-1.0	-71.73	373.21	4.93	-66.80
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)ON=C1C	REAL300010817660	0	40	-1.0	-49.44	332.19	1.64	-47.80
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)S1	REAL300010817661	0	45	-1.0	-61.31	395.27	1.87	-59.44
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010817662	0	46	-1.0	-50.34	381.17	5.30	-45.04
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010817663	0	38	-1.0	-49.45	332.36	2.68	-46.77
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(NC(C)=O)=CC=C1C	REAL300010817664	0	48	-1.0	-56.36	385.94	2.12	-54.24
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010817665	0	35	-1.0	-43.28	340.47	2.77	-40.51
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300010817666	0	53	-1.0	-48.93	429.85	6.41	-42.52
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010817667	0	44	-1.0	-51.30	353.95	4.80	-46.50
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010817668	0	48	-1.0	-51.23	400.07	6.22	-45.01
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300010817669	0	41	-1.0	-44.19	336.41	3.30	-40.89
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817670	0	53	-1.0	-49.26	417.13	5.68	-43.58
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300010817671	0	41	-1.0	-71.67	362.92	4.09	-67.58
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010817672	0	38	-1.0	-43.35	344.88	2.99	-40.36
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1F	REAL300010817673	0	41	-1.0	-50.57	343.48	3.74	-46.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C	REAL300010817674	0	41	-1.0	-54.34	331.36	3.45	-50.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C)=N1	REAL300010817675	0	41	-1.0	-54.18	349.12	1.72	-52.46
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010817676	0	38	-1.0	-46.69	336.73	2.68	-44.01
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300010817677	0	39	-1.0	-47.97	334.76	2.16	-45.81
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C)=C1	REAL300010817678	0	41	-1.0	-55.45	347.18	4.36	-51.09
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010817679	0	43	-1.0	-57.43	356.50	3.75	-53.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010817680	0	38	-1.0	-54.00	343.67	3.34	-50.66
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817681	0	44	-1.0	-48.93	372.74	3.74	-45.19
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1F	REAL300010817682	0	41	-1.0	-53.92	345.48	3.23	-50.69
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1F	REAL300010817683	0	42	-1.0	-68.52	363.45	2.34	-66.18
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300010817684	0	41	-1.0	-72.29	354.18	3.68	-68.61
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010817685	0	38	-1.0	-50.67	334.57	2.97	-47.70
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C=N1	REAL300010817686	0	38	-1.0	-60.12	327.67	1.82	-58.30
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CN=C1	REAL300010817687	0	37	-1.0	-50.95	320.89	1.02	-49.93
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCCC#N	REAL300010817688	0	38	-1.0	-83.72	333.12	2.13	-81.59
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300010817689	0	49	-1.0	-51.71	376.59	3.08	-48.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCCCC1C	REAL300010817690	0	46	-1.0	-51.08	344.50	2.43	-48.65
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C(C)C	REAL300010817691	0	42	-1.0	-52.33	332.51	1.32	-51.01
CCCN(CCC)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817692	0	48	-1.0	-70.77	386.80	3.55	-67.22
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)CCC#N	REAL300010817693	0	40	-1.0	-73.77	342.57	1.44	-72.33
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C#N)=C1	REAL300010817694	0	42	-1.0	-64.33	367.16	4.96	-59.37
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1	REAL300010817695	0	44	-1.0	-54.95	368.71	4.32	-50.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(C)=C1Cl	REAL300010817696	0	41	-1.0	-52.97	360.04	4.61	-48.36
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010817697	0	41	-1.0	-60.41	378.23	5.55	-54.86
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300010817698	0	48	-1.0	-51.85	390.23	4.53	-47.32
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1	REAL300010817699	0	45	-1.0	-58.76	370.91	1.09	-57.67
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1C(N)=O	REAL300010817700	0	46	-1.0	-72.62	390.06	0.73	-71.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300010817701	0	43	-1.0	-49.55	359.50	4.10	-45.45
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1F	REAL300010817702	0	45	-1.0	-55.87	378.41	1.96	-53.91
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300010817703	0	43	-1.0	-53.19	352.63	3.71	-49.48
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N(C)C=N1	REAL300010817704	0	38	-1.0	-56.96	342.13	2.50	-54.46
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300010817705	0	41	-1.0	-46.61	354.22	3.64	-42.97
COCCOCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817706	0	45	-1.0	-73.81	379.96	0.11	-73.70
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=N1	REAL300010817707	0	37	-1.0	-52.26	343.33	1.55	-50.71
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(NC(C)=O)=C1	REAL300010817708	0	45	-1.0	-66.73	381.78	2.69	-64.04
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300010817709	0	43	-1.0	-56.47	374.27	-1.12	-57.59
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C(C)=C1C	REAL300010817710	0	48	-1.0	-46.96	373.87	3.05	-43.91
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1	REAL300010817711	0	49	-1.0	-70.61	411.12	2.55	-68.06
CC(=O)NCCC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817712	0	51	-1.0	-56.38	430.08	2.70	-53.68
CCCCN(C)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817713	0	45	-1.0	-69.71	364.72	2.49	-67.22
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817714	0	46	-1.0	-61.68	371.44	5.53	-56.15
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300010817715	0	50	-1.0	-49.09	407.90	5.58	-43.51
COCCC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817716	0	48	-1.0	-49.43	403.24	3.41	-46.02
COCCN(CCOC)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817717	0	50	-1.0	-69.58	404.65	0.48	-69.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300010817718	0	41	-1.0	-44.22	347.24	3.79	-40.43
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010817719	0	52	-1.0	-70.53	423.33	5.51	-65.02
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300010817720	0	51	-1.0	-48.60	418.83	4.53	-44.07
CCCOC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817721	0	48	-1.0	-48.61	398.75	3.83	-44.78
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1Cl	REAL300010817722	0	42	-1.0	-68.48	373.28	2.82	-65.66
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1C	REAL300010817723	0	45	-1.0	-70.91	377.30	3.01	-67.90
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300010817724	0	51	-1.0	-70.47	416.63	4.59	-65.88
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C(C)=C1	REAL300010817725	0	45	-1.0	-53.87	361.80	2.78	-51.09
COCCOC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817726	0	49	-1.0	-51.42	410.87	2.30	-49.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300010817727	0	41	-1.0	-57.44	351.98	3.52	-53.92
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817728	0	49	-1.0	-64.62	411.21	3.34	-61.28
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010817729	0	43	-1.0	-54.50	364.61	3.21	-51.29
COC1=CC(F)=CC(F)=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817730	0	42	-1.0	-71.05	364.84	3.48	-67.57
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1C	REAL300010817731	0	42	-1.0	-52.45	353.10	3.86	-48.59
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1F	REAL300010817732	0	39	-1.0	-45.00	342.88	3.44	-41.56
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC=C1	REAL300010817733	0	37	-1.0	-66.05	321.58	1.85	-64.20
COC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1C	REAL300010817734	0	47	-1.0	-57.18	391.88	4.88	-52.30
COC(=O)CCN(C)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817735	0	45	-1.0	-73.07	377.18	1.72	-71.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300010817736	0	47	-1.0	-46.25	374.23	1.00	-45.25
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CC2CCC1C2	REAL300010817737	0	44	-1.0	-60.31	349.19	2.48	-57.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010817738	0	47	-1.0	-61.32	395.35	2.97	-58.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300010817739	0	47	-1.0	-59.53	387.37	4.24	-55.29
CCN1N=C(C)C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1C	REAL300010817740	0	47	-1.0	-53.61	383.27	2.69	-50.92
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300010817741	0	44	-1.0	-68.12	370.02	1.89	-66.23
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300010817742	0	47	-1.0	-59.06	388.18	3.99	-55.07
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300010817743	0	44	-1.0	-56.80	370.11	3.32	-53.48
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300010817744	0	44	-1.0	-55.42	370.36	1.34	-54.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300010817745	0	50	-1.0	-54.62	370.43	5.41	-49.21
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300010817746	0	46	-1.0	-63.32	389.72	2.24	-61.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1	REAL300010817747	0	44	-1.0	-54.95	368.71	4.32	-50.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010817748	0	45	-1.0	-53.80	391.64	4.18	-49.62
COC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CN1	REAL300010817749	0	42	-1.0	-49.30	370.11	1.25	-48.05
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Cl)=C1	REAL300010817750	0	39	-1.0	-54.22	357.37	4.50	-49.72
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300010817751	0	46	-1.0	-51.46	357.48	4.83	-46.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C#N)=C1	REAL300010817752	0	39	-1.0	-66.06	363.69	3.78	-62.28
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1	REAL300010817753	0	49	-1.0	-64.83	408.45	3.64	-61.19
COC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])O1	REAL300010817754	0	41	-1.0	-46.95	365.40	1.63	-45.32
COC(=O)C1=C(C)OC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817755	0	44	-1.0	-51.79	381.18	2.25	-49.54
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300010817756	0	40	-1.0	-58.01	343.51	2.18	-55.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010817757	0	40	-1.0	-79.38	353.48	4.95	-74.43
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010817758	0	41	-1.0	-54.05	379.84	4.50	-49.55
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCCC1	REAL300010817759	0	47	-1.0	-46.87	368.02	3.96	-42.91
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817760	0	47	-1.0	-47.59	385.21	3.92	-43.67
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010817761	0	40	-1.0	-57.77	352.60	4.82	-52.95
COC1=CC(F)=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1OC	REAL300010817762	0	46	-1.0	-52.91	384.66	1.81	-51.10
COC1=CC(C)=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1OC	REAL300010817763	0	49	-1.0	-49.72	390.72	2.31	-47.41
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010817764	0	41	-1.0	-62.64	359.61	3.70	-58.94
COC(=O)CCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817765	0	43	-1.0	-65.67	362.85	3.12	-62.55
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C#N	REAL300010817766	0	39	-1.0	-56.04	339.71	2.96	-53.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C#N	REAL300010817767	0	39	-1.0	-56.02	350.30	3.41	-52.61
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCOC(C)C	REAL300010817768	0	44	-1.0	-57.98	362.50	2.32	-55.66
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300010817769	0	41	-1.0	-49.09	335.45	3.29	-45.80
COC(=O)CN1C=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=N1	REAL300010817770	0	44	-1.0	-75.45	387.46	1.81	-73.64
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010817771	0	44	-1.0	-48.36	376.29	5.61	-42.75
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC#N)C=C1	REAL300010817772	0	42	-1.0	-53.21	368.64	4.08	-49.13
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010817773	0	56	-1.0	-57.27	406.46	5.27	-52.00
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300010817774	0	46	-1.0	-57.11	374.96	4.23	-52.88
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010817775	0	49	-1.0	-48.85	403.84	1.44	-47.41
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817776	0	44	-1.0	-49.31	381.23	3.92	-45.39
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010817777	0	46	-1.0	-71.40	385.84	0.80	-70.60
COC1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010817778	0	44	-1.0	-67.25	384.05	4.09	-63.16
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300010817779	0	44	-1.0	-43.61	369.56	4.29	-39.32
COCCN1C=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=N1	REAL300010817780	0	45	-1.0	-68.91	387.85	0.66	-68.25
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCC(C)(C)C	REAL300010817781	0	46	-1.0	-46.34	366.42	3.09	-43.25
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817782	0	48	-1.0	-49.88	385.76	3.95	-45.93
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010817783	0	43	-1.0	-61.79	371.39	2.92	-58.87
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010817784	0	45	-1.0	-66.12	385.80	3.93	-62.19
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C#N	REAL300010817785	0	39	-1.0	-56.04	337.50	2.83	-53.21
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010817786	0	40	-1.0	-76.29	357.81	5.33	-70.96
COC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CC=C1F	REAL300010817787	0	44	-1.0	-67.92	386.79	3.65	-64.27
COC(=O)C1=CSC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817788	0	41	-1.0	-58.56	369.98	3.43	-55.13
COC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CC=C1C	REAL300010817789	0	47	-1.0	-72.15	399.49	4.53	-67.62
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817790	0	44	-1.0	-53.30	378.43	3.21	-50.09
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010817791	0	48	-1.0	-50.22	379.67	5.48	-44.74
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010817792	0	44	-1.0	-56.73	371.83	4.63	-52.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010817793	0	37	-1.0	-65.81	344.87	2.13	-63.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCOCC1	REAL300010817794	0	45	-1.0	-55.00	357.32	1.54	-53.46
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300010817795	0	49	-1.0	-66.86	402.73	4.03	-62.83
COC(=O)C(C)CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817796	0	43	-1.0	-70.64	362.04	2.53	-68.11
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)=O)=CC=C1Cl	REAL300010817797	0	43	-1.0	-51.45	367.22	3.41	-48.04
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CCCC1	REAL300010817798	0	46	-1.0	-51.38	357.54	2.43	-48.95
CCCN(C)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817799	0	42	-1.0	-69.70	343.44	1.89	-67.81
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(C)=NO1	REAL300010817800	0	40	-1.0	-50.09	345.95	1.72	-48.37
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010817801	0	43	-1.0	-54.65	370.89	-0.89	-55.54
COC(=O)CC1(CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])CC1	REAL300010817802	0	47	-1.0	-51.29	391.08	3.46	-47.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(F)=C1	REAL300010817803	0	37	-1.0	-66.34	329.15	1.25	-65.09
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010817804	0	43	-1.0	-50.47	361.85	2.12	-48.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010817805	0	46	-1.0	-83.92	390.84	4.44	-79.48
CCOCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817806	0	41	-1.0	-71.52	346.60	1.02	-70.50
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCCCC#N	REAL300010817807	0	41	-1.0	-78.92	354.64	2.90	-76.02
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010817808	0	44	-1.0	-50.50	365.15	-0.85	-51.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C	REAL300010817809	0	48	-1.0	-50.31	406.13	3.72	-46.59
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010817810	0	43	-1.0	-54.14	374.96	3.07	-51.07
CCOC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C(C)=C1	REAL300010817811	0	48	-1.0	-53.52	383.34	3.72	-49.80
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCS(C)(=O)=O	REAL300010817812	0	40	-1.0	-79.87	354.72	-1.45	-81.32
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817813	0	47	-1.0	-54.51	393.23	4.33	-50.18
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010817814	0	42	-1.0	-54.64	354.57	3.34	-51.30
CSC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817815	0	42	-1.0	-48.68	366.08	3.84	-44.84
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010817816	0	44	-1.0	-62.65	385.37	5.60	-57.05
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817817	0	49	-1.0	-54.47	391.89	4.51	-49.96
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010817818	0	37	-1.0	-55.65	342.42	1.84	-53.81
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010817819	0	44	-1.0	-50.89	358.39	2.21	-48.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010817820	0	43	-1.0	-50.18	349.96	2.85	-47.33
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010817821	0	46	-1.0	-54.49	382.92	1.95	-52.54
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O	REAL300010817822	0	44	-1.0	-76.72	368.62	1.77	-74.95
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300010817823	0	44	-1.0	-49.50	360.12	1.80	-47.70
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300010817824	0	43	-1.0	-54.20	380.91	-2.15	-56.35
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010817825	0	49	-1.0	-54.10	403.30	3.96	-50.14
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300010817826	0	46	-1.0	-55.54	376.75	4.67	-50.87
COC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817827	0	44	-1.0	-47.89	381.48	3.55	-44.34
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CCN2C(C)=O	REAL300010817828	0	49	-1.0	-76.17	405.83	3.92	-72.25
CNC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817829	0	45	-1.0	-50.15	382.84	1.18	-48.97
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(N)=O)C=C1	REAL300010817830	0	42	-1.0	-54.69	360.38	-0.41	-55.10
CCN(CC)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817831	0	42	-1.0	-70.97	343.78	2.04	-68.93
COC(=O)C1=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=CS1	REAL300010817832	0	41	-1.0	-85.42	370.16	3.66	-81.76
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1	REAL300010817833	0	41	-1.0	-56.53	346.90	3.56	-52.97
COC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])S1	REAL300010817834	0	41	-1.0	-56.61	369.87	3.51	-53.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCCCCC1	REAL300010817835	0	46	-1.0	-72.54	360.28	3.39	-69.15
CCOC(=O)C1=CNN=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817836	0	44	-1.0	-58.53	376.27	1.29	-57.24
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1	REAL300010817837	0	44	-1.0	-51.91	383.62	-0.03	-51.94
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCC(=O)NC2=C1	REAL300010817838	0	44	-1.0	-70.68	379.26	0.58	-70.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300010817839	0	46	-1.0	-57.82	377.84	4.42	-53.40
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300010817840	0	44	-1.0	-60.92	364.39	3.60	-57.32
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817841	0	42	-1.0	-51.29	361.24	3.60	-47.69
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300010817842	0	42	-1.0	-48.43	361.50	3.58	-44.85
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010817843	0	43	-1.0	-62.67	375.67	-1.35	-64.02
COC(=O)C1=CC=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817844	0	44	-1.0	-60.78	376.20	4.35	-56.43
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1	REAL300010817845	0	43	-1.0	-74.30	376.92	4.20	-70.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCOCC1	REAL300010817846	0	41	-1.0	-46.48	334.33	-0.37	-46.85
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1	REAL300010817847	0	41	-1.0	-75.66	357.38	3.97	-71.69
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1Cl	REAL300010817848	0	41	-1.0	-61.66	351.56	3.96	-57.70
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1	REAL300010817849	0	44	-1.0	-57.26	378.59	-0.86	-58.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300010817850	0	44	-1.0	-57.99	386.56	0.34	-57.65
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1	REAL300010817851	0	45	-1.0	-64.36	390.90	2.06	-62.30
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCCCC1	REAL300010817852	0	43	-1.0	-70.38	347.13	2.53	-67.85
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCCC1	REAL300010817853	0	40	-1.0	-48.34	330.11	1.23	-47.11
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1C	REAL300010817854	0	41	-1.0	-50.75	337.67	3.51	-47.24
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300010817855	0	47	-1.0	-51.39	374.40	3.86	-47.53
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010817856	0	46	-1.0	-50.22	369.10	3.75	-46.47
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C	REAL300010817857	0	44	-1.0	-48.05	380.52	2.86	-45.19
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1	REAL300010817858	0	43	-1.0	-59.35	368.26	5.15	-54.20
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300010817859	0	46	-1.0	-53.70	378.58	5.75	-47.95
CCOC(=O)C1CCCN(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C1	REAL300010817860	0	52	-1.0	-53.35	420.91	3.62	-49.73
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300010817861	0	42	-1.0	-55.35	366.15	3.46	-51.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1Cl	REAL300010817862	0	38	-1.0	-55.81	335.40	3.32	-52.49
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300010817863	0	40	-1.0	-67.43	350.86	5.41	-62.02
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300010817864	0	48	-1.0	-63.09	386.02	7.30	-55.79
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300010817865	0	49	-1.0	-52.38	379.72	3.35	-49.03
CCOC(=O)C1=CC=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817866	0	47	-1.0	-60.35	397.82	5.30	-55.05
CCOC(=O)N1CCC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])CC1	REAL300010817867	0	52	-1.0	-82.16	420.10	3.31	-78.85
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010817868	0	38	-1.0	-46.52	342.63	3.32	-43.20
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300010817869	0	38	-1.0	-46.44	347.20	3.43	-43.01
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300010817870	0	40	-1.0	-45.67	353.81	3.49	-42.18
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300010817871	0	44	-1.0	-60.46	365.96	5.94	-54.52
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1	REAL300010817872	0	38	-1.0	-68.05	325.25	2.80	-65.25
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010817873	0	45	-1.0	-60.03	382.32	1.82	-58.21
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300010817874	0	43	-1.0	-43.14	358.52	3.90	-39.24
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CS1	REAL300010817875	0	35	-1.0	-52.33	315.69	1.85	-50.48
COC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817876	0	42	-1.0	-48.94	356.18	2.20	-46.74
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010817877	0	40	-1.0	-65.39	335.23	4.30	-61.09
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1	REAL300010817878	0	41	-1.0	-72.10	349.22	3.71	-68.39
CCOC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817879	0	45	-1.0	-49.93	376.93	3.04	-46.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1F	REAL300010817880	0	38	-1.0	-45.72	328.83	3.12	-42.60
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1	REAL300010817881	0	38	-1.0	-46.47	332.31	2.87	-43.60
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1	REAL300010817882	0	38	-1.0	-57.04	326.83	3.72	-53.32
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(F)=C1	REAL300010817883	0	38	-1.0	-44.62	339.22	3.02	-41.60
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300010817884	0	44	-1.0	-50.70	370.39	1.99	-48.71
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300010817885	0	47	-1.0	-51.92	366.99	4.90	-47.02
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300010817886	0	53	-1.0	-47.45	406.23	5.58	-41.87
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1	REAL300010817887	0	38	-1.0	-64.99	360.16	4.32	-60.67
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(F)=C1	REAL300010817888	0	38	-1.0	-65.05	341.25	3.45	-61.60
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Cl	REAL300010817889	0	38	-1.0	-44.80	342.81	3.53	-41.27
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300010817890	0	41	-1.0	-51.48	362.19	3.76	-47.72
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1	REAL300010817891	0	42	-1.0	-53.81	357.84	4.13	-49.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010817892	0	41	-1.0	-56.39	344.65	3.99	-52.40
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1F	REAL300010817893	0	38	-1.0	-50.21	320.39	2.96	-47.25
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300010817894	0	38	-1.0	-56.64	336.85	4.18	-52.46
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300010817895	0	43	-1.0	-48.77	366.37	3.20	-45.57
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1C	REAL300010817896	0	44	-1.0	-47.78	351.93	3.95	-43.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300010817897	0	44	-1.0	-72.38	366.66	4.55	-67.83
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1	REAL300010817898	0	38	-1.0	-64.97	350.83	3.91	-61.06
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300010817899	0	43	-1.0	-76.02	369.80	3.74	-72.28
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1C	REAL300010817900	0	44	-1.0	-54.31	352.79	4.11	-50.20
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300010817901	0	47	-1.0	-56.39	402.29	1.87	-54.52
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Cl)=C1	REAL300010817902	0	37	-1.0	-43.91	352.70	1.93	-41.98
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300010817903	0	41	-1.0	-54.69	353.56	3.26	-51.43
COC1=CC=C(Cl)C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817904	0	42	-1.0	-49.62	354.99	2.15	-47.47
COC(=O)CC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817905	0	47	-1.0	-53.67	402.85	4.25	-49.42
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300010817906	0	45	-1.0	-49.16	369.42	4.77	-44.39
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1CCOC1	REAL300010817907	0	39	-1.0	-74.55	320.98	0.38	-74.17
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC=N1	REAL300010817908	0	35	-1.0	-58.96	307.18	0.25	-58.71
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300010817909	0	48	-1.0	-54.37	406.22	4.61	-49.76
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)C2=C1	REAL300010817910	0	49	-1.0	-60.97	405.04	3.86	-57.11
CCCC(C)CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817911	0	46	-1.0	-59.08	363.13	4.41	-54.67
CCC(C)CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817912	0	43	-1.0	-46.25	344.57	2.73	-43.52
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1C#N	REAL300010817913	0	39	-1.0	-54.61	346.75	3.19	-51.42
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1C	REAL300010817914	0	42	-1.0	-44.43	351.09	3.61	-40.82
COCC(C)S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817915	0	41	-1.0	-72.23	340.53	0.85	-71.38
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300010817916	0	43	-1.0	-66.78	371.57	4.18	-62.60
COC(=O)C1=COC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817917	0	41	-1.0	-53.28	365.47	1.56	-51.72
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300010817918	0	40	-1.0	-49.97	358.39	2.39	-47.58
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C(C)=O)C=C1	REAL300010817919	0	48	-1.0	-53.86	404.59	3.58	-50.28
COC1=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])SC=C1	REAL300010817920	0	39	-1.0	-58.13	340.21	0.96	-57.17
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(NC(C)=O)=C1	REAL300010817921	0	48	-1.0	-86.32	402.55	2.76	-83.56
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300010817922	0	50	-1.0	-54.32	397.07	3.31	-51.01
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(C)=C1	REAL300010817923	0	40	-1.0	-54.49	352.31	2.86	-51.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=CC2=C1	REAL300010817924	0	44	-1.0	-59.21	371.44	2.72	-56.49
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300010817925	0	47	-1.0	-58.47	393.98	5.35	-53.12
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C#N	REAL300010817926	0	42	-1.0	-58.63	349.93	3.36	-55.27
COC1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CC(OC)=C1	REAL300010817927	0	46	-1.0	-52.30	385.37	1.50	-50.80
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300010817928	0	44	-1.0	-60.27	374.66	4.26	-56.01
CCC1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1CC	REAL300010817929	0	50	-1.0	-49.95	403.76	5.46	-44.49
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300010817930	0	46	-1.0	-64.59	378.11	5.48	-59.11
COC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C(C)O1	REAL300010817931	0	44	-1.0	-44.12	374.47	2.17	-41.95
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300010817932	0	39	-1.0	-43.22	336.80	0.72	-42.50
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C)S1	REAL300010817933	0	37	-1.0	-57.27	329.79	1.52	-55.75
COC(=O)C1=NSC=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817934	0	40	-1.0	-58.50	353.53	1.42	-57.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300010817935	0	44	-1.0	-47.30	372.91	4.14	-43.16
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCNC(=O)C2=C1	REAL300010817936	0	46	-1.0	-54.90	385.48	1.29	-53.61
COC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CN1C	REAL300010817937	0	45	-1.0	-57.94	384.82	2.84	-55.10
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(Cl)=C1	REAL300010817938	0	38	-1.0	-62.29	348.09	3.39	-58.90
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(Cl)=C1	REAL300010817939	0	37	-1.0	-66.08	340.30	2.02	-64.06
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300010817940	0	49	-1.0	-52.58	408.20	4.66	-47.92
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C(Cl)=C1	REAL300010817941	0	41	-1.0	-60.81	369.19	5.13	-55.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)C(C(N)=O)=C1	REAL300010817942	0	43	-1.0	-55.23	365.91	-1.00	-56.23
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300010817943	0	41	-1.0	-50.84	348.29	3.94	-46.90
CCOC(=O)C1CCCN1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817944	0	49	-1.0	-50.99	404.75	3.36	-47.63
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1	REAL300010817945	0	38	-1.0	-54.18	328.87	0.58	-53.60
CNC(=O)C1=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=CN1C	REAL300010817946	0	46	-1.0	-55.22	387.87	0.46	-54.76
COC1=CC(C)=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C(C)=C1	REAL300010817947	0	48	-1.0	-68.99	377.65	4.07	-64.92
COC(=O)C1=CC=C(CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1	REAL300010817948	0	47	-1.0	-78.87	405.76	4.57	-74.30
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CCCC2=C1	REAL300010817949	0	49	-1.0	-54.81	399.20	2.96	-51.85
COC(=O)C1=CC=CC(CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817950	0	47	-1.0	-68.12	401.41	5.23	-62.89
CCOC(=O)C1=CC=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])O1	REAL300010817951	0	44	-1.0	-46.86	387.81	2.60	-44.26
COC1=CC(C)=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=C1C	REAL300010817952	0	48	-1.0	-60.81	380.71	4.38	-56.43
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2COC(=O)C2=C1	REAL300010817953	0	42	-1.0	-58.79	362.04	3.20	-55.59
CCOC(=O)CCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817954	0	46	-1.0	-65.50	384.71	4.03	-61.47
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300010817955	0	43	-1.0	-87.02	350.74	5.15	-81.87
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)C=CS1	REAL300010817956	0	35	-1.0	-51.97	330.63	2.29	-49.68
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1COC2=O	REAL300010817957	0	42	-1.0	-52.19	352.97	2.92	-49.27
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300010817958	0	46	-1.0	-53.92	366.61	3.88	-50.04
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010817959	0	40	-1.0	-56.06	358.37	2.13	-53.93
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300010817960	0	43	-1.0	-52.46	349.80	2.98	-49.48
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1F	REAL300010817961	0	40	-1.0	-43.01	350.32	3.73	-39.28
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817962	0	47	-1.0	-57.22	403.21	1.33	-55.89
CCN1C=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300010817963	0	43	-1.0	-62.48	367.50	3.57	-58.91
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1[N+](=O)[O-]	REAL300010817964	0	40	-1.0	-50.26	354.91	4.00	-46.26
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC([N+](=O)[O-])=C1	REAL300010817965	0	40	-1.0	-68.04	362.42	3.77	-64.27
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1=O)C2(C)C	REAL300010817966	0	53	-1.0	-62.42	402.82	5.13	-57.29
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])=C1	REAL300010817967	0	46	-1.0	-64.27	384.25	4.98	-59.29
CCOC(=O)N1CCN(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])CC1	REAL300010817968	0	51	-1.0	-72.48	415.66	1.87	-70.61
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C1CC1	REAL300010817969	0	40	-1.0	-51.43	324.62	1.28	-50.15
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300010817970	0	48	-1.0	-69.77	411.22	4.37	-65.40
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300010817971	0	60	-1.0	-71.48	464.72	5.94	-65.54
CCOC(=O)CCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817972	0	43	-1.0	-59.34	364.03	3.28	-56.06
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C)=C1	REAL300010817973	0	44	-1.0	-61.98	367.49	5.21	-56.77
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300010817974	0	41	-1.0	-62.44	352.72	4.65	-57.79
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C	REAL300010817975	0	44	-1.0	-56.15	362.46	4.07	-52.08
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C=C1F	REAL300010817976	0	41	-1.0	-50.22	350.76	3.26	-46.96
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300010817977	0	50	-1.0	-51.74	416.31	4.36	-47.38
COCCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817978	0	41	-1.0	-76.70	345.98	0.67	-76.03
CCS(=O)(=O)NCCS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817979	0	45	-1.0	-81.93	390.80	-2.12	-84.05
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(C)C=C1F	REAL300010817980	0	41	-1.0	-50.42	350.76	3.28	-47.14
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300010817981	0	44	-1.0	-52.38	376.41	4.06	-48.32
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1F	REAL300010817982	0	38	-1.0	-56.48	333.33	2.84	-53.64
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCO1	REAL300010817983	0	42	-1.0	-59.19	343.26	1.21	-57.98
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCCO1	REAL300010817984	0	45	-1.0	-76.95	364.84	2.22	-74.73
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300010817985	0	44	-1.0	-72.26	382.96	4.86	-67.40
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300010817986	0	46	-1.0	-52.87	389.73	2.56	-50.31
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817987	0	45	-1.0	-62.26	390.98	4.42	-57.84
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C)C2=C1	REAL300010817988	0	42	-1.0	-70.15	367.75	0.19	-69.96
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CCCCl)C=C1	REAL300010817989	0	47	-1.0	-50.25	407.93	5.75	-44.50
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)N=C1	REAL300010817990	0	40	-1.0	-56.06	358.37	2.13	-53.93
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)N=C1	REAL300010817991	0	38	-1.0	-44.35	341.79	1.36	-42.99
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-]	REAL300010817992	0	44	-1.0	-68.27	366.95	4.96	-63.31
CCN1C=C(S(=O)(=O)N(CCNC(C)=O)C(C)C(=O)[O-])C=N1	REAL300010817993	0	41	-1.0	-68.95	351.34	1.37	-67.58
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300010817994	0	41	-1.0	-56.21	360.75	4.01	-52.20
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)N(C)C(C)C1CC1	REAL300010817995	0	46	-1.0	-48.61	367.46	2.74	-45.87
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=CC=CC=C21	REAL300010817996	0	44	-1.0	-59.00	364.40	5.49	-53.51
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300010817997	0	44	-1.0	-52.46	370.64	5.30	-47.16
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)CCC1CCCO1	REAL300010817998	0	45	-1.0	-48.64	367.51	1.75	-46.89
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=C(C#N)C=C1F	REAL300010817999	0	39	-1.0	-49.72	348.55	3.40	-46.32
CC(=O)NCCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300010818000	0	49	-1.0	-58.15	396.20	4.34	-53.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300010819297	0	38	-1.0	-52.56	318.03	4.94	-47.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010819298	0	38	-1.0	-58.14	339.42	5.69	-52.45
CCCN(CC(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300010819299	0	43	-1.0	-42.00	336.56	5.80	-36.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300010819300	0	46	-1.0	-54.86	364.78	6.05	-48.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300010819301	0	39	-1.0	-59.10	350.89	7.51	-51.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010819302	0	38	-1.0	-61.19	331.12	4.06	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300010819303	0	39	-1.0	-53.48	335.60	7.17	-46.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010819304	0	36	-1.0	-56.78	330.74	5.82	-50.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010819305	0	31	-1.0	-50.42	302.84	6.25	-44.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010819306	0	33	-1.0	-49.29	287.52	6.47	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010819307	0	28	-1.0	-48.98	275.52	3.66	-45.32
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300010819308	0	41	-1.0	-63.72	329.87	6.06	-57.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010819309	0	33	-1.0	-49.20	304.12	5.86	-43.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300010819310	0	35	-1.0	-51.55	325.76	5.07	-46.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1	REAL300010819311	0	41	-1.0	-59.67	358.58	6.16	-53.51
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010819312	0	44	-1.0	-50.33	385.50	6.26	-44.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300010819313	0	38	-1.0	-47.01	337.20	2.90	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010819314	0	43	-1.0	-55.08	359.06	6.62	-48.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010819315	0	31	-1.0	-58.14	288.23	5.85	-52.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300010819316	0	33	-1.0	-44.34	297.47	4.19	-40.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300010819317	0	36	-1.0	-43.24	319.74	5.49	-37.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010819318	0	38	-1.0	-46.96	335.84	6.83	-40.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300010819319	0	35	-1.0	-45.76	331.11	6.66	-39.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300010819320	0	33	-1.0	-49.98	314.76	5.55	-44.43
CCCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010819321	0	41	-1.0	-66.73	354.00	1.50	-65.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300010819322	0	34	-1.0	-43.60	316.78	3.16	-40.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300010819323	0	40	-1.0	-57.35	350.89	6.12	-51.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010819324	0	46	-1.0	-42.08	389.64	5.62	-36.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010819325	0	30	-1.0	-49.32	296.40	4.92	-44.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010819326	0	49	0.0	-70.83	388.15	6.24	-64.59
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300010819327	0	37	-1.0	-44.51	324.37	6.60	-37.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300010819328	0	34	-1.0	-52.01	313.94	6.64	-45.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010819329	0	35	-1.0	-49.47	305.50	5.13	-44.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010819330	0	31	-1.0	-40.83	298.09	5.72	-35.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300010819331	0	39	-1.0	-62.95	327.01	5.67	-57.28
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CCC)CC(=O)[O-])=C1C	REAL300010819332	0	58	-1.0	-54.15	458.90	9.62	-44.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010819333	0	40	-1.0	-43.70	328.57	6.36	-37.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300010819334	0	45	-1.0	-61.26	393.29	6.42	-54.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010819335	0	32	-1.0	-54.08	302.85	5.83	-48.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010819336	0	34	-1.0	-54.91	315.10	4.00	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010819337	0	46	-1.0	-46.99	372.40	5.97	-41.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010819338	0	37	-1.0	-52.60	342.12	8.02	-44.58
CCCN(CC(=O)[O-])S(=O)(=O)CCCCCC(=O)OC	REAL300010819339	0	42	-1.0	-63.09	354.52	5.79	-57.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010819340	0	36	-1.0	-44.05	320.27	4.31	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300010819341	0	39	-1.0	-58.00	342.24	3.38	-54.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010819343	0	34	-1.0	-48.15	330.45	6.65	-41.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300010819344	0	42	-1.0	-63.22	350.01	3.97	-59.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Br)C=C1C	REAL300010819345	0	36	-1.0	-49.68	327.99	6.73	-42.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300010819346	0	37	-1.0	-47.12	338.44	5.98	-41.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010819347	0	41	-1.0	-40.53	366.60	4.54	-35.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010819348	0	42	-1.0	-54.17	374.79	7.00	-47.17
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300010819349	0	41	-1.0	-56.95	349.59	5.96	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010819350	0	46	-1.0	-46.75	393.32	6.63	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010819351	0	34	-1.0	-57.65	309.07	3.82	-53.83
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010819352	0	42	-1.0	-44.90	355.05	6.51	-38.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300010819353	0	39	-1.0	-53.02	328.70	6.81	-46.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300010819354	0	39	-1.0	-53.89	349.57	5.07	-48.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010819355	0	34	-1.0	-47.66	308.09	6.06	-41.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010819356	0	34	-1.0	-43.39	310.26	5.98	-37.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300010819357	0	34	-1.0	-52.61	317.69	6.43	-46.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300010819358	0	35	-1.0	-46.44	299.13	5.68	-40.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1	REAL300010819359	0	38	-1.0	-47.51	350.20	4.83	-42.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010819360	0	42	-1.0	-74.66	353.88	4.59	-70.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010819361	0	43	-1.0	-44.95	363.10	4.64	-40.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010819362	0	37	-1.0	-52.77	355.53	3.27	-49.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010819363	0	39	-1.0	-46.50	345.39	6.46	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010819364	0	41	-1.0	-40.53	366.60	4.54	-35.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010819365	0	39	-1.0	-46.79	327.02	5.57	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010819366	0	34	-1.0	-39.27	320.25	6.46	-32.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300010819367	0	41	-1.0	-46.14	353.68	5.74	-40.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1C	REAL300010819368	0	37	-1.0	-46.14	325.65	6.17	-39.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300010819369	0	35	-1.0	-41.84	311.62	4.57	-37.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300010819370	0	42	-1.0	-59.28	359.07	5.46	-53.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300010819371	0	45	-1.0	-60.59	386.96	6.49	-54.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010819372	0	45	-1.0	-58.80	385.52	8.64	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC	REAL300010819373	0	39	-1.0	-62.75	350.51	7.48	-55.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010819374	0	31	-1.0	-49.50	313.62	6.22	-43.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010819375	0	43	0.0	-85.54	353.43	7.06	-78.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010819376	0	39	-1.0	-55.79	327.56	5.58	-50.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1	REAL300010819377	0	46	-1.0	-51.79	398.69	7.83	-43.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C	REAL300010819378	0	43	-1.0	-56.88	360.26	7.19	-49.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010819379	0	31	-1.0	-52.24	310.63	6.40	-45.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300010819380	0	31	-1.0	-41.83	305.34	5.41	-36.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010819381	0	37	-1.0	-47.19	316.17	5.55	-41.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300010819382	0	35	-1.0	-44.48	306.26	4.40	-40.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300010819383	0	39	-1.0	-54.27	324.69	7.98	-46.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010819384	0	37	-1.0	-55.65	336.05	6.93	-48.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010819385	0	41	-1.0	-39.61	350.59	7.53	-32.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300010819386	0	34	-1.0	-48.50	310.57	6.28	-42.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010819387	0	36	-1.0	-54.91	316.16	5.52	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300010819388	0	37	-1.0	-60.17	325.33	6.59	-53.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300010819389	0	39	-1.0	-49.40	330.37	7.04	-42.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010819390	0	31	-1.0	-55.54	306.83	6.42	-49.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010819391	0	33	-1.0	-56.33	322.66	7.49	-48.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010819392	0	41	-1.0	-39.61	350.59	7.53	-32.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010819393	0	30	-1.0	-39.22	293.65	3.87	-35.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010819394	0	31	-1.0	-41.47	312.02	6.27	-35.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010819395	0	42	-1.0	-44.57	372.48	5.03	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010819396	0	31	-1.0	-41.74	296.69	5.59	-36.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300010819397	0	41	-1.0	-57.52	332.57	6.62	-50.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010819398	0	37	-1.0	-41.46	335.21	5.88	-35.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300010819399	0	35	-1.0	-56.04	316.43	5.63	-50.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010819400	0	32	-1.0	-45.62	303.81	3.98	-41.64
CCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010819401	0	44	-1.0	-57.80	363.58	8.46	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010819402	0	42	-1.0	-60.09	356.70	5.90	-54.19
CCCN(CC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010819403	0	48	-1.0	-45.01	364.18	10.88	-34.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010819404	0	45	-1.0	-58.17	369.83	7.43	-50.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300010819405	0	38	-1.0	-55.01	313.05	4.90	-50.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300010819406	0	36	-1.0	-51.79	324.97	4.00	-47.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010819407	0	32	-1.0	-41.36	316.39	6.09	-35.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010819408	0	33	-1.0	-47.79	323.22	6.52	-41.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300010819409	0	38	-1.0	-54.23	337.15	5.83	-48.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300010819410	0	37	-1.0	-50.43	349.35	5.91	-44.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010819411	0	38	-1.0	-54.89	323.79	4.96	-49.93
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300010819412	0	39	-1.0	-54.66	347.28	5.06	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010819413	0	35	-1.0	-43.82	321.36	4.83	-38.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010819414	0	34	-1.0	-37.62	320.23	6.26	-31.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300010819415	0	42	-1.0	-49.38	367.76	2.16	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1	REAL300010819416	0	43	-1.0	-43.05	390.52	8.23	-34.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010819417	0	37	-1.0	-47.00	315.81	4.15	-42.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010819418	0	36	-1.0	-56.03	332.74	0.79	-55.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300010819419	0	37	-1.0	-43.40	331.50	5.77	-37.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl	REAL300010819420	0	39	-1.0	-61.41	345.06	6.72	-54.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300010819421	0	35	-1.0	-42.78	313.97	4.86	-37.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300010819422	0	37	-1.0	-53.39	318.62	4.68	-48.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010819423	0	37	-1.0	-51.56	339.59	6.21	-45.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300010819424	0	37	-1.0	-55.19	320.91	6.41	-48.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010819425	0	31	-1.0	-39.33	297.45	5.95	-33.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300010819426	0	37	-1.0	-40.93	303.95	6.62	-34.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010819427	0	31	-1.0	-49.62	298.62	5.83	-43.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300010819428	0	41	-1.0	-57.55	350.36	2.33	-55.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010819429	0	33	-1.0	-38.18	315.79	6.15	-32.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010819430	0	33	-1.0	-47.46	318.16	6.19	-41.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010819431	0	31	-1.0	-39.13	301.84	6.44	-32.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010819432	0	32	-1.0	-60.60	298.07	3.71	-56.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010819433	0	31	-1.0	-56.47	298.10	5.74	-50.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300010819434	0	41	-1.0	-44.70	357.97	5.91	-38.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010819435	0	31	-1.0	-39.22	301.23	6.08	-33.14
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010819436	0	34	-1.0	-41.66	314.38	6.40	-35.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300010819437	0	34	-1.0	-49.12	321.51	2.71	-46.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010819437	1	33	-2.0	-102.96	318.22	1.58	-101.38
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010819438	0	34	-1.0	-41.63	318.95	6.51	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010819439	0	35	-1.0	-56.25	326.21	2.44	-53.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(=O)OCC	REAL300010819440	0	40	-1.0	-68.69	344.51	7.76	-60.93
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300010819441	0	39	-1.0	-63.28	333.33	3.08	-60.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010819442	0	35	-1.0	-56.01	330.78	2.54	-53.47
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300010819443	0	38	-1.0	-48.91	327.27	5.41	-43.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010819444	0	42	-1.0	-49.99	350.23	6.56	-43.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010819445	0	35	-1.0	-37.14	332.58	6.37	-30.77
CCCN(CC(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	REAL300010819446	0	40	-1.0	-53.08	338.39	3.44	-49.64
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300010819447	0	38	-1.0	-57.73	344.79	5.75	-51.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010819448	0	34	-1.0	-45.01	289.29	4.02	-40.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010819449	0	32	-1.0	-61.09	305.89	5.75	-55.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010819450	0	32	-1.0	-58.07	314.62	6.22	-51.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300010819451	0	37	-1.0	-51.47	331.39	7.01	-44.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1	REAL300010819452	0	48	-1.0	-57.94	411.73	4.86	-53.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010819453	0	37	-1.0	-49.56	329.70	6.43	-43.13
CCCN(CC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300010819454	0	45	-1.0	-58.48	379.20	2.26	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300010819455	0	41	-1.0	-63.87	360.39	2.63	-61.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010819456	0	31	-1.0	-41.44	297.22	6.02	-35.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300010819457	0	48	-1.0	-57.69	387.72	7.10	-50.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300010819458	0	40	-1.0	-47.11	360.84	6.66	-40.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC	REAL300010819459	0	41	-1.0	-52.42	365.66	6.82	-45.60
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300010819460	0	40	-1.0	-54.82	346.37	7.63	-47.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300010819461	0	40	-1.0	-54.41	342.20	7.34	-47.07
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)NC)C=C1	REAL300010819462	0	41	-1.0	-48.33	354.13	4.17	-44.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC	REAL300010819463	0	45	-1.0	-56.45	388.14	6.09	-50.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010819464	0	31	-1.0	-53.92	294.22	5.66	-48.26
CCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010819465	0	44	-1.0	-42.63	374.67	6.73	-35.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F	REAL300010819466	0	40	-1.0	-50.74	366.61	7.13	-43.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010819467	0	33	-1.0	-39.28	319.39	6.90	-32.38
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010819468	0	40	-1.0	-46.33	335.03	2.34	-43.99
CCCN(CC(=O)[O-])S(=O)(=O)C(CC(=O)OCC)C(F)(F)F	REAL300010819469	0	39	-1.0	-56.14	331.88	6.14	-50.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300010819470	0	42	-1.0	-57.33	367.32	4.99	-52.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F	REAL300010819471	0	43	-1.0	-53.58	370.11	7.27	-46.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300010819472	0	45	-1.0	-58.54	387.43	3.38	-55.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300010819473	0	42	-1.0	-58.96	354.77	4.83	-54.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC	REAL300010819474	0	44	-1.0	-60.29	376.22	6.69	-53.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1	REAL300010819475	0	43	-1.0	-46.92	368.58	7.30	-39.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010819476	0	34	-1.0	-43.47	297.73	6.01	-37.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1	REAL300010819477	0	43	-1.0	-47.72	374.72	7.56	-40.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC	REAL300010819478	0	37	-1.0	-47.26	342.92	7.27	-39.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010819479	0	34	-1.0	-54.40	319.81	7.00	-47.40
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300010819480	0	47	-1.0	-40.55	374.71	6.54	-34.01
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300010819481	0	36	-1.0	-43.41	322.67	4.40	-39.01
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010819482	0	37	-1.0	-55.61	336.82	7.17	-48.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F	REAL300010819483	0	40	-1.0	-57.32	354.08	6.71	-50.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010819484	0	41	-1.0	-45.83	350.09	8.60	-37.23
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300010819485	0	45	-1.0	-55.28	394.21	2.94	-52.34
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010819486	0	34	-1.0	-56.44	315.37	6.45	-49.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1	REAL300010819487	0	43	-1.0	-57.62	377.57	6.34	-51.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010819488	0	37	-1.0	-43.90	346.42	3.13	-40.77
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010819489	0	35	-1.0	-57.58	321.18	6.04	-51.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010819490	0	34	-1.0	-52.94	307.25	6.02	-46.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300010819491	0	33	-1.0	-50.68	304.95	4.61	-46.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300010819492	0	34	-1.0	-50.53	316.21	4.92	-45.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010819493	0	32	-1.0	-47.53	298.39	4.00	-43.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300010819494	0	44	-1.0	-58.78	368.02	6.02	-52.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010819495	0	34	-2.0	-105.50	316.39	4.87	-100.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010819495	1	35	-1.0	-54.72	318.29	4.16	-50.56
CCCN(CC(=O)[O-])S(=O)(=O)C1(CC(=O)OCC)CC1	REAL300010819496	0	40	-1.0	-65.17	332.53	6.45	-58.72
CCCN(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010819497	0	48	-1.0	-53.56	418.79	5.59	-47.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010819498	0	32	-1.0	-49.84	317.91	6.05	-43.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300010819499	0	42	-1.0	-58.10	369.52	4.66	-53.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300010819500	0	46	-1.0	-43.04	388.83	8.01	-35.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300010819501	0	43	-1.0	-57.37	378.73	4.37	-53.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010819502	0	36	-1.0	-47.32	322.27	2.37	-44.95
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300010819503	0	43	-1.0	-43.34	348.03	6.30	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010819504	0	30	-1.0	-39.65	307.23	4.38	-35.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300010819505	0	38	-1.0	-53.16	346.79	5.38	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300010819506	0	37	-1.0	-40.86	330.33	6.71	-34.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010819507	0	42	-1.0	-43.06	381.30	8.55	-34.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300010819508	0	40	-1.0	-47.90	352.86	6.63	-41.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010819509	0	33	-1.0	-49.65	303.39	4.97	-44.68
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010819510	0	37	-1.0	-42.62	335.34	7.11	-35.51
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300010819511	0	40	-1.0	-65.19	337.50	5.56	-59.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010819512	0	31	-1.0	-38.08	308.63	5.39	-32.69
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010819513	0	35	-1.0	-57.38	323.28	6.18	-51.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300010819514	0	34	-1.0	-41.50	321.26	6.83	-34.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300010819515	0	44	-1.0	-58.71	384.82	5.51	-53.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1	REAL300010819516	0	47	-1.0	-58.30	406.67	6.44	-51.86
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300010819517	0	46	-1.0	-43.96	360.66	6.68	-37.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1	REAL300010819518	0	39	-1.0	-43.30	342.17	4.53	-38.77
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010819519	0	35	-1.0	-55.61	323.28	4.93	-50.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OCC)=C1	REAL300010819520	0	40	-1.0	-53.24	368.33	7.23	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010819521	0	32	-1.0	-42.33	302.59	5.63	-36.70
CCCN(CC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010819522	0	47	-1.0	-50.80	406.99	7.04	-43.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010819523	0	33	-1.0	-40.16	316.37	4.67	-35.49
CCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300010819524	0	44	-1.0	-42.63	331.32	7.18	-35.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010819525	0	40	-1.0	-55.92	339.75	6.75	-49.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010819526	0	32	-1.0	-48.91	300.57	4.46	-44.45
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010819527	0	37	-1.0	-43.48	329.82	6.76	-36.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010819528	0	34	-1.0	-41.35	311.32	3.65	-37.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010819529	0	33	-1.0	-56.47	318.23	7.39	-49.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F	REAL300010819530	0	40	-1.0	-53.72	348.25	6.34	-47.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1	REAL300010819531	0	39	-1.0	-47.07	352.37	6.58	-40.49
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300010819532	0	40	-1.0	-45.33	327.58	6.35	-38.98
CCCN(CC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010819533	0	41	-1.0	-44.60	353.18	5.95	-38.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300010819534	0	58	-1.0	-43.95	424.99	10.67	-33.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010819535	0	36	-1.0	-48.81	325.29	6.70	-42.11
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OCC)C=C1	REAL300010819536	0	43	-1.0	-43.69	374.32	7.48	-36.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1C(=O)OC	REAL300010819537	0	36	-1.0	-47.48	310.04	4.69	-42.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300010819538	0	38	-1.0	-51.13	343.20	5.44	-45.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300010819539	0	43	-1.0	-54.46	354.82	6.72	-47.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010819540	0	39	-1.0	-53.60	335.50	6.12	-47.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010819541	0	34	-1.0	-51.87	311.58	5.63	-46.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010819542	0	34	-1.0	-54.16	324.18	7.14	-47.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F	REAL300010819543	0	45	-1.0	-49.16	393.27	3.50	-45.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F	REAL300010819543	1	44	-2.0	-106.30	390.03	3.58	-102.72
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010819544	0	34	-1.0	-39.21	324.67	6.56	-32.65
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010819545	0	40	-1.0	-51.09	358.35	3.41	-47.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300010819546	0	40	-1.0	-54.77	342.22	8.08	-46.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C	REAL300010819547	0	40	-1.0	-55.26	347.14	6.41	-48.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010819548	0	46	-1.0	-61.93	396.67	5.70	-56.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300010819549	0	44	-1.0	-60.41	371.52	5.52	-54.89
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010819550	0	34	-1.0	-58.62	317.47	6.37	-52.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010819551	0	37	-1.0	-48.39	321.61	7.34	-41.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=C(CC)C=C1CC	REAL300010819552	0	49	-1.0	-53.91	378.98	9.54	-44.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300010819553	0	50	-1.0	-45.16	417.43	5.96	-39.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010819554	0	38	-1.0	-46.31	331.89	4.96	-41.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010819555	0	33	-1.0	-47.72	324.06	5.10	-42.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300010819556	0	39	-1.0	-47.68	344.47	4.94	-42.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010819557	0	39	-1.0	-51.51	346.19	3.73	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010819558	0	36	-1.0	-54.06	330.14	0.14	-53.92
CCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010819559	0	42	-1.0	-52.80	347.13	2.30	-50.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300010819560	0	35	-1.0	-41.76	321.44	5.05	-36.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010819561	0	34	-1.0	-42.85	308.47	2.61	-40.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC	REAL300010819562	0	44	-1.0	-58.38	368.43	5.95	-52.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300010819563	0	40	-1.0	-45.27	342.13	8.03	-37.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010819564	0	35	-1.0	-52.02	315.86	5.44	-46.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010819565	0	35	-1.0	-51.91	326.18	5.90	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1	REAL300010819566	0	40	-1.0	-49.82	358.31	6.69	-43.13
CCCN(CC(=O)[O-])S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300010819567	0	44	-1.0	-44.57	363.17	6.56	-38.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300010819568	0	35	-1.0	-56.31	306.10	5.17	-51.14
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010819569	0	34	-1.0	-55.95	333.37	6.95	-49.00
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010819570	0	34	-1.0	-55.03	332.01	6.97	-48.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010819571	0	34	-1.0	-43.24	315.48	4.30	-38.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300010819572	0	39	-1.0	-50.53	338.35	7.02	-43.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300010819573	0	47	-1.0	-58.43	375.85	7.42	-51.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010819574	0	38	-1.0	-55.59	350.38	7.53	-48.06
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010819575	0	38	-1.0	-49.58	339.85	7.07	-42.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300010819576	0	34	-1.0	-41.77	319.17	2.43	-39.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OCC)C=C1F	REAL300010819577	0	40	-1.0	-43.18	353.36	6.70	-36.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1	REAL300010819578	0	40	-1.0	-52.71	368.47	6.78	-45.93
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010819579	0	34	-1.0	-41.05	314.38	6.41	-34.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300010819580	0	34	-1.0	-41.61	311.35	6.29	-35.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010819581	0	37	-1.0	-47.50	324.02	6.17	-41.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300010819582	0	40	-1.0	-54.01	361.20	6.62	-47.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300010819583	0	37	-1.0	-50.82	341.17	6.10	-44.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300010819584	0	40	-1.0	-58.26	346.48	6.10	-52.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300010819585	0	38	-1.0	-53.45	326.40	5.37	-48.08
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300010819586	0	37	-1.0	-56.57	331.02	7.06	-49.51
CCCN(CC(=O)[O-])S(=O)(=O)CCCC1CCOCC1	REAL300010819587	0	44	-1.0	-41.62	352.57	5.23	-36.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010819588	0	46	-1.0	-47.06	390.59	2.99	-44.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010819589	0	39	-1.0	-44.64	308.52	6.51	-38.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010819590	0	38	-1.0	-48.61	341.01	3.04	-45.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010819591	0	31	-1.0	-42.43	298.49	5.76	-36.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Br)S1	REAL300010819592	0	31	-1.0	-51.07	299.85	5.52	-45.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010819593	0	40	-1.0	-49.42	332.44	5.57	-43.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=COC(C(=O)N(C)C)=C1C	REAL300010819594	0	41	-1.0	-57.85	350.60	4.13	-53.72
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010819595	0	37	-1.0	-56.10	326.50	6.73	-49.37
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300010819596	0	37	-1.0	-43.56	324.71	6.71	-36.85
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010819597	0	37	-1.0	-42.75	331.84	7.05	-35.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300010819598	0	35	-1.0	-51.97	326.69	5.79	-46.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300010819599	0	46	-1.0	-54.32	375.09	4.16	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300010819600	0	42	-1.0	-56.16	361.47	5.41	-50.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300010819601	0	38	-1.0	-43.12	346.48	7.55	-35.57
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCOC1	REAL300010819602	0	42	-1.0	-44.07	339.47	3.03	-41.04
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010819603	0	34	-1.0	-55.35	321.70	6.52	-48.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010819604	0	35	-1.0	-52.22	328.21	2.55	-49.67
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010819605	0	34	-1.0	-55.88	318.45	6.41	-49.47
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010819606	0	31	-1.0	-48.67	313.00	6.27	-42.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300010819607	0	38	-1.0	-64.34	330.90	2.58	-61.76
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300010819608	0	56	-1.0	-52.90	455.39	10.09	-42.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300010819609	0	46	-1.0	-49.09	385.77	7.54	-41.55
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCC)CC(=O)[O-]	REAL300010819610	0	41	-1.0	-56.68	364.19	7.45	-49.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010819611	0	31	-1.0	-42.26	302.90	5.86	-36.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010819612	0	37	-1.0	-41.46	335.21	5.88	-35.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300010819613	0	45	-1.0	-45.90	384.08	8.27	-37.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010819614	0	45	-1.0	-48.39	393.37	8.54	-39.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010819615	0	30	-1.0	-46.31	285.60	4.37	-41.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300010819616	0	43	-1.0	-48.15	359.60	4.64	-43.51
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300010819617	0	41	-1.0	-56.31	356.64	6.26	-50.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010819618	0	43	-1.0	-55.85	358.92	6.60	-49.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)C=NN1C	REAL300010819619	0	37	-1.0	-52.29	317.30	3.99	-48.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300010819620	0	39	-1.0	-44.67	357.79	4.08	-40.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300010819621	0	43	-1.0	-57.21	363.64	8.07	-49.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300010819622	0	42	-1.0	-45.33	360.59	4.29	-41.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300010819623	0	37	-1.0	-50.31	330.83	5.66	-44.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300010819624	0	42	-1.0	-63.58	361.80	6.53	-57.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300010819625	0	44	-1.0	-49.58	365.93	6.85	-42.73
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300010819626	0	44	-1.0	-56.41	352.70	5.50	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300010819627	0	47	-1.0	-56.83	366.52	6.18	-50.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010819628	0	34	-1.0	-45.29	315.85	4.69	-40.60
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300010819629	0	50	-1.0	-44.19	407.36	8.24	-35.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010819630	0	34	-1.0	-64.51	318.47	4.71	-59.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300010819631	0	35	-1.0	-43.85	305.40	5.13	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300010819632	0	39	-1.0	-52.88	332.00	7.18	-45.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010819633	0	38	-1.0	-50.55	318.94	4.99	-45.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010819634	0	44	-1.0	-51.71	372.79	7.39	-44.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300010819635	0	37	-1.0	-52.06	332.96	4.54	-47.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300010819636	0	44	-1.0	-62.06	369.71	6.94	-55.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC	REAL300010819637	0	37	-1.0	-63.38	343.60	7.43	-55.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300010819638	0	42	-1.0	-62.01	360.00	5.72	-56.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010819639	0	34	-1.0	-42.35	314.13	3.69	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010819640	0	42	-1.0	-55.90	375.60	9.25	-46.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300010819641	0	34	-1.0	-48.44	310.59	6.27	-42.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010819642	0	41	-1.0	-62.22	341.16	8.69	-53.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300010819643	0	51	-1.0	-53.88	426.48	9.82	-44.06
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(C)=CC=C1Br	REAL300010819644	0	37	-1.0	-57.29	336.72	7.11	-50.18
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)C=CC=C1OC	REAL300010819645	0	38	-1.0	-58.99	343.47	5.82	-53.17
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010819646	0	37	-1.0	-45.81	329.79	6.73	-39.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300010819647	0	34	-1.0	-57.32	304.10	5.84	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010819648	0	30	-1.0	-41.93	293.35	3.73	-38.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300010819649	0	40	-1.0	-50.81	337.53	4.17	-46.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010819650	0	37	-1.0	-50.11	328.84	3.61	-46.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010819651	0	38	-1.0	-44.00	351.44	4.48	-39.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)C=CO1	REAL300010819652	0	34	-1.0	-49.00	307.25	5.02	-43.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CC)=C(OC)C=C1C	REAL300010819653	0	44	-1.0	-52.80	354.25	6.35	-46.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010819654	0	37	-1.0	-49.96	346.27	7.02	-42.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300010819655	0	39	-1.0	-46.35	345.69	6.17	-40.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010819656	0	33	-1.0	-60.43	299.57	4.03	-56.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(Cl)C=C1C	REAL300010819657	0	34	-1.0	-48.61	319.71	6.68	-41.93
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300010819658	0	40	-1.0	-47.27	323.89	8.15	-39.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010819659	0	38	-1.0	-50.51	336.90	5.08	-45.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300010819660	0	40	-1.0	-44.07	346.90	4.92	-39.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010819661	0	36	-1.0	-57.42	318.83	3.61	-53.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1	REAL300010819662	0	40	-1.0	-59.88	360.34	6.66	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010819663	0	31	-1.0	-42.90	279.43	2.23	-40.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300010819664	0	36	-1.0	-50.50	324.38	6.44	-44.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010819665	0	37	-1.0	-46.58	325.02	6.15	-40.43
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010819666	0	48	0.0	-81.59	376.63	4.38	-77.21
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCN(C)CC1	REAL300010819666	1	47	-1.0	-57.30	372.56	1.88	-55.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010819667	0	31	-1.0	-51.18	293.39	3.13	-48.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010819668	0	31	-1.0	-50.15	298.40	3.55	-46.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C#N	REAL300010819669	0	35	-1.0	-54.00	306.42	6.11	-47.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300010819670	0	40	-1.0	-50.31	344.18	3.66	-46.65
CCCCN1C=C(S(=O)(=O)N(CCC)CC(=O)[O-])C(C)=N1	REAL300010819671	0	43	-1.0	-44.46	358.34	5.86	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC	REAL300010819672	0	41	-1.0	-54.30	358.88	5.81	-48.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC	REAL300010819673	0	41	-1.0	-67.12	351.70	6.11	-61.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300010819674	0	35	-1.0	-53.97	303.42	5.35	-48.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1	REAL300010819675	0	47	-1.0	-44.41	385.86	7.44	-36.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010819676	0	43	-1.0	-41.55	354.11	7.45	-34.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010819677	0	32	-1.0	-50.14	302.19	5.60	-44.54
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010819678	0	34	-1.0	-56.27	318.48	6.40	-49.87
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010819679	0	50	-1.0	-43.52	399.51	9.70	-33.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C	REAL300010819680	0	36	-1.0	-56.54	334.15	5.15	-51.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)NC=N1	REAL300010819681	0	28	-1.0	-47.26	274.10	3.45	-43.81
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010819682	0	39	-1.0	-45.84	342.51	6.02	-39.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010819683	0	30	-1.0	-49.20	294.02	4.08	-45.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010819684	0	30	-1.0	-41.80	288.76	3.65	-38.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CN=C1OC	REAL300010819685	0	34	-1.0	-52.30	318.82	3.09	-49.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010819686	0	36	-1.0	-54.12	330.41	5.99	-48.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010819687	0	33	-1.0	-50.17	314.71	5.03	-45.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010819688	0	41	-1.0	-46.27	362.93	6.02	-40.25
CCCN(CC(=O)[O-])S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010819689	0	34	-1.0	-53.09	316.55	6.01	-47.08
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010819690	0	30	-1.0	-57.62	303.08	3.53	-54.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010819691	0	33	-1.0	-50.47	328.51	5.20	-45.27
CCCN(CC(=O)[O-])S(=O)(=O)N=S(=O)(CC)CC	REAL300010819692	0	37	-1.0	-74.59	315.56	2.50	-72.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300010819693	0	33	-1.0	-44.85	305.14	6.11	-38.74
CCCN(CC(=O)[O-])S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010819694	0	39	-1.0	-57.99	324.10	4.41	-53.58
CCCN(CC(=O)[O-])S(=O)(=O)C1(C(=O)OCC)CCC1	REAL300010819695	0	40	-1.0	-55.68	318.86	5.58	-50.10
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010819696	0	42	-1.0	-65.16	360.43	1.74	-63.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010819697	0	32	-1.0	-50.96	320.12	4.27	-46.69
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010819698	0	40	-1.0	-43.98	352.46	6.55	-37.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010819699	0	34	-1.0	-48.04	322.48	6.76	-41.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010819700	0	34	-1.0	-51.37	300.61	3.49	-47.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010819701	0	41	-1.0	-50.55	328.75	5.03	-45.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010819702	0	28	-1.0	-53.39	277.85	4.50	-48.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010819703	0	43	-1.0	-56.50	349.56	5.63	-50.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010819704	0	41	-1.0	-45.12	343.55	5.54	-39.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010819705	0	34	-1.0	-43.33	302.19	3.92	-39.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010819706	0	31	-1.0	-55.69	295.24	3.20	-52.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010819707	0	33	-1.0	-51.43	312.72	4.26	-47.17
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300010819708	0	38	-1.0	-58.94	333.16	5.31	-53.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010819709	0	45	-1.0	-52.39	380.89	6.37	-46.02
C=CCCC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300010819710	0	41	-1.0	-53.83	352.27	7.93	-45.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010819711	0	34	-1.0	-53.68	305.98	2.90	-50.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1C	REAL300010819712	0	34	-1.0	-48.49	319.71	6.68	-41.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300010819713	0	36	-1.0	-52.34	320.90	5.66	-46.68
CCCN(CC(=O)[O-])S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010819714	0	40	-1.0	-73.58	334.69	2.94	-70.64
CCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300010819715	0	53	-1.0	-45.54	428.86	9.03	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010819716	0	34	-1.0	-41.34	312.58	6.10	-35.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010819717	0	42	-1.0	-57.83	357.86	5.61	-52.22
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010819718	0	35	-1.0	-52.73	325.84	6.94	-45.79
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)(C)C	REAL300010819719	0	53	-1.0	-44.50	419.90	8.90	-35.60
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1CC	REAL300010819720	0	47	-1.0	-45.45	390.43	7.71	-37.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010819721	0	38	-1.0	-59.32	338.81	7.11	-52.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300010819722	0	37	-1.0	-40.92	314.27	7.06	-33.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC	REAL300010819723	0	45	-1.0	-65.44	372.14	4.95	-60.49
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010819724	0	34	-1.0	-58.14	330.13	6.89	-51.25
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010819725	0	34	-1.0	-58.94	321.00	6.49	-52.45
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010819726	0	41	-1.0	-45.31	356.01	7.10	-38.21
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300010819727	0	37	-1.0	-56.10	335.67	7.07	-49.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CN=C1Cl	REAL300010819728	0	33	-1.0	-53.91	298.75	4.24	-49.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300010819729	0	35	-1.0	-45.28	322.40	5.37	-39.91
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300010819730	0	41	-1.0	-57.03	349.40	7.47	-49.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OCC)C=NN1C	REAL300010819731	0	40	-1.0	-52.06	339.16	4.92	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010819732	0	35	-1.0	-45.49	322.65	6.82	-38.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010819733	0	36	-1.0	-50.28	311.19	2.18	-48.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300010819734	0	35	-1.0	-49.13	309.47	0.61	-48.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1	REAL300010819735	0	43	-1.0	-44.59	381.59	6.83	-37.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC	REAL300010819736	0	44	-1.0	-54.59	375.74	5.88	-48.71
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010819737	0	40	-1.0	-61.10	336.95	5.88	-55.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300010819738	0	31	-1.0	-46.57	286.06	5.04	-41.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=N1	REAL300010819739	0	36	-1.0	-58.46	322.15	3.71	-54.75
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010819740	0	37	-1.0	-56.04	326.50	6.73	-49.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300010819741	0	47	-1.0	-53.59	385.88	7.80	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010819742	0	36	-1.0	-51.41	298.80	5.05	-46.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300010819743	0	51	-1.0	-60.32	402.85	7.65	-52.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300010819744	0	38	-1.0	-56.71	338.60	5.49	-51.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010819745	0	45	-1.0	-44.49	371.44	5.27	-39.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010819746	0	46	-1.0	-55.95	386.58	7.84	-48.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1	REAL300010819747	0	45	-1.0	-56.12	376.70	7.12	-49.00
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010819748	0	38	-2.0	-96.15	320.86	4.86	-91.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300010819749	0	46	-1.0	-44.17	404.79	9.05	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010819750	0	38	-1.0	-52.82	321.04	4.61	-48.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010819751	0	38	-1.0	-50.01	313.57	4.74	-45.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010819752	0	41	-1.0	-52.13	342.47	5.57	-46.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21	REAL300010819753	0	43	-1.0	-45.12	349.62	7.30	-37.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1OCC	REAL300010819754	0	44	-1.0	-61.51	375.99	6.68	-54.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC	REAL300010819755	0	41	-1.0	-48.15	343.38	5.75	-42.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010819756	0	42	-1.0	-45.47	342.34	3.58	-41.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010819757	0	37	-1.0	-52.55	342.39	6.03	-46.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010819758	0	37	-1.0	-42.49	326.62	2.43	-40.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300010819759	0	28	-1.0	-43.22	275.61	4.36	-38.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300010819760	0	38	-1.0	-50.46	315.59	5.14	-45.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300010819761	0	35	-1.0	-41.50	321.81	4.74	-36.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300010819762	0	35	-1.0	-52.91	313.18	4.51	-48.40
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300010819763	0	56	-1.0	-43.97	450.36	9.80	-34.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300010819764	0	47	-1.0	-56.88	379.53	7.28	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300010819765	0	41	-1.0	-57.40	344.73	6.68	-50.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1	REAL300010819766	0	54	-1.0	-47.10	441.34	7.66	-39.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300010819767	0	39	-1.0	-59.37	324.31	5.62	-53.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010819768	0	39	-1.0	-51.19	344.22	4.79	-46.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010819769	0	39	-1.0	-56.17	343.21	7.36	-48.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300010819770	0	35	-1.0	-45.26	311.56	5.85	-39.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300010819771	0	34	-1.0	-53.92	310.30	6.22	-47.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300010819772	0	34	-1.0	-54.66	316.39	7.03	-47.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC(C(=O)OC)=C1	REAL300010819773	0	36	-1.0	-49.71	326.88	4.04	-45.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)OC)=C1Br	REAL300010819774	0	37	-1.0	-60.47	341.71	6.47	-54.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300010819775	0	48	-1.0	-65.56	385.39	7.25	-58.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010819776	0	37	-1.0	-57.49	325.29	5.69	-51.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300010819777	0	45	-1.0	-55.38	375.35	6.80	-48.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010819778	0	31	-1.0	-42.57	294.48	3.19	-39.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010819779	0	33	-1.0	-48.39	309.17	4.34	-44.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300010819780	0	36	-1.0	-56.66	315.85	4.77	-51.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010819781	0	35	-1.0	-56.89	327.11	5.63	-51.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010819782	0	34	-1.0	-65.06	313.92	4.61	-60.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010819783	0	34	-1.0	-48.13	315.04	6.64	-41.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010819784	0	38	-1.0	-45.85	326.97	4.95	-40.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300010819785	0	40	-1.0	-52.18	321.10	7.13	-45.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300010819786	0	39	-1.0	-56.45	326.42	5.08	-51.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010819787	0	40	-1.0	-61.65	343.28	2.38	-59.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010819788	0	32	-1.0	-37.43	316.40	6.08	-31.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300010819789	0	39	-1.0	-49.40	334.55	5.50	-43.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300010819790	0	34	-1.0	-49.41	334.12	4.56	-44.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010819791	0	28	-1.0	-39.26	296.21	5.40	-33.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010819792	0	44	-1.0	-46.48	357.74	5.95	-40.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010819793	0	35	-1.0	-43.30	325.53	7.03	-36.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010819794	0	38	-1.0	-47.49	325.31	4.87	-42.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010819795	0	33	-2.0	-100.56	305.89	5.70	-94.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010819796	0	35	-1.0	-54.07	314.30	4.73	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010819797	0	35	-1.0	-46.34	326.44	5.61	-40.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010819798	0	34	-1.0	-59.04	303.51	4.32	-54.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010819799	0	36	-1.0	-69.14	318.07	3.77	-65.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010819800	0	31	-2.0	-109.88	304.49	5.51	-104.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300010819801	0	37	-1.0	-42.84	321.12	6.74	-36.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010819802	0	37	-1.0	-50.28	338.92	6.17	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010819803	0	34	-1.0	-53.21	304.36	5.40	-47.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010819804	0	41	-1.0	-46.59	340.36	5.37	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)NCCC1=CC=CC=C1	REAL300010819805	0	39	-1.0	-50.95	328.10	4.76	-46.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300010819806	0	49	-1.0	-57.52	386.72	9.13	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010819807	0	37	-1.0	-44.70	347.11	7.06	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010819808	0	41	-1.0	-53.33	345.12	5.57	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010819809	0	35	-1.0	-56.15	314.22	6.43	-49.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010819810	0	42	-1.0	-46.06	367.58	8.03	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010819811	0	44	-1.0	-53.51	365.70	3.60	-49.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300010819812	0	40	-1.0	-71.37	338.42	6.41	-64.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300010819813	0	37	-1.0	-48.33	328.72	3.41	-44.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010819814	0	32	-1.0	-58.71	299.77	5.66	-53.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010819815	0	38	-1.0	-51.76	314.97	4.47	-47.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010819816	0	35	-1.0	-47.83	327.59	6.26	-41.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300010819817	0	43	-1.0	-55.33	375.60	8.05	-47.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010819818	0	40	-1.0	-48.56	364.91	7.78	-40.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010819819	0	40	-1.0	-52.09	320.40	4.77	-47.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010819820	0	40	-1.0	-53.29	335.64	4.64	-48.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010819821	0	38	-1.0	-44.25	318.81	4.13	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300010819822	0	36	-1.0	-43.67	326.84	5.01	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010819823	0	34	-1.0	-48.36	320.11	6.21	-42.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010819824	0	31	-1.0	-55.83	300.06	5.52	-50.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010819825	0	31	-1.0	-48.92	306.97	5.27	-43.65
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300010819826	0	36	-1.0	-51.25	301.68	4.31	-46.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNC(C)=O)C=C1	REAL300010819827	0	41	-1.0	-57.02	356.96	4.17	-52.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010819828	0	28	-1.0	-48.98	275.52	3.66	-45.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010819829	0	34	-1.0	-37.72	327.79	6.62	-31.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010819830	0	34	-1.0	-58.19	294.47	6.06	-52.13
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300010819831	0	42	-1.0	-55.68	360.46	7.22	-48.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010819832	0	42	-1.0	-45.14	338.83	8.10	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010819833	0	41	-1.0	-56.54	355.19	6.83	-49.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010819834	0	37	-1.0	-51.69	335.03	6.10	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010819835	0	36	-1.0	-53.19	330.18	5.79	-47.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010819836	0	38	-1.0	-48.48	326.94	3.53	-44.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300010819837	0	41	-1.0	-51.13	371.26	5.92	-45.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010819838	0	31	-1.0	-51.85	303.25	6.04	-45.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010819839	0	31	-1.0	-56.87	298.25	5.39	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010819840	0	34	-1.0	-54.57	309.47	6.55	-48.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300010819841	0	37	-1.0	-51.00	341.58	5.51	-45.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010819842	0	38	-1.0	-44.91	326.02	7.21	-37.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010819843	0	33	-1.0	-49.43	329.76	5.40	-44.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010819844	0	41	-1.0	-51.56	343.17	5.83	-45.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)CC	REAL300010819845	0	40	-1.0	-41.53	328.22	4.87	-36.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300010819846	0	40	-1.0	-61.82	346.27	2.67	-59.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010819847	0	34	-1.0	-55.70	330.00	1.70	-54.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300010819848	0	40	-1.0	-61.82	346.27	2.67	-59.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010819849	0	34	-1.0	-59.73	303.09	6.51	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC	REAL300010819850	0	43	-1.0	-53.98	359.58	8.72	-45.26
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300010819851	0	45	-1.0	-42.18	342.82	6.05	-36.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010819852	0	31	-1.0	-39.44	299.97	4.42	-35.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300010819853	0	35	-1.0	-51.93	312.38	5.24	-46.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010819854	0	45	-1.0	-55.01	369.11	4.21	-50.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010819855	0	37	-1.0	-48.28	329.12	6.72	-41.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010819856	0	35	-1.0	-47.19	315.15	4.77	-42.42
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010819857	0	46	-1.0	-42.13	370.87	7.82	-34.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300010819858	0	42	-1.0	-52.09	340.35	7.23	-44.86
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010819859	0	39	-1.0	-39.23	332.63	5.33	-33.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC)=C1	REAL300010819860	0	41	-1.0	-46.25	352.83	5.88	-40.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F	REAL300010819861	0	40	-1.0	-57.80	357.73	7.14	-50.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010819862	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010819863	0	41	-1.0	-50.47	350.82	6.35	-44.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010819864	0	44	-1.0	-44.78	362.54	6.13	-38.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010819865	0	34	-1.0	-53.50	326.66	7.25	-46.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010819866	0	42	-1.0	-45.03	364.58	8.04	-36.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CC(=O)OCC	REAL300010819867	0	43	-1.0	-59.93	361.39	7.57	-52.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300010819868	0	37	-1.0	-51.37	328.83	6.66	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010819869	0	36	-1.0	-53.18	331.85	6.46	-46.72
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010819870	0	30	-1.0	-58.12	298.83	3.42	-54.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010819871	0	32	-1.0	-59.91	297.79	5.50	-54.41
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010819872	0	35	-1.0	-42.02	312.84	4.65	-37.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010819873	0	37	-1.0	-52.69	348.74	6.39	-46.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010819874	0	30	-1.0	-39.36	293.54	3.82	-35.54
CCCN(CC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010819875	0	43	-1.0	-45.18	357.96	2.91	-42.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300010819876	0	34	-1.0	-51.24	312.84	3.96	-47.28
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010819877	0	35	-1.0	-45.36	326.67	6.91	-38.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300010819878	0	37	-1.0	-43.37	361.05	6.43	-36.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010819879	0	31	-1.0	-42.01	305.42	6.09	-35.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010819880	0	33	-1.0	-41.37	312.40	4.33	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010819881	0	36	-1.0	-63.77	327.62	6.21	-57.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010819882	0	36	-1.0	-49.71	315.92	5.67	-44.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010819883	0	33	-1.0	-41.37	312.40	4.33	-37.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010819884	0	34	-1.0	-53.44	334.65	7.17	-46.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300010819885	0	40	-1.0	-61.20	334.12	8.11	-53.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300010819886	0	35	-1.0	-44.69	327.43	6.17	-38.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010819887	0	38	-1.0	-56.10	332.99	5.52	-50.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010819888	0	45	-1.0	-43.24	380.49	6.71	-36.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010819889	0	31	-1.0	-52.71	299.54	5.69	-47.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300010819890	0	37	-1.0	-60.75	339.19	1.46	-59.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010819891	0	41	-1.0	-45.81	348.17	6.36	-39.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010819892	0	37	-1.0	-56.33	349.41	2.60	-53.73
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010819893	0	35	-1.0	-53.13	315.52	6.49	-46.64
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010819894	0	35	-1.0	-52.69	330.41	7.04	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010819895	0	35	-1.0	-52.54	330.40	7.05	-45.49
CCCN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010819896	0	36	-1.0	-43.72	317.09	-0.88	-44.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010819897	0	33	-1.0	-49.89	306.77	4.58	-45.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300010819898	0	40	-1.0	-49.46	350.23	4.40	-45.06
CCCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010819899	0	48	-1.0	-58.51	351.83	8.04	-50.47
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010819900	0	39	-1.0	-54.46	309.71	5.41	-49.05
CCCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300010819901	0	39	-1.0	-66.15	341.20	1.75	-64.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010819902	0	44	-1.0	-59.94	349.13	5.51	-54.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CN2C(C(=O)OCC)=N1	REAL300010819903	0	43	-1.0	-64.66	372.13	6.66	-58.00
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010819904	0	35	-1.0	-63.41	322.80	4.20	-59.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1	REAL300010819905	0	40	-1.0	-49.10	357.63	7.07	-42.03
CCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010819906	0	41	-1.0	-58.70	358.13	8.07	-50.63
CCCN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010819907	0	40	-1.0	-42.36	327.94	2.61	-39.75
CCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@H]1C(=O)OCC	REAL300010819908	0	40	-1.0	-45.15	346.84	6.05	-39.10
CCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010819909	0	44	-1.0	-56.73	342.17	7.15	-49.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010819910	0	35	-1.0	-53.93	319.29	6.48	-47.45
CCCN(CC(=O)[O-])S(=O)(=O)N1CCCCC1C(=O)OC	REAL300010819911	0	42	-1.0	-59.12	331.25	5.60	-53.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010819912	0	53	-1.0	-46.45	405.48	9.35	-37.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010819913	0	34	-1.0	-46.55	321.34	6.01	-40.54
CCCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300010819914	0	42	-1.0	-54.09	352.82	6.24	-47.85
CCCN(CC(=O)[O-])S(=O)(=O)NCC1=CC=CC(C)=C1	REAL300010819915	0	39	-1.0	-50.81	328.01	4.64	-46.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=NNC(C(=O)OCC)=C1	REAL300010819916	0	37	-1.0	-52.83	337.57	3.03	-49.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1	REAL300010819916	1	36	-2.0	-108.34	330.51	3.00	-105.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1	REAL300010819916	1	36	-2.0	-108.35	330.64	3.00	-105.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300010819917	0	36	-1.0	-57.08	324.28	3.11	-53.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1	REAL300010819918	0	34	-1.0	-49.43	330.05	4.45	-44.98
CCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010819919	0	43	-1.0	-53.52	332.66	5.52	-48.00
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010819920	0	42	-1.0	-42.97	354.14	6.97	-36.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300010819921	0	35	-1.0	-45.17	325.77	6.43	-38.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010819922	0	35	-1.0	-53.36	320.24	6.14	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300010819923	0	35	-1.0	-46.29	313.59	4.76	-41.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010819924	0	35	-1.0	-43.44	321.38	4.84	-38.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010819925	0	37	-1.0	-52.13	316.02	4.99	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010819926	0	34	-1.0	-60.14	303.00	6.37	-53.77
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010819927	0	40	-1.0	-51.93	353.83	5.63	-46.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010819928	0	28	-1.0	-47.10	300.54	5.27	-41.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300010819929	0	44	-1.0	-54.99	362.61	7.44	-47.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010819930	0	48	-1.0	-53.52	393.31	7.06	-46.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010819931	0	34	-1.0	-51.66	330.37	6.53	-45.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010819932	0	36	-1.0	-54.76	326.50	5.80	-48.96
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300010819933	0	39	-1.0	-61.42	329.45	4.58	-56.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300010819934	0	28	-1.0	-53.63	289.84	5.13	-48.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010819935	0	42	-1.0	-56.45	365.39	8.06	-48.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010819936	0	37	-1.0	-50.90	307.64	6.60	-44.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010819937	0	34	-1.0	-53.68	305.98	2.90	-50.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010819938	0	36	-1.0	-40.56	330.78	3.78	-36.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010819939	0	32	-1.0	-44.82	307.44	4.15	-40.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300010819940	0	33	-1.0	-41.48	294.68	4.22	-37.26
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC)CC(=O)[O-])=C1	REAL300010819941	0	42	-1.0	-49.73	359.56	6.81	-42.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300010819942	0	41	-1.0	-47.31	346.84	5.74	-41.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300010819943	0	35	-1.0	-44.65	306.87	4.24	-40.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010819944	0	37	-1.0	-52.82	337.56	7.92	-44.90
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300010819945	0	39	-1.0	-55.22	332.94	4.27	-50.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010819946	0	41	-1.0	-52.23	365.89	9.08	-43.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1	REAL300010819947	0	34	-1.0	-59.83	328.82	5.82	-54.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(CC)=C1	REAL300010819948	0	37	-1.0	-41.76	334.93	7.07	-34.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300010819949	0	44	-1.0	-44.50	356.95	6.22	-38.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300010819950	0	45	-1.0	-59.02	376.27	5.61	-53.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010819951	0	37	-1.0	-45.78	326.28	7.68	-38.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010819952	0	39	-1.0	-47.57	322.61	2.73	-44.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010819953	0	37	-1.0	-52.88	339.81	4.97	-47.91
CCCN(CC(=O)[O-])S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300010819954	0	45	-1.0	-66.43	385.28	5.52	-60.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010819955	0	46	-1.0	-53.24	376.94	5.53	-47.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300010819956	0	34	-1.0	-52.54	314.25	2.98	-49.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300010819957	0	37	-1.0	-45.05	323.23	2.60	-42.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300010819958	0	40	-1.0	-54.73	338.52	5.29	-49.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300010819959	0	40	-1.0	-55.61	343.09	4.92	-50.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010819960	0	30	-1.0	-39.14	303.31	3.17	-35.97
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010819961	0	41	-1.0	-55.37	335.54	2.85	-52.52
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300010819962	0	37	-1.0	-58.45	329.18	3.05	-55.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010819963	0	34	-1.0	-64.51	318.47	4.71	-59.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010819964	0	29	-1.0	-52.44	290.54	2.98	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)S1	REAL300010819965	0	35	-1.0	-49.90	324.46	3.22	-46.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC(C)=C1C	REAL300010819966	0	37	-1.0	-51.11	308.78	6.27	-44.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010819967	0	28	-1.0	-39.26	296.21	5.40	-33.86
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300010819968	0	35	-1.0	-55.92	321.00	5.73	-50.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010819969	0	33	-1.0	-54.03	310.12	4.28	-49.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC(OC)=C1Cl	REAL300010819970	0	34	-1.0	-52.88	309.26	2.21	-50.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C(NC(=O)CC)S1	REAL300010819971	0	40	-1.0	-53.74	354.92	4.14	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1	REAL300010819971	1	39	-2.0	-104.69	351.63	3.02	-101.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1NC(C)=O	REAL300010819972	0	38	-1.0	-56.23	332.94	3.15	-53.08
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010819973	0	35	-1.0	-41.70	339.37	7.34	-34.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010819974	0	36	-1.0	-53.85	331.31	7.15	-46.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010819975	0	30	-1.0	-55.79	294.87	3.97	-51.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010819976	0	42	-1.0	-54.98	350.38	5.59	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010819977	0	39	-1.0	-45.68	319.11	5.94	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300010819978	0	39	-1.0	-45.00	342.70	4.55	-40.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010819979	0	34	-1.0	-65.22	316.36	7.21	-58.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010819980	0	38	-1.0	-43.61	321.94	5.28	-38.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010819981	0	38	-1.0	-51.71	329.85	6.41	-45.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010819982	0	33	-1.0	-54.52	306.17	4.13	-50.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300010819983	0	40	-1.0	-49.77	333.74	4.89	-44.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010819984	0	38	-1.0	-43.71	335.76	7.39	-36.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010819985	0	33	-1.0	-51.21	302.36	4.18	-47.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=C1CCCN2	REAL300010819986	0	43	-1.0	-43.08	333.21	5.51	-37.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300010819987	0	45	-1.0	-45.30	384.70	8.75	-36.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010819988	0	38	-1.0	-44.91	337.42	7.43	-37.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010819989	0	28	-1.0	-53.39	277.85	4.50	-48.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010819990	0	35	-1.0	-56.88	322.54	5.53	-51.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(Br)C=C1C	REAL300010819991	0	33	-1.0	-41.55	299.31	4.30	-37.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010819992	0	36	-1.0	-60.68	314.50	5.66	-55.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(I)=CC=C1C	REAL300010819993	0	34	-1.0	-51.64	311.14	6.69	-44.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CC(=O)OC	REAL300010819994	0	40	-1.0	-59.47	339.00	6.62	-52.85
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010819995	0	42	-1.0	-54.94	355.36	9.04	-45.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010819996	0	34	-1.0	-56.09	309.67	6.01	-50.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010819997	0	30	-1.0	-48.93	291.34	3.96	-44.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010819998	0	33	-1.0	-46.98	299.71	4.68	-42.30
CCCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300010819999	0	34	-1.0	-50.71	304.42	4.75	-45.96
CCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010820000	0	39	-1.0	-44.66	333.61	0.98	-43.68
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300010820610	0	39	-1.0	-50.18	297.99	5.16	-45.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010820611	0	39	-1.0	-54.87	324.00	6.25	-48.62
COC(=O)C1CCCCC1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820612	0	44	-1.0	-58.37	323.15	6.88	-51.49
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820613	0	47	-1.0	-58.51	357.59	6.82	-51.69
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820614	0	40	-1.0	-55.75	330.68	7.62	-48.13
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820615	0	39	-1.0	-66.52	316.29	4.65	-61.87
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820616	0	40	-1.0	-46.44	307.89	6.94	-39.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010820617	0	37	-1.0	-53.46	318.67	5.79	-47.67
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010820618	0	32	-1.0	-50.29	287.43	6.81	-43.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010820619	0	34	-1.0	-65.40	276.30	6.78	-58.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010820620	0	29	-1.0	-54.81	266.30	5.02	-49.79
N#CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010820621	0	42	-1.0	-50.47	317.91	6.56	-43.91
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010820622	0	44	-1.0	-51.94	312.72	7.15	-44.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010820623	0	34	-1.0	-63.24	289.16	6.37	-56.87
COC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820624	0	36	-1.0	-54.30	311.46	5.61	-48.69
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010820625	0	42	-1.0	-66.05	343.19	6.66	-59.39
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010820626	0	45	-1.0	-62.51	374.46	6.78	-55.73
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300010820627	0	39	-1.0	-54.83	321.94	3.37	-51.46
CCC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820628	0	34	-1.0	-48.85	290.26	4.29	-44.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010820629	0	44	-1.0	-54.63	345.26	7.15	-47.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010820630	0	32	-1.0	-57.12	273.79	6.04	-51.08
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Cl)=N1	REAL300010820631	0	34	-1.0	-48.83	279.88	4.37	-44.46
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820632	0	37	-1.0	-52.67	312.38	5.87	-46.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010820633	0	39	-1.0	-53.51	320.43	7.24	-46.27
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820634	0	36	-1.0	-49.61	316.15	7.16	-42.45
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820635	0	34	-1.0	-43.99	299.52	6.09	-37.90
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820636	0	42	-1.0	-59.13	346.18	2.26	-56.87
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1Cl	REAL300010820637	0	35	-1.0	-45.53	301.02	3.64	-41.89
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820638	0	37	-1.0	-59.89	300.86	6.12	-53.77
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820639	0	41	-1.0	-61.92	336.56	6.63	-55.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010820640	0	47	-1.0	-60.17	374.40	6.12	-54.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010820641	0	31	-1.0	-43.05	282.18	5.53	-37.52
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820642	0	50	0.0	-73.33	376.62	7.01	-66.32
CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820643	0	41	-1.0	-54.70	329.51	7.85	-46.85
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820644	0	38	-1.0	-56.83	313.40	7.15	-49.68
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820645	0	35	-1.0	-51.74	285.05	6.48	-45.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010820646	0	36	-1.0	-55.93	297.47	5.43	-50.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010820647	0	32	-1.0	-46.91	283.76	6.09	-40.82
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820648	0	40	-1.0	-61.09	313.09	6.05	-55.04
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300010820649	0	59	-1.0	-53.07	447.65	10.39	-42.68
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010820650	0	41	-1.0	-56.83	320.26	6.83	-50.00
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820651	0	35	-1.0	-64.65	276.03	6.70	-57.95
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820652	0	46	-1.0	-57.90	377.28	6.64	-51.26
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820653	0	33	-1.0	-52.10	283.85	6.00	-46.10
CC1=NC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300010820654	0	34	-1.0	-59.93	293.21	4.09	-55.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010820655	0	35	-1.0	-60.07	304.89	4.70	-55.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010820656	0	38	-1.0	-53.92	326.87	8.59	-45.33
COC(=O)CCCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820657	0	43	-1.0	-56.39	346.73	6.56	-49.83
CN1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300010820658	0	37	-1.0	-49.93	304.05	4.82	-45.11
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820659	0	40	-1.0	-62.15	327.63	3.96	-58.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010820661	0	35	-1.0	-47.36	316.46	7.20	-40.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820662	0	43	-1.0	-53.51	332.99	3.99	-49.52
COC1=C(F)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820663	0	38	-1.0	-46.46	325.82	6.60	-39.86
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820664	0	42	-1.0	-48.37	351.22	5.02	-43.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010820665	0	43	-1.0	-53.50	359.91	7.51	-45.99
COC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820666	0	42	-1.0	-52.74	337.69	6.51	-46.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010820667	0	35	-1.0	-50.58	300.07	4.50	-46.08
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010820668	0	43	-1.0	-53.91	344.01	7.03	-46.88
CC1=CC=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010820669	0	40	-1.0	-60.88	313.47	7.13	-53.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010820670	0	35	-1.0	-55.33	294.70	6.63	-48.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010820671	0	35	-1.0	-45.69	301.21	6.47	-39.22
CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820672	0	35	-1.0	-54.56	303.38	6.95	-47.61
CSC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820673	0	36	-1.0	-58.26	294.27	6.39	-51.87
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820674	0	43	-1.0	-74.50	342.87	5.11	-69.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010820675	0	44	-1.0	-64.02	351.00	5.00	-59.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010820676	0	40	-1.0	-53.50	329.23	6.96	-46.54
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820677	0	42	-1.0	-48.37	351.22	5.02	-43.35
CN(C)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820678	0	40	-1.0	-56.10	309.01	6.02	-50.08
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010820679	0	35	-1.0	-47.80	309.23	6.98	-40.82
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(OC)=C1	REAL300010820680	0	42	-1.0	-54.32	346.33	6.13	-48.19
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=CS1	REAL300010820681	0	38	-1.0	-50.41	306.70	6.05	-44.36
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300010820682	0	36	-1.0	-50.75	295.61	5.04	-45.71
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820683	0	43	-1.0	-61.77	351.97	5.86	-55.91
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820684	0	46	-1.0	-55.61	379.14	6.62	-48.99
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820685	0	41	-1.0	-53.45	313.23	7.32	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010820686	0	46	-1.0	-56.65	367.27	8.85	-47.80
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820687	0	40	-1.0	-57.98	331.46	7.50	-50.48
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820688	0	44	0.0	-76.64	338.01	7.62	-69.02
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820689	0	40	-1.0	-57.30	311.56	6.14	-51.16
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300010820690	0	47	-1.0	-51.41	384.61	8.37	-43.04
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010820691	0	35	-1.0	-52.77	298.35	6.29	-46.48
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820692	0	44	-1.0	-62.06	353.30	7.79	-54.27
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010820693	0	32	-1.0	-43.61	293.87	6.46	-37.15
CC1=C(Cl)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820694	0	32	-1.0	-48.17	289.22	5.88	-42.29
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010820695	0	38	-1.0	-54.17	306.18	6.12	-48.05
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820696	0	36	-1.0	-51.33	291.94	4.77	-46.56
CC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010820697	0	40	-1.0	-77.37	323.65	8.62	-68.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010820698	0	38	-1.0	-55.38	320.64	7.50	-47.88
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010820699	0	42	-1.0	-50.24	341.74	8.28	-41.96
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820700	0	35	-1.0	-50.49	292.71	6.24	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010820701	0	37	-1.0	-54.75	303.52	6.14	-48.61
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820702	0	38	-1.0	-53.20	313.35	7.11	-46.09
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820703	0	40	-1.0	-63.20	307.76	6.97	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010820704	0	32	-1.0	-47.23	280.24	6.16	-41.07
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010820705	0	42	-1.0	-50.24	341.74	8.28	-41.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010820706	0	31	-1.0	-46.58	278.47	4.36	-42.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010820707	0	32	-1.0	-51.50	297.07	6.76	-44.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010820708	0	43	-1.0	-48.12	354.30	5.42	-42.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010820709	0	32	-1.0	-55.44	281.75	6.25	-49.19
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820710	0	42	-1.0	-53.68	315.11	6.48	-47.20
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820711	0	35	-1.0	-53.48	287.90	2.34	-51.14
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C#N	REAL300010820712	0	36	-1.0	-50.08	300.88	6.59	-43.49
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820713	0	38	-1.0	-48.06	320.24	6.37	-41.69
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820714	0	36	-1.0	-58.60	308.01	6.00	-52.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010820715	0	33	-1.0	-57.35	288.48	4.49	-52.86
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010820716	0	45	-1.0	-53.57	351.68	9.00	-44.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300010820717	0	43	-1.0	-60.72	344.74	6.42	-54.30
O=C([O-])C1CCCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010820718	0	49	-1.0	-65.35	362.20	11.80	-53.55
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010820719	0	46	-1.0	-55.78	346.35	7.22	-48.56
COC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820720	0	39	-1.0	-57.80	306.22	5.51	-52.29
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820721	0	37	-1.0	-51.04	310.66	4.51	-46.53
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010820722	0	33	-1.0	-51.22	301.41	6.58	-44.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010820723	0	34	-1.0	-50.36	303.79	6.67	-43.69
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820724	0	39	-1.0	-55.95	311.12	5.42	-50.53
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820725	0	38	-1.0	-46.00	331.82	6.49	-39.51
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820726	0	39	-1.0	-58.08	309.11	5.52	-52.56
COC1=CC(Cl)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010820727	0	40	-1.0	-50.05	332.08	5.18	-44.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010820728	0	36	-1.0	-52.26	306.42	5.33	-46.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010820729	0	35	-1.0	-52.37	304.98	6.75	-45.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820730	0	43	-1.0	-58.79	351.54	2.76	-56.03
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2S1	REAL300010820731	0	44	-1.0	-57.16	375.22	8.72	-48.44
N#CCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820732	0	36	-1.0	-61.08	302.78	6.86	-54.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010820733	0	38	-1.0	-56.39	314.96	4.88	-51.51
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820734	0	37	-1.0	-63.36	317.51	1.26	-62.10
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820735	0	38	-1.0	-49.65	317.15	6.13	-43.52
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820736	0	40	-1.0	-66.92	334.92	7.21	-59.71
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(Br)=C1	REAL300010820737	0	36	-1.0	-50.67	294.65	4.98	-45.69
CC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCO2	REAL300010820738	0	38	-1.0	-60.14	296.82	4.89	-55.25
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820739	0	38	-1.0	-46.62	304.48	6.61	-40.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010820740	0	32	-1.0	-46.45	279.80	6.12	-40.33
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820741	0	38	-1.0	-55.68	299.53	7.50	-48.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010820742	0	32	-1.0	-51.15	290.45	6.53	-44.62
COC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCC(=O)N2	REAL300010820743	0	42	-1.0	-60.24	341.92	2.72	-57.52
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010820744	0	34	-1.0	-48.11	306.87	6.64	-41.47
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820745	0	30	-1.0	-47.80	275.02	5.30	-42.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010820746	0	34	-1.0	-43.19	303.02	6.53	-36.66
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010820747	0	32	-1.0	-53.04	292.04	7.14	-45.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010820748	0	33	-1.0	-52.24	283.62	3.95	-48.29
COC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820749	0	35	-1.0	-53.99	285.29	3.13	-50.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010820750	0	32	-1.0	-47.84	283.01	6.07	-41.77
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300010820751	0	42	-1.0	-54.64	341.89	6.39	-48.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010820752	0	32	-1.0	-46.19	281.91	6.20	-39.99
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010820753	0	35	-1.0	-55.01	303.36	6.92	-48.09
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820754	0	35	-1.0	-64.46	305.30	3.12	-61.34
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820754	1	34	-2.0	-107.60	301.92	2.08	-105.52
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010820755	0	35	-1.0	-54.90	307.92	7.02	-47.88
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820756	0	36	-1.0	-63.82	311.94	2.97	-60.85
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820757	0	41	-1.0	-52.39	314.53	6.92	-45.47
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820758	0	40	-1.0	-63.44	318.66	3.35	-60.09
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820759	0	36	-1.0	-63.71	316.48	3.09	-60.62
CCOC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820760	0	39	-1.0	-61.40	312.28	5.91	-55.49
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300010820761	0	43	-1.0	-60.20	342.32	6.97	-53.23
N#CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010820762	0	36	-1.0	-53.06	317.34	6.84	-46.22
COCCN(CCC#N)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820763	0	41	-1.0	-55.81	321.83	3.97	-51.84
CC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820764	0	41	-1.0	-53.18	329.59	7.88	-45.30
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820765	0	39	-1.0	-51.49	326.02	6.07	-45.42
N#CC1CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300010820766	0	36	-1.0	-51.00	289.52	2.80	-48.20
CCN(CC(C)C#N)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820767	0	40	-1.0	-49.89	303.35	5.64	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010820768	0	35	-1.0	-53.44	285.63	4.20	-49.24
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820769	0	33	-1.0	-45.90	286.25	5.90	-40.00
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820770	0	33	-1.0	-50.13	298.04	6.35	-43.78
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820771	0	38	-1.0	-50.59	302.54	6.83	-43.76
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010820772	0	38	-1.0	-61.52	321.46	6.96	-54.56
COCCOCCOCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820773	0	46	-1.0	-54.07	371.35	3.02	-51.05
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820774	0	42	-1.0	-71.71	351.97	3.00	-68.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010820775	0	32	-1.0	-59.23	277.49	6.25	-52.98
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2CC1	REAL300010820776	0	49	-1.0	-59.55	373.71	7.67	-51.88
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010820777	0	41	-1.0	-46.86	345.84	7.16	-39.70
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010820778	0	42	-1.0	-57.47	352.97	7.10	-50.37
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820779	0	41	-1.0	-54.25	336.37	8.15	-46.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820780	0	41	-1.0	-54.73	332.20	7.87	-46.86
CN(C(=O)N1CCCCC1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010820781	0	39	-1.0	-69.70	299.45	3.97	-65.73
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820782	0	42	-1.0	-54.09	343.10	4.69	-49.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010820783	0	32	-1.0	-52.98	285.77	6.30	-46.68
O=C([O-])C1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010820784	0	45	-1.0	-54.23	363.70	7.26	-46.97
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010820785	0	41	-1.0	-45.95	355.83	7.37	-38.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010820786	0	34	-1.0	-60.57	310.71	7.61	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010820787	0	41	-1.0	-64.29	324.27	2.88	-61.41
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820788	0	40	-1.0	-48.65	313.45	6.44	-42.21
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300010820789	0	43	-1.0	-62.43	354.61	5.25	-57.18
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1C	REAL300010820790	0	44	-1.0	-49.98	359.39	7.53	-42.45
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820791	0	46	-1.0	-56.82	372.03	3.90	-52.92
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820792	0	43	-1.0	-61.82	346.36	5.21	-56.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820793	0	45	-1.0	-68.69	367.81	7.07	-61.62
CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C	REAL300010820794	0	44	-1.0	-57.33	353.38	7.83	-49.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010820795	0	35	-1.0	-55.63	296.66	7.00	-48.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820796	0	44	-1.0	-60.64	359.32	8.06	-52.58
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820797	0	38	-1.0	-60.72	331.92	8.22	-52.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010820798	0	35	-1.0	-52.27	301.74	7.24	-45.03
CC(COC1CCCC1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820799	0	48	-1.0	-53.15	363.68	7.04	-46.11
CC1=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300010820800	0	37	-1.0	-51.55	312.10	4.94	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010820801	0	38	-1.0	-50.00	324.85	7.70	-42.30
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820802	0	41	-1.0	-62.00	345.62	7.36	-54.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010820803	0	42	-1.0	-55.59	335.12	9.11	-46.48
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820804	0	46	-1.0	-56.23	378.80	3.49	-52.74
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010820805	0	35	-1.0	-52.75	303.35	6.95	-45.80
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300010820806	0	44	-1.0	-62.12	362.19	6.88	-55.24
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010820807	0	38	-1.0	-65.18	331.18	3.63	-61.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010820808	0	36	-1.0	-58.82	306.96	6.83	-51.99
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010820809	0	35	-1.0	-51.25	293.82	6.64	-44.61
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820810	0	34	-1.0	-50.26	285.85	4.80	-45.46
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(Br)N1C	REAL300010820811	0	35	-1.0	-65.49	304.88	5.63	-59.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010820812	0	33	-1.0	-44.91	284.10	4.52	-40.39
COC(=O)C(C)(C)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820813	0	40	-1.0	-51.40	311.85	5.57	-45.83
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820814	0	45	-1.0	-57.29	354.74	6.58	-50.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010820815	0	35	-2.0	-108.88	307.95	5.23	-103.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010820815	1	36	-1.0	-56.76	307.84	4.40	-52.36
CCOC(=O)CC1(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820816	0	41	-1.0	-56.76	321.73	7.04	-49.72
N#CC1=CC(F)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300010820817	0	33	-1.0	-41.81	307.15	6.29	-35.52
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820818	0	43	-1.0	-58.14	354.23	5.00	-53.14
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010820819	0	47	-1.0	-57.91	373.58	8.54	-49.37
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820820	0	44	-1.0	-58.73	363.31	4.93	-53.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010820821	0	37	-1.0	-50.51	307.32	2.90	-47.61
COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCC1	REAL300010820822	0	44	-1.0	-61.34	331.61	7.08	-54.26
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010820823	0	31	-1.0	-45.83	292.04	4.87	-40.96
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820824	0	39	-1.0	-55.09	332.75	5.92	-49.17
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010820825	0	38	-1.0	-50.24	315.37	7.20	-43.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010820826	0	43	-1.0	-52.26	365.25	9.10	-43.16
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820827	0	41	-1.0	-61.02	337.46	7.14	-53.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010820828	0	34	-1.0	-57.22	289.16	5.20	-52.02
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010820829	0	42	-1.0	-54.27	311.66	7.08	-47.19
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010820830	0	38	-1.0	-53.16	322.80	7.59	-45.57
COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCC1	REAL300010820831	0	41	-1.0	-59.10	325.15	6.09	-53.01
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010820832	0	32	-1.0	-46.30	292.83	5.86	-40.44
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820833	0	36	-1.0	-58.60	304.31	6.59	-52.01
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820834	0	45	-1.0	-64.83	370.80	6.06	-58.77
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820835	0	48	-1.0	-64.86	392.66	6.99	-57.87
COC(=O)C1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300010820836	0	47	-1.0	-61.34	337.58	7.72	-53.62
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C	REAL300010820837	0	40	-1.0	-50.57	326.97	5.06	-45.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010820838	0	36	-1.0	-46.12	308.38	5.29	-40.83
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820839	0	41	-1.0	-57.96	354.06	7.77	-50.19
N#CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820840	0	33	-1.0	-53.14	287.63	6.13	-47.01
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCOCC1	REAL300010820841	0	42	-1.0	-53.15	320.10	4.98	-48.17
O=C([O-])C1CCCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010820842	0	48	-1.0	-60.81	395.96	7.57	-53.24
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300010820843	0	35	-1.0	-52.16	292.64	6.07	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010820844	0	34	-1.0	-42.36	298.77	4.84	-37.52
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010820845	0	45	-1.0	-53.78	320.35	7.68	-46.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010820846	0	41	-1.0	-53.77	327.07	7.37	-46.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010820847	0	33	-1.0	-44.87	297.32	5.05	-39.82
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010820848	0	38	-1.0	-56.75	320.80	7.35	-49.40
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010820849	0	35	-1.0	-46.29	296.99	4.24	-42.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010820850	0	34	-1.0	-53.19	299.21	7.39	-45.80
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1C	REAL300010820851	0	41	-1.0	-49.47	337.53	6.60	-42.87
CC1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2N=C1Cl	REAL300010820852	0	40	-1.0	-56.56	336.16	7.09	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010820853	0	41	-1.0	-51.63	315.17	6.85	-44.78
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010820854	0	42	-1.0	-52.67	342.21	6.48	-46.19
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)C)=C1	REAL300010820855	0	59	-1.0	-60.97	427.52	11.85	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010820856	0	37	-1.0	-56.36	310.08	7.02	-49.34
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820857	0	44	-1.0	-52.19	363.30	8.00	-44.19
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820858	0	37	-1.0	-64.85	299.38	5.03	-59.82
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820859	0	39	-1.0	-52.71	329.23	6.00	-46.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010820860	0	39	-1.0	-55.00	308.95	7.82	-47.18
COC1=CC=C2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300010820861	0	44	-1.0	-55.26	346.80	7.29	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010820862	0	40	-1.0	-53.20	320.13	6.64	-46.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010820863	0	35	-1.0	-51.14	296.43	6.14	-45.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010820864	0	35	-1.0	-56.14	312.88	7.39	-48.75
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010820865	0	35	-1.0	-47.80	313.64	7.08	-40.72
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820866	0	41	-1.0	-67.87	347.32	3.92	-63.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010820867	0	35	-1.0	-57.06	287.61	5.87	-51.19
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300010820868	0	44	-1.0	-52.08	328.91	7.37	-44.71
CC1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300010820869	0	41	-1.0	-57.54	326.96	8.64	-48.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010820870	0	29	-1.0	-48.94	263.84	5.28	-43.66
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820871	0	41	-1.0	-58.36	332.22	6.92	-51.44
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010820872	0	47	-1.0	-64.63	381.24	6.27	-58.36
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820873	0	45	-1.0	-65.97	356.23	6.11	-59.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010820874	0	35	-1.0	-52.49	299.60	6.71	-45.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010820875	0	38	-1.0	-54.93	306.92	7.70	-47.23
CCC1=CC(CC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(CC)=C1	REAL300010820876	0	50	-1.0	-61.22	366.82	10.53	-50.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010820877	0	37	-1.0	-54.16	296.46	5.51	-48.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010820878	0	39	-1.0	-54.76	315.73	5.46	-49.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010820879	0	34	-1.0	-59.59	308.76	5.59	-54.00
COC1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820880	0	40	-1.0	-58.57	329.48	5.27	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010820881	0	40	-1.0	-54.83	332.11	4.23	-50.60
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820882	0	37	-1.0	-55.40	315.13	0.65	-54.75
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])S(C)(=O)=O	REAL300010820883	0	43	-1.0	-71.15	336.18	2.81	-68.34
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010820884	0	36	-1.0	-50.46	305.42	5.52	-44.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010820885	0	35	-1.0	-54.19	301.03	3.29	-50.90
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820886	0	45	-1.0	-57.10	354.71	6.52	-50.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010820887	0	37	-1.0	-58.02	293.99	5.41	-52.61
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010820888	0	41	-1.0	-58.36	335.47	8.83	-49.53
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010820889	0	36	-1.0	-56.12	300.19	5.73	-50.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010820890	0	36	-1.0	-54.78	310.55	6.18	-48.60
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820891	0	41	-1.0	-63.58	343.34	7.18	-56.40
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820892	0	45	-1.0	-53.34	352.24	7.09	-46.25
COC(CC(C)C)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820893	0	44	-1.0	-52.18	336.48	5.55	-46.63
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820894	0	36	-1.0	-60.39	297.68	5.55	-54.84
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010820895	0	35	-1.0	-50.14	315.60	7.29	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)CCCC1CCOC1	REAL300010820896	0	42	-1.0	-54.43	323.73	4.99	-49.44
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010820897	0	35	-1.0	-47.85	313.28	7.28	-40.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010820898	0	35	-1.0	-53.87	300.25	4.77	-49.10
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010820899	0	40	-1.0	-63.30	321.89	7.35	-55.95
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820900	0	48	-1.0	-61.57	367.43	7.78	-53.79
N#CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820901	0	39	-1.0	-58.75	328.87	7.58	-51.17
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820902	0	35	-1.0	-50.06	303.97	2.92	-47.14
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300010820903	0	41	-1.0	-49.24	339.01	7.06	-42.18
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820904	0	41	-1.0	-56.26	354.50	7.35	-48.91
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010820905	0	35	-1.0	-51.25	303.35	6.93	-44.32
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300010820906	0	35	-1.0	-51.51	296.39	6.79	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010820907	0	38	-1.0	-71.18	309.04	6.66	-64.52
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=N1	REAL300010820908	0	41	-1.0	-53.12	345.85	7.18	-45.94
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010820909	0	38	-1.0	-48.25	331.93	6.59	-41.66
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820910	0	41	-1.0	-60.30	337.32	6.76	-53.54
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820911	0	39	-1.0	-53.12	310.98	5.93	-47.19
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820912	0	38	-1.0	-51.66	316.38	7.41	-44.25
O=C([O-])C1CCCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010820913	0	45	-1.0	-51.65	341.60	5.76	-45.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010820914	0	47	-1.0	-54.76	375.33	3.46	-51.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010820915	0	40	-1.0	-59.03	304.49	6.68	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010820916	0	39	-1.0	-59.43	325.81	3.55	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010820917	0	32	-1.0	-45.92	283.54	6.26	-39.66
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC(Br)=C1	REAL300010820918	0	32	-1.0	-50.03	291.09	5.83	-44.20
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010820919	0	41	-1.0	-53.94	316.84	5.84	-48.10
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820920	0	42	-1.0	-49.55	327.13	4.09	-45.46
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010820921	0	38	-1.0	-50.77	314.59	7.27	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010820922	0	38	-1.0	-58.78	313.69	7.23	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010820923	0	38	-1.0	-54.29	320.81	7.57	-46.72
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820924	0	36	-1.0	-52.58	310.97	6.07	-46.51
COC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])C(=O)NCCC2	REAL300010820925	0	47	-1.0	-70.92	359.97	4.48	-66.44
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)C1	REAL300010820926	0	43	-1.0	-56.97	350.56	6.17	-50.80
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010820927	0	39	-1.0	-53.41	335.24	7.93	-45.48
COC1CCN(S(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820928	0	41	-1.0	-52.58	310.37	3.84	-48.74
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCOC1	REAL300010820929	0	43	-1.0	-55.16	324.73	3.83	-51.33
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010820930	0	35	-1.0	-47.67	302.93	6.84	-40.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010820931	0	35	-1.0	-49.23	300.71	6.75	-42.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010820932	0	32	-1.0	-48.81	298.70	6.81	-42.00
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820933	0	39	-1.0	-71.41	316.59	3.14	-68.27
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820934	0	57	-1.0	-54.28	439.97	10.64	-43.64
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300010820935	0	47	-1.0	-62.04	369.50	8.06	-53.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010820936	0	32	-1.0	-53.05	287.95	6.35	-46.70
COC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300010820937	0	38	-1.0	-48.06	320.24	6.37	-41.69
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010820938	0	46	-1.0	-60.11	368.83	8.75	-51.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010820939	0	46	-1.0	-59.65	378.43	9.04	-50.61
O=C([O-])C1CCCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010820940	0	31	-1.0	-59.97	273.82	5.12	-54.85
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2)=N1	REAL300010820941	0	44	-1.0	-62.06	341.45	4.90	-57.16
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010820942	0	42	-1.0	-53.70	333.19	6.92	-46.78
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010820943	0	44	-1.0	-56.50	345.08	7.13	-49.37
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N(C)N=C1	REAL300010820944	0	38	-1.0	-55.26	308.87	4.78	-50.48
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300010820945	0	40	-1.0	-52.14	341.70	4.55	-47.59
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300010820946	0	44	-1.0	-57.56	343.08	7.85	-49.71
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300010820947	0	43	-1.0	-62.83	345.00	4.80	-58.03
CCOC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300010820948	0	42	-1.0	-52.34	325.60	6.08	-46.26
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1F	REAL300010820949	0	38	-1.0	-48.78	321.61	6.16	-42.62
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C(Cl)C=C21	REAL300010820950	0	43	-1.0	-57.79	350.88	6.97	-50.82
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820951	0	45	-1.0	-53.32	350.78	7.37	-45.95
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCC1	REAL300010820952	0	45	-1.0	-52.14	336.59	5.93	-46.21
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300010820953	0	48	-1.0	-53.81	348.85	6.97	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010820954	0	35	-1.0	-54.24	299.90	5.09	-49.15
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300010820955	0	51	-1.0	-53.79	392.39	8.74	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010820956	0	35	-1.0	-70.06	313.18	5.61	-64.45
COC1=CC(F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820957	0	36	-1.0	-53.58	298.08	5.55	-48.03
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010820958	0	40	-1.0	-44.71	325.07	7.78	-36.93
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820959	0	39	-1.0	-54.43	307.22	5.66	-48.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010820960	0	45	-1.0	-52.19	358.24	7.79	-44.40
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])O1	REAL300010820961	0	38	-1.0	-57.13	319.37	5.69	-51.44
CCC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1CC1CC1	REAL300010820962	0	45	-1.0	-66.55	360.40	8.27	-58.28
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C1	REAL300010820963	0	43	-1.0	-56.40	343.19	6.18	-50.22
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820964	0	35	-1.0	-48.52	299.26	4.01	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010820965	0	43	-1.0	-53.44	361.13	9.80	-43.64
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820966	0	35	-1.0	-51.98	292.71	6.24	-45.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010820967	0	42	-1.0	-62.46	325.30	8.89	-53.57
CC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820968	0	38	-1.0	-51.88	317.86	7.42	-44.46
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820969	0	39	-1.0	-54.29	324.68	6.14	-48.15
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010820970	0	38	-1.0	-57.18	318.74	7.24	-49.94
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1F	REAL300010820971	0	35	-1.0	-49.65	295.60	6.49	-43.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010820972	0	31	-1.0	-45.14	286.07	4.40	-40.74
CC(C)OC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300010820973	0	41	-1.0	-53.54	325.75	4.70	-48.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010820974	0	38	-1.0	-57.92	322.60	4.05	-53.87
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010820975	0	39	-1.0	-53.12	336.49	4.99	-48.13
COC(=O)C1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC=C1	REAL300010820976	0	35	-1.0	-58.85	295.23	5.69	-53.16
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)C=C1OC	REAL300010820977	0	45	-1.0	-57.11	334.64	6.60	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010820978	0	38	-1.0	-49.27	330.86	7.59	-41.68
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820979	0	40	-1.0	-58.48	330.34	7.02	-51.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300010820980	0	34	-1.0	-61.40	289.85	4.97	-56.43
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820981	0	35	-1.0	-50.59	301.85	6.65	-43.94
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010820982	0	41	-1.0	-62.75	314.52	8.84	-53.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010820983	0	39	-1.0	-48.53	312.48	5.19	-43.34
N#CCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820984	0	36	-1.0	-53.81	291.42	6.74	-47.07
CC1=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2NC1=O	REAL300010820985	0	41	-1.0	-54.16	331.52	5.45	-48.71
CN1N=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300010820986	0	37	-1.0	-50.16	304.44	4.12	-46.04
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010820987	0	41	-1.0	-64.43	345.83	7.48	-56.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010820988	0	32	-1.0	-44.85	262.11	2.66	-42.19
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010820989	0	37	-1.0	-40.79	311.01	6.57	-34.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010820990	0	38	-1.0	-55.38	316.18	6.70	-48.68
O=C([O-])C1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010820991	0	44	0.0	-62.17	331.39	6.61	-55.56
C[NH+]1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820992	0	49	0.0	-71.31	364.69	4.93	-66.38
CN1CCN(CCCS(=O)(=O)N2CCCCC2C(=O)[O-])CC1	REAL300010820992	1	48	-1.0	-52.20	361.81	2.56	-49.64
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1Br	REAL300010820993	0	32	-1.0	-53.33	285.31	3.68	-49.65
CN1N=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1I	REAL300010820994	0	32	-1.0	-53.63	288.98	4.00	-49.63
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820995	0	36	-1.0	-64.12	298.00	7.15	-56.97
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300010820996	0	41	-1.0	-53.76	330.14	4.21	-49.55
CCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=N1	REAL300010820997	0	44	-1.0	-51.16	349.77	6.25	-44.91
COC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(OC)C=C1F	REAL300010820998	0	42	-1.0	-55.52	343.14	6.09	-49.43
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010820999	0	42	-1.0	-65.27	332.82	6.13	-59.14
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300010821000	0	36	-1.0	-49.94	287.92	5.59	-44.35
COC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(C)=C1F	REAL300010821947	0	36	-1.0	-46.36	312.82	0.65	-45.71
CC(O)(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010821948	0	36	-1.0	-51.37	328.02	0.96	-50.41
COC(=O)C1CCCCC1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821949	0	41	-1.0	-50.53	333.41	2.03	-48.50
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821950	0	44	-1.0	-48.25	356.61	1.46	-46.79
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821951	0	37	-1.0	-46.25	336.10	2.61	-43.64
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821952	0	36	-1.0	-50.68	319.96	-0.70	-51.38
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821953	0	37	-1.0	-45.13	322.84	2.49	-42.64
CC(O)(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010821954	0	34	-1.0	-46.12	314.76	0.91	-45.21
CC(O)(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010821955	0	29	-1.0	-43.87	291.41	1.52	-42.35
CC(O)(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010821956	0	31	-1.0	-51.79	281.21	1.93	-49.86
CC(O)(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010821957	0	26	-1.0	-46.40	268.22	-0.83	-47.23
CC(O)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010821957	1	25	-2.0	-105.49	267.28	-1.21	-106.70
CC(O)(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010821958	0	39	-1.0	-50.70	318.85	1.33	-49.37
CC(O)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821959	0	31	-1.0	-45.85	291.87	1.09	-44.76
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300010821960	0	33	-1.0	-45.58	314.63	0.38	-45.20
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN1C	REAL300010821961	0	39	-1.0	-48.58	346.68	1.44	-47.14
CC(O)(CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010821962	0	42	-1.0	-55.34	375.24	1.51	-53.83
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C12	REAL300010821963	0	36	-1.0	-49.11	325.07	-1.84	-50.95
CC(O)(CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010821964	0	41	-1.0	-48.26	348.03	1.85	-46.41
CC(O)(CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010821965	0	29	-1.0	-48.39	278.54	1.19	-47.20
CC(O)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010821965	1	28	-2.0	-116.93	278.95	0.88	-116.05
CC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C(Cl)=N1	REAL300010821966	0	31	-1.0	-50.39	282.32	-0.75	-51.14
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821967	0	34	-1.0	-46.50	305.09	0.67	-45.83
CC(O)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010821968	0	36	-1.0	-47.52	320.90	2.10	-45.42
CSC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1Cl	REAL300010821969	0	33	-1.0	-44.64	318.85	1.89	-42.75
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])S1	REAL300010821970	0	31	-1.0	-44.28	303.12	0.83	-43.45
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821971	0	39	-1.0	-55.10	347.15	-2.99	-58.09
COC1=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN=C1Cl	REAL300010821972	0	32	-1.0	-43.80	304.47	-1.62	-45.42
CC(=O)C1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821973	0	34	-1.0	-46.97	304.11	0.81	-46.16
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CC=C21	REAL300010821974	0	38	-1.0	-52.35	339.77	1.42	-50.93
CC(O)(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010821975	0	44	-1.0	-50.33	377.40	0.85	-49.48
CC(O)(CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010821976	0	28	-1.0	-44.22	284.82	0.17	-44.05
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821977	0	47	0.0	-75.90	380.30	1.65	-74.25
CCC1=CC=C(CS(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821978	0	38	-1.0	-47.58	330.28	2.57	-45.01
CC1=CC=C(CS(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1F	REAL300010821979	0	35	-1.0	-47.45	314.12	1.84	-45.61
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821980	0	32	-1.0	-44.22	299.85	1.95	-42.27
CC(O)(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300010821981	0	33	-1.0	-51.95	302.12	0.47	-51.48
CC(O)(CNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010821982	0	29	-1.0	-46.72	283.41	0.84	-45.88
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821983	0	37	-1.0	-52.10	317.82	0.97	-51.13
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)(O)C(=O)[O-])=C1C	REAL300010821984	0	56	-1.0	-47.78	451.16	5.06	-42.72
CC(O)(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010821985	0	38	-1.0	-47.10	325.88	1.88	-45.22
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821986	0	43	-1.0	-50.39	377.91	1.55	-48.84
CC(O)(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010821987	0	30	-1.0	-46.39	286.09	0.86	-45.53
CC(O)(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010821988	0	32	-1.0	-49.16	307.79	-0.49	-49.65
CC(O)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010821989	0	44	-1.0	-60.67	370.10	1.56	-59.11
CC(O)(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010821990	0	35	-1.0	-45.91	330.84	3.30	-42.61
COC(=O)CCCCCS(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821991	0	40	-1.0	-51.38	347.44	1.27	-50.11
CN1N=CC2=CC(S(=O)(=O)NCC(C)(O)C(=O)[O-])=CN=C21	REAL300010821992	0	34	-1.0	-47.14	308.19	-0.42	-47.56
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300010821993	0	37	-1.0	-48.24	330.81	-1.37	-49.61
CC(O)(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010821995	0	32	-1.0	-42.77	319.31	1.96	-40.81
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821996	0	40	-1.0	-51.95	325.55	-1.50	-53.45
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(O)C(=O)[O-]	REAL300010821997	0	34	-1.0	-48.16	322.71	2.43	-45.73
COC1=C(F)C=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821998	0	35	-1.0	-44.24	327.31	1.29	-42.95
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(O)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010821999	0	39	-1.0	-48.66	354.34	-0.23	-48.89
CC(O)(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010822000	0	40	-1.0	-52.47	362.55	2.23	-50.24
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1F	REAL300010823236	0	38	-1.0	-48.04	319.61	3.77	-44.27
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010823237	0	38	-1.0	-50.43	335.32	4.06	-46.37
COC(=O)C1CCCCC1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823238	0	43	-1.0	-53.42	340.76	5.09	-48.33
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823239	0	46	-1.0	-50.70	363.75	4.53	-46.17
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823240	0	39	-1.0	-47.08	343.22	5.69	-41.39
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823241	0	38	-1.0	-51.95	326.74	2.41	-49.54
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823242	0	39	-1.0	-46.64	330.00	5.57	-41.07
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010823243	0	36	-1.0	-47.56	322.10	4.01	-43.55
CC(C)(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010823244	0	31	-1.0	-45.48	298.16	4.62	-40.86
CC(C)(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823245	0	33	-1.0	-51.89	287.80	5.03	-46.86
CC(C)(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823246	0	28	-1.0	-48.78	274.78	2.26	-46.52
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823246	1	27	-2.0	-107.76	275.15	1.92	-105.84
CC(C)(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010823247	0	41	-1.0	-50.41	325.99	4.41	-46.00
CC(C)(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823248	0	33	-1.0	-46.65	298.62	4.20	-42.45
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823249	0	35	-1.0	-47.47	321.78	3.44	-44.03
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN1C	REAL300010823250	0	41	-1.0	-49.46	353.44	4.56	-44.90
CC(C)(CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010823251	0	44	-1.0	-56.46	382.00	4.62	-51.84
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C12	REAL300010823252	0	38	-1.0	-51.64	332.21	1.23	-50.41
CC(C)(CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010823253	0	43	-1.0	-49.75	354.78	4.96	-44.79
CC(C)(CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010823254	0	31	-1.0	-49.52	285.10	4.27	-45.25
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010823254	1	30	-2.0	-119.80	287.41	4.00	-115.80
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(Cl)=N1	REAL300010823255	0	33	-1.0	-51.99	289.46	2.32	-49.67
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823256	0	36	-1.0	-47.21	312.23	3.74	-43.47
CC(C)(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010823257	0	38	-1.0	-48.88	327.66	5.22	-43.66
CSC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823258	0	35	-1.0	-45.91	326.19	4.99	-40.92
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823259	0	33	-1.0	-45.33	309.69	3.90	-41.43
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823260	0	41	-1.0	-55.88	354.92	0.04	-55.84
COC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300010823261	0	34	-1.0	-45.23	311.81	1.48	-43.75
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823262	0	40	-1.0	-54.85	346.33	4.49	-50.36
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010823263	0	46	-1.0	-52.56	384.15	3.96	-48.60
CC(C)(CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823264	0	30	-1.0	-45.15	291.57	3.27	-41.88
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823265	0	49	0.0	-77.99	386.85	4.72	-73.27
CC1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823266	0	37	-1.0	-48.21	320.87	4.96	-43.25
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823267	0	34	-1.0	-46.23	306.40	5.06	-41.17
CC(C)(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010823268	0	35	-1.0	-52.82	309.38	3.58	-49.24
CC(C)(CNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010823269	0	31	-1.0	-48.92	290.55	3.90	-45.02
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823270	0	39	-1.0	-53.52	324.97	4.03	-49.49
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1C	REAL300010823271	0	58	-1.0	-50.27	458.31	8.13	-42.14
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010823272	0	40	-1.0	-49.06	332.44	4.94	-44.12
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823273	0	45	-1.0	-48.98	378.32	4.46	-44.52
CC(C)(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010823274	0	32	-1.0	-47.08	293.43	3.97	-43.11
CC(C)(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010823275	0	34	-1.0	-50.50	314.35	2.59	-47.91
CC(C)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010823276	0	46	-1.0	-61.92	377.21	4.62	-57.30
CC(C)(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010823277	0	37	-1.0	-47.71	337.59	6.41	-41.30
COC(=O)CCCCCS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823278	0	42	-1.0	-52.35	354.78	4.37	-47.98
CN1N=CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C21	REAL300010823279	0	36	-1.0	-48.68	315.33	2.65	-46.03
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823280	0	39	-1.0	-49.49	337.56	1.74	-47.75
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010823282	0	34	-1.0	-44.29	325.86	5.04	-39.25
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823283	0	42	-1.0	-53.47	352.79	2.22	-51.25
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823284	0	36	-1.0	-50.52	329.53	5.55	-44.97
COC1=C(F)C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823285	0	37	-1.0	-45.82	333.87	4.35	-41.47
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823286	0	41	-1.0	-51.03	361.68	2.87	-48.16
CC(C)(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823287	0	42	-1.0	-53.11	369.89	5.34	-47.77
COC1=CC=C(CCS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823288	0	41	-1.0	-49.26	345.16	4.34	-44.92
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010823289	0	46	-1.0	-47.29	379.75	4.74	-42.55
CC(C)(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010823290	0	34	-1.0	-48.54	308.32	2.41	-46.13
CC(C)(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010823291	0	42	-1.0	-50.05	352.13	4.85	-45.20
CC1=CC=NC2=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010823292	0	39	-1.0	-55.67	321.18	5.17	-50.50
COC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010823293	0	39	-1.0	-46.21	340.78	3.32	-42.89
CC(C)(CNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010823294	0	34	-1.0	-47.83	303.16	4.39	-43.44
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010823295	0	34	-1.0	-48.82	307.40	4.28	-44.54
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823296	0	34	-1.0	-47.85	313.69	4.80	-43.05
CSC1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823297	0	35	-1.0	-48.30	295.25	3.68	-44.62
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Br	REAL300010823298	0	38	-1.0	-52.43	345.26	3.17	-49.26
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823299	0	42	-1.0	-60.47	351.21	3.51	-56.96
CC(C)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010823300	0	43	-1.0	-58.64	351.85	2.71	-55.93
CC(C)(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010823301	0	37	-1.0	-48.56	350.85	1.65	-46.91
CC(C)(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010823302	0	39	-1.0	-49.50	339.84	4.80	-44.70
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823303	0	41	-1.0	-51.03	361.68	2.87	-48.16
CN(C)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823304	0	39	-1.0	-48.79	322.51	3.92	-44.87
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010823305	0	34	-1.0	-49.22	317.33	4.80	-44.42
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010823306	0	41	-1.0	-49.46	345.61	4.00	-45.46
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=CS1	REAL300010823307	0	37	-1.0	-49.65	325.79	4.77	-44.88
COC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010823308	0	35	-1.0	-47.25	306.71	2.89	-44.36
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823309	0	42	-1.0	-53.14	360.76	3.61	-49.53
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823310	0	45	-1.0	-51.76	387.63	4.78	-46.98
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010823311	0	45	-1.0	-47.21	374.06	6.81	-40.40
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823312	0	39	-1.0	-51.70	342.79	5.68	-46.02
CC(C)(CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010823313	0	31	-1.0	-45.57	304.77	4.36	-41.21
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010823313	1	30	-2.0	-107.53	312.40	4.33	-103.20
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823314	0	43	0.0	-73.23	349.40	5.42	-67.81
CN(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823315	0	39	-1.0	-49.33	321.89	3.94	-45.39
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010823316	0	46	-1.0	-48.22	394.10	6.20	-42.02
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823317	0	43	-1.0	-54.05	361.73	6.00	-48.05
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010823318	0	31	-1.0	-49.22	294.14	4.13	-45.09
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010823318	1	30	-2.0	-106.65	306.52	4.32	-102.33
CC1=C(Cl)SC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823319	0	31	-1.0	-46.63	299.95	3.74	-42.89
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010823320	0	37	-1.0	-48.47	316.10	4.03	-44.44
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823321	0	35	-1.0	-52.37	298.71	2.57	-49.80
CC1=CC=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010823322	0	39	-1.0	-50.24	326.57	6.51	-43.73
CC(C)(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010823323	0	37	-1.0	-48.63	331.99	5.31	-43.32
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010823324	0	41	-1.0	-46.13	356.10	6.51	-39.62
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823325	0	34	-1.0	-46.84	312.78	5.10	-41.74
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010823326	0	36	-1.0	-52.48	312.18	3.89	-48.59
CC1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823327	0	37	-1.0	-48.96	320.88	4.96	-44.00
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823328	0	39	-1.0	-52.91	330.07	5.50	-47.41
CC(C)(CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010823329	0	31	-1.0	-46.35	302.30	4.71	-41.64
CC(C)(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823330	0	33	-1.0	-44.32	314.91	5.68	-38.64
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823330	1	32	-2.0	-110.07	316.89	5.46	-104.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010823331	0	41	-1.0	-46.13	356.10	6.51	-39.62
CC(C)(CNS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010823332	0	30	-1.0	-44.90	288.70	2.19	-42.71
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010823333	0	31	-1.0	-44.07	306.53	4.60	-39.47
CC(C)(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010823334	0	42	-1.0	-48.65	366.93	3.36	-45.29
CC(C)(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010823335	0	30	-2.0	-111.46	292.44	3.61	-107.85
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823336	0	41	-1.0	-49.42	329.37	5.09	-44.33
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823337	0	37	-1.0	-47.58	329.72	4.22	-43.36
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823338	0	35	-1.0	-46.05	308.23	3.86	-42.19
CC(C)(CNS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010823339	0	32	-1.0	-46.11	297.89	2.30	-43.81
CC(C)(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010823340	0	44	-1.0	-48.78	359.14	6.82	-41.96
CC(C)(C)C1=CC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])=NO1	REAL300010823341	0	42	-1.0	-49.02	352.27	4.25	-44.77
CC(C)(CNC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010823342	0	48	-1.0	-51.98	366.93	9.74	-42.24
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010823343	0	45	-1.0	-49.32	364.84	5.75	-43.57
COC1=CC=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823344	0	38	-1.0	-51.19	315.21	3.72	-47.47
COC(=O)C1=CN=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823345	0	36	-1.0	-47.91	320.93	2.37	-45.54
CC(C)(CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010823346	0	32	-1.0	-44.97	311.48	4.41	-40.56
CC(C)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823347	0	33	-1.0	-42.38	313.34	4.62	-37.76
CC(C)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823347	1	32	-2.0	-103.42	325.16	4.81	-98.61
COC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823348	0	38	-1.0	-50.03	332.03	4.16	-45.87
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823349	0	37	-1.0	-45.59	344.92	4.16	-41.43
CN(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823350	0	38	-1.0	-50.60	318.79	3.39	-47.21
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1OC	REAL300010823351	0	39	-1.0	-48.06	331.32	2.78	-45.28
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010823352	0	35	-1.0	-48.27	315.87	3.17	-45.10
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010823353	0	34	-1.0	-47.59	315.31	4.58	-43.01
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823354	0	42	-1.0	-53.42	362.26	0.49	-52.93
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2S1	REAL300010823355	0	43	-1.0	-50.77	385.61	6.56	-44.21
CC(C)(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010823356	0	37	-1.0	-54.70	321.20	2.96	-51.74
CC(C)(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010823357	0	36	-1.0	-58.60	327.17	-0.86	-59.46
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823358	0	37	-1.0	-53.05	323.37	3.94	-49.11
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823359	0	39	-1.0	-52.33	335.07	4.86	-47.47
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010823360	0	35	-1.0	-46.95	316.94	3.57	-43.38
CC1=CC2=C(C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-])OCO2	REAL300010823361	0	37	-1.0	-49.71	311.78	3.10	-46.61
CC(C)(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010823362	0	37	-1.0	-46.92	337.37	4.67	-42.25
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823363	0	37	-1.0	-56.11	312.52	4.63	-51.48
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823364	0	31	-1.0	-46.46	289.38	4.09	-42.37
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823365	0	37	-1.0	-44.88	302.89	5.09	-39.79
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010823366	0	31	-1.0	-45.93	304.20	4.79	-41.14
COC1=CC2=C(C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-])OCC(=O)N2	REAL300010823367	0	41	-1.0	-48.57	342.17	0.57	-48.00
CC(C)(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010823368	0	32	-2.0	-105.50	320.67	4.43	-101.07
CC(C)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010823368	1	33	-1.0	-45.49	313.07	4.44	-41.05
CC(C)(CNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010823369	0	33	-1.0	-45.66	309.32	4.33	-41.33
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010823369	1	32	-2.0	-101.43	316.93	4.31	-97.12
CC(C)(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010823370	0	31	-1.0	-44.44	299.48	4.84	-39.60
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010823370	1	30	-2.0	-106.71	300.79	4.56	-102.15
CC(C)(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010823371	0	32	-1.0	-53.89	289.32	1.90	-51.99
CC(C)(CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010823372	0	31	-1.0	-52.87	289.85	3.88	-48.99
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1OC	REAL300010823373	0	41	-1.0	-50.90	353.07	4.23	-46.67
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010823374	0	31	-1.0	-44.45	304.20	4.77	-39.68
CC(C)(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010823375	0	34	-1.0	-49.38	311.47	4.74	-44.64
CC(=O)NC1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823376	0	34	-1.0	-53.54	315.35	1.03	-52.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823376	1	33	-2.0	-96.02	312.66	-0.12	-96.14
CC(C)(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010823377	0	34	-1.0	-49.29	315.45	4.86	-44.43
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010823378	0	35	-1.0	-54.95	322.23	0.81	-54.14
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823379	0	40	-1.0	-51.62	336.28	5.97	-45.65
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823380	0	39	-1.0	-51.43	308.83	1.30	-50.13
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010823381	0	35	-1.0	-54.66	326.80	0.91	-53.75
CCOC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823382	0	38	-1.0	-47.98	322.35	3.74	-44.24
CC(C)(CNS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300010823383	0	42	-1.0	-53.14	341.62	4.79	-48.35
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010823384	0	35	-1.0	-50.11	327.65	4.70	-45.41
COCCN(CCC#N)S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823385	0	40	-1.0	-50.02	335.74	1.96	-48.06
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823386	0	38	-1.0	-50.15	340.92	4.09	-46.06
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010823387	0	34	-1.0	-50.55	291.32	2.08	-48.47
CC(C)(CNS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010823388	0	32	-1.0	-58.39	295.67	3.77	-54.62
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010823389	0	32	-1.0	-52.53	297.14	3.90	-48.63
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823390	0	37	-1.0	-46.16	323.85	5.42	-40.74
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823391	0	48	-1.0	-51.04	407.19	3.25	-47.79
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010823392	0	37	-1.0	-51.28	320.76	4.56	-46.72
COCCOCCOCCS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823393	0	45	-1.0	-51.48	379.45	0.87	-50.61
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823394	0	41	-1.0	-54.59	351.61	0.88	-53.71
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010823395	0	30	-2.0	-115.46	293.14	4.06	-111.40
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010823395	1	31	-1.0	-51.27	292.74	4.37	-46.90
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2CC1	REAL300010823396	0	48	-1.0	-50.77	383.12	5.48	-45.29
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010823397	0	40	-1.0	-46.96	355.34	5.00	-41.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1OC	REAL300010823398	0	41	-1.0	-47.55	364.27	5.16	-42.39
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823399	0	40	-1.0	-48.71	336.45	5.79	-42.92
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823400	0	40	-1.0	-48.43	332.28	5.50	-42.93
CNC(=O)C1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823401	0	41	-1.0	-52.84	351.21	2.51	-50.33
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823402	0	45	-1.0	-58.19	374.38	4.82	-53.37
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010823403	0	31	-1.0	-48.10	285.39	3.80	-44.30
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010823403	1	30	-2.0	-114.53	293.59	3.78	-110.75
CC(C)(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010823404	0	44	-1.0	-50.18	371.76	5.08	-45.10
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010823405	0	40	-1.0	-47.12	357.78	5.25	-41.87
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010823405	1	39	-2.0	-108.71	366.00	5.24	-103.47
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010823406	0	33	-1.0	-51.78	316.46	5.31	-46.47
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010823406	1	32	-2.0	-110.38	318.33	5.04	-105.34
CC(C)(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010823407	0	40	-1.0	-57.24	332.11	0.70	-56.54
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823408	0	38	-2.0	-114.19	339.34	4.70	-109.49
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1OC	REAL300010823409	0	42	-1.0	-51.06	366.44	3.32	-47.74
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010823410	0	43	-1.0	-48.45	361.27	5.40	-43.05
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823411	0	45	-1.0	-53.13	382.52	1.71	-51.42
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823412	0	42	-1.0	-49.49	345.99	3.08	-46.41
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823413	0	44	-1.0	-49.02	367.44	4.93	-44.09
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1C	REAL300010823414	0	43	-1.0	-46.99	363.68	5.63	-41.36
CC(C)(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010823415	0	34	-1.0	-48.12	296.37	4.42	-43.70
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823416	0	43	-1.0	-52.40	369.80	5.88	-46.52
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823417	0	37	-1.0	-47.91	343.24	6.22	-41.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823417	1	36	-2.0	-118.29	348.12	5.79	-112.50
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823418	0	34	-1.0	-45.98	312.05	5.63	-40.35
CC(COC1CCCC1)CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823419	0	47	-1.0	-47.77	371.79	4.88	-42.89
CC1=C(CCS(=O)(=O)NCC(C)(C)C(=O)[O-])SC=N1	REAL300010823420	0	36	-1.0	-49.08	319.18	2.76	-46.32
CC(C)(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010823421	0	37	-1.0	-47.55	332.96	5.53	-42.02
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823422	0	40	-1.0	-50.30	345.26	4.85	-45.45
CC(C)(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010823423	0	41	-1.0	-51.57	345.18	6.93	-44.64
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823424	0	45	-1.0	-51.79	390.12	1.31	-50.48
CC(C)(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010823425	0	34	-1.0	-47.98	310.94	4.80	-43.18
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN1C	REAL300010823426	0	43	-1.0	-48.48	373.00	4.71	-43.77
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010823427	0	37	-1.0	-53.86	341.50	1.45	-52.41
CC(C)(CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010823428	0	35	-1.0	-50.01	318.74	4.39	-45.62
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010823429	0	34	-1.0	-48.35	303.16	4.39	-43.96
CC1=NC(Cl)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823430	0	33	-1.0	-46.59	298.65	2.93	-43.66
CC1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010823431	0	34	-1.0	-54.03	311.37	3.09	-50.94
CC1=NC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010823431	1	33	-2.0	-122.16	311.39	2.66	-119.50
CC(C)(CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823432	0	32	-1.0	-45.21	293.77	2.39	-42.82
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823433	0	44	-1.0	-53.48	363.13	4.36	-49.12
CC(C)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010823434	0	34	-2.0	-103.69	307.92	3.14	-100.55
CC(C)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010823434	1	35	-1.0	-48.97	319.49	2.26	-46.71
CCOC(=O)CC1(S(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823435	0	40	-1.0	-50.62	327.77	4.67	-45.95
CC(C)(CNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010823436	0	48	-1.0	-56.44	415.88	3.92	-52.52
CC(C)(CNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010823437	0	32	-1.0	-45.87	309.10	4.17	-41.70
CC(C)(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010823437	1	31	-2.0	-105.38	316.75	4.15	-101.23
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823438	0	42	-1.0	-51.36	361.93	2.90	-48.46
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010823439	0	46	-1.0	-50.79	383.92	6.34	-44.45
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823440	0	43	-1.0	-54.50	374.06	2.74	-51.76
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010823441	0	36	-1.0	-48.39	317.41	0.72	-47.67
COC(=O)C1(CS(=O)(=O)NCC(C)(C)C(=O)[O-])CCCC1	REAL300010823442	0	43	-1.0	-51.34	344.85	4.59	-46.75
CC(C)(CNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010823443	0	30	-1.0	-44.60	301.68	2.71	-41.89
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823444	0	38	-1.0	-48.08	342.78	3.75	-44.33
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010823445	0	37	-1.0	-45.66	325.41	5.03	-40.63
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010823446	0	42	-1.0	-47.07	375.78	6.90	-40.17
COC(=O)CC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823447	0	40	-1.0	-52.59	347.93	4.95	-47.64
CC(C)(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010823448	0	33	-1.0	-53.23	295.32	3.28	-49.95
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010823449	0	37	-1.0	-50.05	332.43	5.46	-44.59
COC(=O)C1(CS(=O)(=O)NCC(C)(C)C(=O)[O-])CCC1	REAL300010823450	0	40	-1.0	-51.80	329.36	3.92	-47.88
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010823451	0	31	-1.0	-46.79	303.55	3.71	-43.08
CC(C)(CNS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010823452	0	35	-1.0	-48.33	318.87	4.53	-43.80
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1I	REAL300010823453	0	34	-1.0	-48.40	316.33	5.16	-43.24
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823454	0	44	-1.0	-54.47	380.83	3.88	-50.59
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823455	0	47	-1.0	-54.13	402.10	4.82	-49.31
COC(=O)C1(CS(=O)(=O)NCC(C)(C)C(=O)[O-])CCCCC1	REAL300010823456	0	46	-1.0	-50.07	357.16	5.01	-45.06
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C1C	REAL300010823457	0	39	-1.0	-47.22	337.24	2.87	-44.35
CC(C)(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010823458	0	35	-1.0	-53.33	315.03	3.08	-50.25
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823459	0	40	-1.0	-46.69	363.77	5.61	-41.08
CC(C)(CNS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010823460	0	32	-1.0	-45.61	297.69	3.95	-41.66
CC(C)(CNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010823461	0	47	-1.0	-55.88	404.08	5.39	-50.49
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010823462	0	33	-1.0	-49.76	308.35	2.80	-46.96
CC(C)(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010823463	0	44	-1.0	-46.99	327.82	5.55	-41.44
CC(C)(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010823464	0	40	-1.0	-51.83	335.20	5.12	-46.71
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010823465	0	32	-1.0	-54.79	298.18	2.79	-52.00
CC(C)(CNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010823466	0	37	-1.0	-49.72	326.91	5.10	-44.62
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010823467	0	34	-1.0	-48.85	310.48	2.48	-46.37
CN1C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010823467	1	33	-2.0	-113.40	309.99	2.05	-111.35
CC(C)(CNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823468	0	33	-1.0	-44.37	310.49	5.57	-38.80
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823468	1	32	-2.0	-109.89	312.10	5.37	-104.52
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010823469	0	40	-1.0	-48.80	340.00	4.47	-44.33
CC1=CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010823470	0	39	-1.0	-47.15	346.88	4.92	-42.23
CC(C)(CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010823471	0	40	-1.0	-48.03	324.03	4.67	-43.36
CC(C)(CNS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010823472	0	41	-1.0	-49.12	350.26	4.28	-44.84
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C(C)C)=C1	REAL300010823473	0	58	-1.0	-46.23	429.26	9.39	-36.84
CC(C)(CNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010823474	0	36	-1.0	-50.30	317.77	5.07	-45.23
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823475	0	43	-1.0	-50.07	371.41	5.83	-44.24
COC(=O)C1=NC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823476	0	36	-1.0	-51.38	311.02	3.23	-48.15
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823477	0	38	-1.0	-46.86	338.62	3.82	-43.04
COC1=CC=C2C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])CCC2=C1	REAL300010823478	0	43	-1.0	-48.45	354.32	5.22	-43.23
CC(C)(CNS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010823479	0	39	-1.0	-48.67	330.93	4.50	-44.17
CC(C)(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010823480	0	34	-1.0	-49.77	307.15	3.97	-45.80
CC(C)(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010823480	1	33	-2.0	-110.03	306.95	3.67	-106.36
CC(C)(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823481	0	34	-1.0	-48.83	321.70	5.59	-43.24
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823481	1	33	-2.0	-116.88	322.65	5.26	-111.62
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823482	0	45	-1.0	-60.10	385.15	1.67	-58.43
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823482	1	44	-2.0	-106.63	382.49	1.76	-104.87
CC(C)(CNS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010823483	0	34	-1.0	-49.14	321.75	4.90	-44.24
CC(C)(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010823484	0	40	-1.0	-59.47	354.85	1.76	-57.71
CC1=CC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010823485	0	40	-1.0	-49.52	337.69	6.46	-43.06
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823486	0	40	-1.0	-49.91	354.31	5.50	-44.41
CC(C)(CNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010823487	0	46	-1.0	-53.59	392.58	4.07	-49.52
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823488	0	44	-1.0	-50.96	366.95	3.87	-47.09
CC(C)(CNS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010823489	0	34	-1.0	-50.87	313.04	4.72	-46.15
CC(C)(CNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010823490	0	37	-1.0	-54.18	314.13	5.51	-48.67
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(CC)=C1	REAL300010823491	0	49	-1.0	-46.63	371.19	8.27	-38.36
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C12	REAL300010823492	0	50	-1.0	-49.19	411.90	4.30	-44.89
CC(C)(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010823493	0	38	-1.0	-55.93	326.98	3.27	-52.66
CC(C)(CNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010823494	0	33	-1.0	-51.45	319.14	3.43	-48.02
COC1=CC(OC)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823495	0	39	-1.0	-46.41	337.05	3.23	-43.18
CC(C)(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010823496	0	39	-1.0	-51.64	342.13	2.07	-49.57
CC(C)(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010823497	0	36	-1.0	-52.33	324.64	-1.52	-53.85
CC(C)(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010823498	0	42	-1.0	-61.97	343.64	0.65	-61.32
COC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300010823499	0	35	-1.0	-46.71	316.52	3.38	-43.33
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010823500	0	34	-1.0	-48.71	300.92	0.78	-47.93
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823501	0	44	-1.0	-52.99	366.35	4.97	-48.02
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010823502	0	40	-1.0	-50.18	342.05	6.50	-43.68
CC(C)(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010823503	0	35	-1.0	-43.22	307.65	3.68	-39.54
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010823504	0	35	-1.0	-43.56	317.39	4.15	-39.41
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823505	0	40	-1.0	-50.06	352.81	5.01	-45.05
COC(CC1=CC=CC=C1)CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823506	0	44	-1.0	-49.60	362.34	5.45	-44.15
COC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823507	0	35	-1.0	-46.23	297.90	3.41	-42.82
CC(C)(CNS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010823508	0	34	-1.0	-48.36	328.94	5.30	-43.06
CC(C)(CNS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010823509	0	34	-1.0	-47.63	327.59	5.30	-42.33
CC(C)(CNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010823510	0	34	-1.0	-44.37	310.58	2.62	-41.75
CCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823511	0	39	-1.0	-54.91	333.40	5.33	-49.58
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823512	0	47	-1.0	-48.04	367.61	5.65	-42.39
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823513	0	38	-1.0	-51.40	345.83	5.90	-45.50
CC(C)(CNS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010823514	0	38	-1.0	-54.16	336.39	5.42	-48.74
COC1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823515	0	34	-1.0	-45.90	314.23	0.74	-45.16
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823516	0	40	-1.0	-52.69	345.23	4.87	-47.82
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823517	0	40	-1.0	-49.59	363.89	5.18	-44.41
CC(C)(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010823518	0	34	-1.0	-47.63	311.47	4.75	-42.88
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300010823519	0	34	-1.0	-45.85	306.45	4.61	-41.24
CC(C)(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010823520	0	37	-1.0	-58.16	318.51	4.52	-53.64
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010823521	0	40	-1.0	-50.15	356.64	4.99	-45.16
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1F	REAL300010823522	0	37	-1.0	-55.72	338.87	4.39	-51.33
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823522	1	36	-2.0	-115.67	345.90	4.38	-111.29
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823523	0	40	-1.0	-50.67	344.27	4.55	-46.12
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823524	0	38	-1.0	-47.26	322.33	3.74	-43.52
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823525	0	37	-1.0	-47.48	327.17	5.39	-42.09
CC(C)(CNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010823526	0	44	-1.0	-48.61	349.07	3.58	-45.03
CC(C)(CNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010823527	0	46	-1.0	-52.14	385.60	1.32	-50.82
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010823528	0	39	-1.0	-49.18	314.34	4.71	-44.47
CC(C)(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010823529	0	38	-1.0	-54.80	335.51	1.39	-53.41
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010823530	0	31	-1.0	-44.18	292.99	4.09	-40.09
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])SC(Br)=C1	REAL300010823531	0	31	-1.0	-46.78	300.88	4.07	-42.71
CC(C)(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010823532	0	40	-1.0	-50.55	332.15	3.89	-46.66
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823533	0	41	-1.0	-55.19	334.67	2.12	-53.07
CC(C)(CNS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010823534	0	37	-1.0	-48.45	322.65	5.09	-43.36
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010823535	0	37	-1.0	-51.31	321.22	5.07	-46.24
CC(C)(CNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010823536	0	37	-1.0	-50.26	328.92	5.38	-44.88
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823537	0	35	-1.0	-43.57	318.49	4.01	-39.56
COC1=CC2=C(C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-])C(=O)NCCC2	REAL300010823538	0	46	-1.0	-52.31	367.61	2.43	-49.88
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S2)C1	REAL300010823539	0	42	-1.0	-53.34	361.33	3.98	-49.36
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010823540	0	38	-1.0	-49.36	340.64	5.80	-43.56
COC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C1CCOC1	REAL300010823541	0	42	-1.0	-46.91	335.18	1.34	-45.57
CC(C)(CNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010823542	0	34	-1.0	-47.88	317.84	4.86	-43.02
CC(C)(CNS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010823543	0	35	-1.0	-50.24	319.39	0.69	-49.55
CC(C)(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010823543	1	34	-2.0	-107.37	327.02	0.67	-106.70
CC(C)(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010823544	0	34	-1.0	-48.24	314.61	4.74	-43.50
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010823545	0	31	-1.0	-44.61	308.42	4.67	-39.94
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823546	0	38	-1.0	-59.62	326.91	0.95	-58.67
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823547	0	56	-1.0	-46.91	450.72	8.46	-38.45
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823548	0	46	-1.0	-51.47	380.26	5.87	-45.60
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823549	0	41	-1.0	-45.68	351.24	5.57	-40.11
CC(C)(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010823550	0	31	-1.0	-44.13	297.41	4.19	-39.94
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823551	0	37	-1.0	-47.58	329.72	4.22	-43.36
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010823552	0	45	-1.0	-51.43	378.59	6.59	-44.84
CC(C)(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010823553	0	45	-1.0	-47.81	388.46	6.87	-40.94
CC(C)(CNS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010823554	0	30	-1.0	-51.13	279.40	2.59	-48.54
CC(C)(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010823554	1	29	-2.0	-119.94	283.88	1.98	-117.96
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C2)=N1	REAL300010823555	0	43	-1.0	-53.14	363.12	3.53	-49.61
COC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010823556	0	41	-1.0	-47.82	352.79	4.63	-43.19
CC(C)(CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010823557	0	43	-1.0	-50.97	355.04	4.95	-46.02
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010823558	0	37	-1.0	-52.66	317.80	2.48	-50.18
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010823559	0	39	-1.0	-49.60	352.88	2.42	-47.18
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010823560	0	43	-1.0	-51.44	362.07	6.38	-45.06
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823561	0	42	-1.0	-52.74	356.11	2.72	-50.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1F	REAL300010823562	0	37	-1.0	-55.75	328.54	3.95	-51.80
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823562	1	36	-2.0	-115.17	335.58	3.94	-111.23
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(Cl)C=C21	REAL300010823563	0	42	-1.0	-61.53	350.96	4.60	-56.93
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823564	0	44	-1.0	-47.86	361.01	5.18	-42.68
COC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C1CCCC1	REAL300010823565	0	44	-1.0	-46.51	347.75	3.86	-42.65
COC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300010823566	0	47	-1.0	-47.27	362.66	4.54	-42.73
CC(C)(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010823567	0	34	-1.0	-47.18	310.72	3.02	-44.16
CCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010823568	0	50	-1.0	-48.12	401.86	6.58	-41.54
CC(C)(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010823569	0	34	-1.0	-58.29	319.86	3.34	-54.95
COC1=CC(F)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823570	0	35	-1.0	-46.21	297.32	3.42	-42.79
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010823571	0	39	-1.0	-47.89	333.56	6.00	-41.89
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823572	0	38	-1.0	-46.56	317.55	3.40	-43.16
CC(C)(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010823573	0	44	-1.0	-47.21	371.36	5.85	-41.36
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])O1	REAL300010823574	0	37	-1.0	-50.87	327.83	2.90	-47.97
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])O1	REAL300010823574	1	36	-2.0	-108.57	328.80	2.57	-106.00
CCC1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300010823575	0	44	-1.0	-55.66	362.49	5.45	-50.21
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823576	0	37	-1.0	-49.47	335.90	5.64	-43.83
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2C1	REAL300010823577	0	42	-1.0	-52.17	354.43	3.98	-48.19
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823578	0	34	-1.0	-46.77	312.60	2.13	-44.64
CC(C)(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010823579	0	42	-1.0	-51.27	371.03	7.62	-43.65
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823580	0	34	-1.0	-46.98	312.78	5.09	-41.89
CC(C)(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010823581	0	41	-1.0	-52.14	336.52	6.94	-45.20
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010823582	0	51	-1.0	-49.15	426.32	8.42	-40.73
CC1=CC=C(Br)C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823583	0	37	-1.0	-49.82	332.87	5.45	-44.37
COC1=CC=CC(Br)=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823584	0	38	-1.0	-50.88	339.70	4.16	-46.72
CC(C)(CNS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010823585	0	37	-1.0	-50.05	326.29	5.08	-44.97
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1F	REAL300010823586	0	34	-1.0	-54.85	295.30	3.99	-50.86
CC(C)(CNS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010823587	0	30	-1.0	-52.57	285.80	1.86	-50.71
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010823587	1	29	-2.0	-109.29	293.33	1.87	-107.42
CC(C)OC1=CN=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823588	0	40	-1.0	-47.60	334.84	2.58	-45.02
CC(C)(CNS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010823589	0	37	-1.0	-53.40	331.56	1.95	-51.45
CC(C)(CNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010823590	0	38	-1.0	-48.57	346.52	2.82	-45.75
COC(=O)C1=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])OC=C1	REAL300010823591	0	33	-2.0	-122.04	304.15	2.59	-119.45
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])OC=C1	REAL300010823591	1	34	-1.0	-52.49	301.93	2.87	-49.62
CCC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C)C=C1OC	REAL300010823592	0	44	-1.0	-49.22	356.30	5.21	-44.01
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010823593	0	37	-1.0	-45.49	341.62	5.41	-40.08
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823594	0	39	-1.0	-53.01	340.88	4.53	-48.48
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=N1	REAL300010823595	0	32	-2.0	-128.05	299.12	2.11	-125.94
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=N1	REAL300010823595	1	33	-1.0	-54.43	297.49	2.53	-51.90
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823596	0	34	-1.0	-46.80	321.79	5.50	-41.30
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010823597	0	40	-1.0	-51.70	321.13	6.57	-45.13
CC(C)(CNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010823598	0	38	-1.0	-47.15	340.59	3.41	-43.74
CC1=CC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C2NC1=O	REAL300010823599	0	40	-1.0	-50.62	341.46	3.26	-47.36
CN1N=NC2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823600	0	36	-1.0	-48.98	314.84	1.97	-47.01
CC1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010823601	0	40	-1.0	-53.73	351.22	5.14	-48.59
CC(C)(CNS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010823602	0	31	-1.0	-47.81	287.51	1.15	-46.66
CC(C)(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010823602	1	30	-2.0	-110.34	287.03	0.72	-109.62
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010823603	0	36	-1.0	-49.42	313.45	4.46	-44.96
CC(C)(CNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010823604	0	37	-1.0	-49.37	326.12	4.71	-44.66
C[NH+]1CCN(CCCS(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823605	0	48	0.0	-71.30	372.20	2.75	-68.55
CN1CCN(CCCS(=O)(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300010823605	1	47	-1.0	-48.28	368.71	0.24	-48.04
CN1N=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1Br	REAL300010823606	0	31	-1.0	-45.15	283.71	1.26	-43.89
CN1N=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1I	REAL300010823607	0	31	-1.0	-42.98	287.55	1.57	-41.41
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823608	0	35	-1.0	-44.70	304.30	4.59	-40.11
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823609	0	40	-1.0	-46.72	339.57	2.08	-44.64
CCCCN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=N1	REAL300010823610	0	43	-1.0	-49.75	361.11	4.22	-45.53
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(OC)C=C1F	REAL300010823611	0	41	-1.0	-46.55	350.67	4.02	-42.53
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823612	0	41	-1.0	-52.65	344.00	4.33	-48.32
COC1=C(F)C=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823613	0	35	-1.0	-51.26	295.62	3.62	-47.64
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010823614	0	47	-1.0	-48.47	380.94	5.77	-42.70
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823615	0	43	-1.0	-49.16	349.20	5.78	-43.38
CC(C)(CNS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010823616	0	32	-1.0	-46.26	298.22	3.98	-42.28
CC(C)(CNS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010823617	0	34	-1.0	-48.78	314.62	4.74	-44.04
CC(C)(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010823618	0	50	-1.0	-48.37	396.59	8.04	-40.33
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823619	0	36	-1.0	-52.50	334.04	3.69	-48.81
CC(C)(CNS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010823620	0	28	-1.0	-52.35	269.26	1.63	-50.72
CC(C)(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010823620	1	27	-2.0	-119.00	271.81	1.13	-117.87
CC(C)(CNS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010823621	0	39	-1.0	-55.04	339.00	4.38	-50.66
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010823622	0	30	-1.0	-46.63	284.61	2.20	-44.43
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010823622	1	29	-2.0	-106.33	295.81	2.41	-103.92
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010823623	0	30	-1.0	-52.67	280.63	1.78	-50.89
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010823623	1	29	-2.0	-109.21	288.72	1.80	-107.41
COC1=NC=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823624	0	34	-1.0	-45.88	310.09	1.34	-44.54
CC(C)(CNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010823625	0	36	-1.0	-48.12	326.48	4.37	-43.75
CC(C)(CNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010823626	0	33	-1.0	-47.36	310.74	3.38	-43.98
CC(C)(CNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010823627	0	41	-1.0	-51.65	355.50	4.23	-47.42
CC(C)(CNS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010823628	0	34	-1.0	-45.80	312.12	4.36	-41.44
CC(C)(CNS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010823629	0	30	-1.0	-50.22	299.23	1.87	-48.35
CC(C)(CNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010823630	0	33	-1.0	-50.24	323.88	3.63	-46.61
CCS(=O)(CC)=NS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823631	0	37	-1.0	-60.22	314.84	1.13	-59.09
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823631	1	36	-2.0	-140.18	315.76	0.82	-139.36
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010823632	0	33	-1.0	-48.24	304.82	4.82	-43.42
CC(C)(CNS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010823633	0	39	-1.0	-54.38	315.21	2.48	-51.90
CCOC(=O)C1(S(=O)(=O)NCC(C)(C)C(=O)[O-])CCC1	REAL300010823634	0	40	-1.0	-45.99	323.25	4.29	-41.70
CC(C)(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010823635	0	42	-1.0	-55.90	356.58	0.10	-55.80
CC(C)(CNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010823636	0	32	-1.0	-45.68	315.56	2.63	-43.05
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823637	0	40	-1.0	-50.28	349.55	4.90	-45.38
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010823638	0	33	-2.0	-114.95	318.94	4.35	-110.60
CC(C)(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010823638	1	34	-1.0	-49.96	317.56	4.57	-45.39
CN1N=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010823639	0	34	-1.0	-46.82	304.04	2.26	-44.56
CN1N=CC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010823639	1	33	-2.0	-108.86	303.94	1.84	-107.02
CN1N=C2CCCCC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823640	0	41	-1.0	-47.27	329.95	3.55	-43.72
CC(C)(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010823641	0	28	-1.0	-47.68	267.39	2.60	-45.08
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300010823642	0	43	-1.0	-49.44	341.04	3.79	-45.65
CC(C)(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010823643	0	41	-1.0	-50.38	338.38	3.87	-46.51
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823644	0	34	-1.0	-48.51	297.22	2.10	-46.41
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(Br)=N1	REAL300010823645	0	31	-1.0	-52.17	285.63	1.31	-50.86
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010823646	0	33	-1.0	-49.16	302.97	2.78	-46.38
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823647	0	38	-1.0	-50.19	329.32	3.67	-46.52
CC(C)(CNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010823648	0	45	-1.0	-50.24	376.89	4.72	-45.52
C=CCCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823649	0	41	-1.0	-47.36	347.60	6.31	-41.05
COC(=O)C1=CNN=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823650	0	34	-1.0	-56.78	299.22	1.09	-55.69
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823650	1	33	-2.0	-129.30	303.05	0.77	-128.53
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823651	0	34	-1.0	-46.52	321.90	5.51	-41.01
CC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823652	0	36	-1.0	-49.41	316.78	4.01	-45.40
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823653	0	40	-1.0	-59.05	334.58	1.54	-57.51
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823653	1	39	-2.0	-140.37	334.92	1.22	-139.15
CCCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010823654	0	53	-1.0	-46.85	423.35	7.36	-39.49
CC(C)(CNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010823655	0	34	-1.0	-49.37	307.07	4.43	-44.94
CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010823656	0	42	-1.0	-50.53	348.25	3.70	-46.83
CC(C)(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010823657	0	35	-1.0	-46.98	319.03	5.22	-41.76
CCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010823658	0	53	-1.0	-48.35	414.41	7.25	-41.10
CCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1CC	REAL300010823659	0	47	-1.0	-47.03	384.94	6.04	-40.99
CC(C)(CNS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010823660	0	38	-1.0	-52.34	334.15	5.48	-46.86
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823661	0	37	-1.0	-44.80	313.82	5.52	-39.28
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823662	0	45	-1.0	-53.61	362.96	3.20	-50.41
CC(C)(CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010823663	0	34	-1.0	-50.85	325.69	5.24	-45.61
CC(C)(CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010823664	0	34	-1.0	-51.82	316.57	4.84	-46.98
CC(C)(CNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010823665	0	41	-1.0	-54.04	353.09	5.44	-48.60
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823666	0	37	-1.0	-47.31	331.83	5.42	-41.89
CC1=CN=C(Cl)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823667	0	33	-1.0	-51.13	289.35	2.35	-48.78
COC1=CC=C(Br)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1F	REAL300010823668	0	35	-1.0	-54.21	319.93	3.74	-50.47
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1F	REAL300010823668	1	34	-2.0	-120.97	320.32	3.44	-117.53
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823669	0	41	-1.0	-48.10	344.97	5.83	-42.27
CCOC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010823670	0	40	-1.0	-52.86	339.67	3.40	-49.46
CC(C)(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010823671	0	35	-1.0	-47.77	316.54	5.13	-42.64
CC(C)(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010823672	0	36	-1.0	-49.74	303.25	0.47	-49.27
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010823673	0	35	-1.0	-54.41	311.44	-0.90	-55.31
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(=O)OC	REAL300010823674	0	43	-1.0	-50.55	376.66	5.17	-45.38
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823675	0	44	-1.0	-51.89	371.39	4.33	-47.56
CC(C)(CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010823676	0	40	-1.0	-53.36	333.10	4.23	-49.13
CC(C)(CNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010823677	0	31	-1.0	-46.17	285.36	3.71	-42.46
COC(=O)C1=CC=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823678	0	36	-1.0	-54.21	321.98	2.30	-51.91
CC(C)(CNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010823679	0	37	-1.0	-48.03	322.06	5.10	-42.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823680	0	47	-1.0	-47.61	384.93	6.29	-41.32
CC(C)(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010823681	0	36	-1.0	-51.16	307.18	4.08	-47.08
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823682	0	51	-1.0	-55.00	395.91	5.95	-49.05
COC(=O)C1=CN(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823683	0	38	-1.0	-57.09	326.26	3.49	-53.60
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010823684	0	45	-1.0	-48.57	365.95	3.61	-44.96
CC(C)(CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010823685	0	46	-1.0	-66.57	381.08	6.18	-60.39
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823686	0	45	-1.0	-66.00	371.21	5.46	-60.54
CC(C)(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010823687	0	38	-2.0	-97.65	316.48	3.22	-94.43
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300010823688	0	46	-1.0	-47.97	399.25	7.39	-40.58
CC(C)(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010823689	0	38	-1.0	-50.96	320.87	3.20	-47.76
CC(C)(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010823690	0	38	-1.0	-46.56	312.84	3.13	-43.43
CC(C)(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010823691	0	41	-1.0	-46.18	329.94	3.88	-42.30
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010823692	0	43	-1.0	-49.79	361.75	6.40	-43.39
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823693	0	44	-1.0	-47.74	361.07	4.71	-43.03
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823694	0	41	-1.0	-50.59	344.48	4.33	-46.26
CC(C)(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010823695	0	42	-1.0	-49.38	341.90	1.56	-47.82
CC(C)(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010823696	0	37	-1.0	-48.89	337.24	4.44	-44.45
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010823697	0	37	-1.0	-50.64	321.70	0.74	-49.90
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010823698	0	27	-2.0	-111.60	272.54	1.88	-109.72
CC(C)(CNS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010823698	1	28	-1.0	-47.43	270.30	2.19	-45.24
CC(C)(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010823699	0	38	-1.0	-47.41	311.94	3.48	-43.93
COC1=C(F)C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823700	0	35	-1.0	-46.40	316.85	3.06	-43.34
COC1=CC(F)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1F	REAL300010823701	0	35	-1.0	-47.78	304.35	2.65	-45.13
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010823702	0	56	-1.0	-48.03	444.85	8.15	-39.88
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823703	0	47	-1.0	-49.27	374.52	5.65	-43.62
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823704	0	41	-1.0	-49.58	344.93	4.87	-44.71
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010823705	0	54	-1.0	-51.11	435.84	6.00	-45.11
CC1CC2=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C2O1	REAL300010823706	0	39	-1.0	-50.21	312.65	3.86	-46.35
CC(C)(C)C1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823707	0	39	-1.0	-46.91	339.07	3.19	-43.72
CC(C)(CNS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010823708	0	39	-1.0	-50.04	338.64	5.74	-44.30
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823709	0	35	-1.0	-48.94	309.52	4.16	-44.78
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823709	1	34	-2.0	-117.13	307.20	3.87	-113.26
CC1=C(Br)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C)S1	REAL300010823710	0	34	-1.0	-48.29	315.07	4.92	-43.37
CC1=CC(Cl)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010823711	0	34	-1.0	-48.12	318.10	5.57	-42.55
COC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=N1	REAL300010823712	0	36	-1.0	-47.59	321.33	2.37	-45.22
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1Br	REAL300010823713	0	37	-1.0	-49.84	336.63	4.78	-45.06
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823714	0	48	-1.0	-57.95	380.98	5.63	-52.32
CC(C)(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010823715	0	37	-1.0	-49.83	324.65	4.15	-45.68
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C21	REAL300010823716	0	45	-1.0	-56.92	370.41	5.13	-51.79
CN1N=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823717	0	31	-1.0	-46.60	292.36	1.65	-44.95
CC(C)(CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010823718	0	33	-1.0	-45.46	304.54	2.71	-42.75
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823719	0	36	-1.0	-57.86	311.09	3.13	-54.73
CC(C)(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010823720	0	35	-1.0	-52.58	318.96	3.77	-48.81
CC(C)(CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010823721	0	34	-1.0	-58.77	315.30	3.23	-55.54
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010823722	0	34	-1.0	-50.88	309.24	4.95	-45.93
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823723	0	38	-1.0	-47.14	321.32	3.30	-43.84
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C)=C1F	REAL300010823724	0	40	-1.0	-48.14	318.53	5.55	-42.59
COC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1OC	REAL300010823725	0	39	-1.0	-52.89	318.64	3.31	-49.58
CC(C)(CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010823726	0	40	-1.0	-60.97	339.32	0.74	-60.23
CC(C)(CNS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010823727	0	32	-1.0	-49.29	311.50	4.42	-44.87
COC1=CC=C(F)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1OC	REAL300010823728	0	39	-1.0	-52.67	329.83	3.85	-48.82
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1	REAL300010823729	0	33	-2.0	-104.61	329.99	2.58	-102.03
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823729	1	34	-1.0	-48.82	329.03	2.90	-45.92
CC(C)(CNS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010823730	0	28	-1.0	-46.38	290.55	3.73	-42.65
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300010823731	0	44	-1.0	-48.80	339.27	3.65	-45.15
CC(C)(CNS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010823732	0	35	-1.0	-53.57	321.83	5.44	-48.13
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300010823733	0	38	-1.0	-48.70	308.67	2.74	-45.96
CC(C)(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010823734	0	33	-2.0	-95.50	297.66	3.83	-91.67
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010823735	0	35	-1.0	-50.70	310.23	3.10	-47.60
CC(C)(CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010823736	0	35	-1.0	-55.73	318.31	3.77	-51.96
CC(C)(CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010823737	0	34	-1.0	-51.49	299.82	2.75	-48.74
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010823737	1	33	-2.0	-122.36	300.79	2.43	-119.93
CN1N=NC2=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=CC=C21	REAL300010823738	0	36	-1.0	-64.80	309.34	1.94	-62.86
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010823739	0	31	-2.0	-103.37	302.26	3.18	-100.19
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1Br	REAL300010823740	0	37	-1.0	-48.71	325.22	5.60	-43.11
CC(C)(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010823741	0	37	-1.0	-45.70	338.61	4.66	-41.04
CC(C)(CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010823742	0	34	-1.0	-46.84	293.97	3.41	-43.43
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2CCC2)=N1	REAL300010823743	0	41	-1.0	-48.54	322.62	3.17	-45.37
CC(C)(CNS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010823744	0	39	-1.0	-47.25	331.60	3.53	-43.72
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823745	0	49	-1.0	-48.94	385.14	7.53	-41.41
CC(C)(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010823746	0	37	-1.0	-45.23	342.20	5.39	-39.84
CC(C)(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010823747	0	41	-1.0	-48.04	344.95	4.15	-43.89
CC(C)(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010823748	0	35	-1.0	-48.84	302.56	4.49	-44.35
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010823749	0	42	-1.0	-46.13	355.62	6.18	-39.95
CC(C)(CNS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010823750	0	44	-1.0	-53.47	360.78	1.92	-51.55
COC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010823751	0	40	-1.0	-61.07	335.83	4.75	-56.32
COC(=O)C1=NN(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823752	0	37	-1.0	-51.67	327.27	1.86	-49.81
CC(C)(CNS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010823753	0	32	-1.0	-53.07	282.27	3.34	-49.73
CN1N=C2CCCC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823754	0	38	-1.0	-48.29	316.66	3.03	-45.26
CC(C)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823755	0	35	-1.0	-46.31	326.84	4.88	-41.43
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010823756	0	43	-1.0	-51.16	371.66	6.42	-44.74
CC(C)(CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010823757	0	40	-1.0	-48.45	359.41	6.13	-42.32
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823758	0	40	-1.0	-47.85	319.63	3.17	-44.68
CC(C)(C)N1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823759	0	40	-1.0	-47.95	334.89	3.24	-44.71
CC(C)(CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010823760	0	38	-1.0	-48.59	320.43	2.57	-46.02
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010823761	0	36	-1.0	-45.11	321.32	3.34	-41.77
CC(C)(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010823762	0	34	-1.0	-44.75	315.54	4.59	-40.16
CC(C)(CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010823763	0	31	-1.0	-45.74	291.31	4.04	-41.70
CC(C)(CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010823764	0	31	-1.0	-43.96	302.73	3.61	-40.35
CC(C)(CNS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010823765	0	36	-1.0	-45.63	298.55	2.72	-42.91
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823766	0	41	-1.0	-51.94	352.87	2.54	-49.40
CC(C)(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823767	0	28	-1.0	-48.78	274.78	2.26	-46.52
CC(C)(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010823767	1	27	-2.0	-107.76	275.15	1.92	-105.84
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010823768	0	34	-1.0	-46.85	322.88	4.94	-41.91
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010823769	0	34	-1.0	-51.71	290.98	5.00	-46.71
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823770	0	42	-1.0	-51.43	354.98	5.57	-45.86
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010823771	0	42	-1.0	-48.98	339.07	6.60	-42.38
CC(C)(CNS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010823772	0	41	-1.0	-50.05	350.64	5.21	-44.84
CC(C)(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010823773	0	37	-1.0	-47.03	332.81	4.57	-42.46
CC(C)(CNS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010823774	0	36	-1.0	-43.97	322.00	4.03	-39.94
CC(C)(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010823775	0	38	-1.0	-50.31	323.44	1.87	-48.44
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823776	0	41	-1.0	-47.11	367.18	4.29	-42.82
CC(C)(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010823777	0	31	-1.0	-45.63	293.94	4.20	-41.43
CC(C)(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010823778	0	31	-1.0	-46.04	289.72	3.94	-42.10
CC(C)(CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823779	0	34	-1.0	-46.24	301.72	5.17	-41.07
COC(=O)C1=C(C)SC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823780	0	37	-1.0	-46.72	337.15	3.86	-42.86
CC(C)(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010823781	0	38	-1.0	-51.32	317.88	5.39	-45.93
CC(C)(CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010823782	0	33	-1.0	-45.67	325.36	3.74	-41.93
CC(C)(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010823783	0	41	-1.0	-48.03	336.99	4.02	-44.01
CCC(C)N1N=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823784	0	40	-1.0	-46.82	330.35	3.42	-43.40
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823785	0	40	-1.0	-52.43	341.59	1.04	-51.39
CC(C)(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010823786	0	34	-1.0	-54.80	324.33	0.03	-54.77
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823787	0	40	-1.0	-52.43	341.59	1.04	-51.39
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823788	0	34	-1.0	-47.85	295.95	5.09	-42.76
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823789	0	43	-1.0	-53.19	360.15	7.30	-45.89
CN(C1CCCCCC1)S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823790	0	45	-1.0	-45.63	341.04	4.53	-41.10
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010823791	0	31	-1.0	-49.63	294.83	2.74	-46.89
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010823791	1	30	-2.0	-105.94	294.63	2.42	-103.52
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823792	0	35	-1.0	-43.75	304.18	3.47	-40.28
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300010823793	0	45	-1.0	-49.94	368.87	2.66	-47.28
CC(C)(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010823794	0	37	-1.0	-47.24	324.19	5.05	-42.19
CC(C)(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010823795	0	35	-1.0	-48.74	309.65	3.11	-45.63
CC(C)(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010823796	0	46	-1.0	-46.65	365.91	6.20	-40.45
CC1=CC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300010823797	0	42	-1.0	-58.02	342.43	5.87	-52.15
CC(C)(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010823798	0	39	-1.0	-48.34	324.01	3.51	-44.83
CCOCC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823799	0	41	-1.0	-48.43	347.31	4.21	-44.22
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823800	0	40	-1.0	-50.88	350.00	5.77	-45.11
CC(C)(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010823801	0	34	-1.0	-48.61	329.67	5.54	-43.07
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823802	0	41	-1.0	-49.44	350.67	4.70	-44.74
CC(C)(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010823803	0	44	-1.0	-50.22	356.78	4.48	-45.74
CC(C)(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823804	0	34	-1.0	-48.67	325.75	5.70	-42.97
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010823804	1	33	-2.0	-115.78	326.12	5.39	-110.39
CC(C)(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010823805	0	42	-1.0	-47.89	359.67	6.36	-41.53
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823806	0	43	-1.0	-53.08	359.65	6.28	-46.80
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC(C)=C1Br	REAL300010823807	0	37	-1.0	-46.11	328.67	5.26	-40.85
CC(C)(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010823808	0	36	-1.0	-48.56	331.82	5.01	-43.55
CC(C)(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010823808	1	35	-2.0	-115.26	334.11	4.73	-110.53
CC(C)(CNS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010823809	0	30	-1.0	-50.47	294.98	1.78	-48.69
CC(C)(CNS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010823810	0	32	-1.0	-57.77	288.95	3.63	-54.14
CC(C)(CNS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010823811	0	35	-1.0	-48.48	309.93	3.00	-45.48
CC(C)(CNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010823812	0	37	-1.0	-46.64	344.37	4.69	-41.95
CC(C)(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010823812	1	36	-2.0	-111.72	348.61	4.52	-107.20
CC(C)(CNS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010823813	0	30	-1.0	-44.77	288.01	2.17	-42.60
CC(C)(CNS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010823814	0	43	-1.0	-49.34	355.06	1.24	-48.10
CCN1N=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1Cl	REAL300010823815	0	34	-1.0	-46.10	303.47	2.09	-44.01
CC(C)(CNS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010823816	0	35	-1.0	-47.68	320.56	5.23	-42.45
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C2	REAL300010823817	0	37	-1.0	-48.03	355.49	4.75	-43.28
CC(C)(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010823818	0	30	-2.0	-113.16	300.58	4.10	-109.06
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823819	0	33	-1.0	-53.10	304.26	2.46	-50.64
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823819	1	32	-2.0	-107.26	311.78	2.48	-104.78
CC(C)(CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010823820	0	36	-1.0	-53.59	327.44	4.71	-48.88
CC(C)(CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010823821	0	36	-1.0	-51.56	323.57	4.52	-47.04
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823822	0	33	-1.0	-53.10	304.26	2.46	-50.64
CC(C)(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010823822	1	32	-2.0	-107.26	311.78	2.48	-104.78
CC(C)(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010823823	0	34	-1.0	-48.61	329.67	5.54	-43.07
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010823824	0	40	-1.0	-51.15	329.12	6.42	-44.73
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823825	0	35	-1.0	-54.07	322.84	4.52	-49.55
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823825	1	34	-2.0	-122.50	323.21	4.21	-118.29
CC(C)(CNS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010823826	0	38	-1.0	-51.23	328.92	3.89	-47.34
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C21	REAL300010823827	0	45	-1.0	-49.43	375.56	5.03	-44.40
CC(C)(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010823828	0	31	-1.0	-50.99	290.73	3.83	-47.16
CC(C)(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010823828	1	30	-2.0	-108.78	298.89	3.81	-104.97
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])O1	REAL300010823829	0	37	-1.0	-58.44	334.63	-0.19	-58.63
CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010823830	0	41	-1.0	-48.62	335.36	4.37	-44.25
CC(C)(CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010823831	0	37	-1.0	-50.78	339.07	1.14	-49.64
CC(C)(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010823832	0	35	-1.0	-48.16	308.71	4.78	-43.38
CC(C)(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010823833	0	35	-1.0	-46.91	323.59	5.32	-41.59
CC(C)(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010823834	0	35	-1.0	-47.72	324.17	5.32	-42.40
CC(C)(CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010823835	0	36	-1.0	-54.84	313.59	-2.52	-57.36
CC(C)(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010823836	0	33	-1.0	-48.60	301.93	2.91	-45.69
CC1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010823837	0	40	-1.0	-55.33	344.85	2.71	-52.62
CC1=NC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010823837	1	39	-2.0	-125.44	346.82	2.18	-123.26
CC(C)(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010823838	0	48	-1.0	-47.17	347.39	6.42	-40.75
CC(C)(CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010823839	0	39	-1.0	-48.18	309.39	3.99	-44.19
CC(C)(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010823840	0	39	-1.0	-59.26	341.46	0.38	-58.88
CC(C)(CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010823841	0	44	-1.0	-48.18	345.25	3.87	-44.31
CCOC(=O)C1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C2C=CC=CN12	REAL300010823842	0	43	-1.0	-60.28	371.39	5.37	-54.91
CC(C)(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010823843	0	35	-1.0	-55.67	318.96	2.55	-53.12
COC(=O)C1=CN2C=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C2C=C1	REAL300010823844	0	40	-1.0	-57.01	352.39	5.41	-51.60
CC(C)(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010823845	0	41	-1.0	-48.93	354.27	6.42	-42.51
CC(C)(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010823846	0	40	-1.0	-50.04	322.84	0.99	-49.05
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823847	0	40	-1.0	-53.24	343.93	4.40	-48.84
CC(C)(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010823848	0	44	-1.0	-46.94	338.32	5.50	-41.44
CC(C)(CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010823849	0	35	-1.0	-48.65	314.22	4.83	-43.82
COC(=O)C1CCCCN1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823850	0	42	-1.0	-49.09	337.68	4.05	-45.04
CC(C)(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010823851	0	53	-1.0	-48.68	400.56	7.69	-40.99
CC(C)(CNS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010823852	0	34	-1.0	-47.45	316.44	4.33	-43.12
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823853	0	42	-1.0	-48.43	344.31	4.39	-44.04
CC1=CC=CC(CNS(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823854	0	39	-1.0	-47.17	330.93	3.44	-43.73
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=NN1	REAL300010823855	0	37	-1.0	-49.32	329.21	1.36	-47.96
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823855	1	36	-2.0	-98.54	325.15	1.24	-97.30
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=N[N-]1	REAL300010823855	1	36	-2.0	-98.43	325.20	1.24	-97.19
COC1=CSC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1OC	REAL300010823856	0	36	-1.0	-48.32	319.76	1.38	-46.94
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])=C1	REAL300010823857	0	33	-2.0	-104.12	325.92	2.48	-101.64
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823857	1	34	-1.0	-48.93	324.95	2.79	-46.14
CC(C)(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010823858	0	43	-1.0	-46.48	330.83	3.99	-42.49
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823859	0	42	-1.0	-46.80	350.67	5.43	-41.37
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823860	0	35	-1.0	-48.57	321.61	4.69	-43.88
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823860	1	34	-2.0	-116.44	321.41	4.43	-112.01
CC(C)(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010823861	0	35	-1.0	-49.27	319.68	4.29	-44.98
COC1=CC(F)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823862	0	35	-1.0	-48.83	308.97	3.08	-45.75
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])C(F)=C1	REAL300010823862	1	34	-2.0	-118.03	308.76	2.79	-115.24
CC(C)(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010823863	0	35	-1.0	-51.76	316.47	3.16	-48.60
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823864	0	37	-1.0	-49.85	315.39	3.46	-46.39
CC(C)(CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010823865	0	34	-1.0	-47.31	300.60	5.08	-42.23
CC(C)(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010823866	0	40	-1.0	-47.74	349.27	4.01	-43.73
CC(C)(CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010823867	0	28	-1.0	-43.58	296.05	3.62	-39.96
CC(C)(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010823867	1	27	-2.0	-103.41	296.43	3.30	-100.11
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823868	0	44	-1.0	-52.13	364.75	5.93	-46.20
CC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010823869	0	48	-1.0	-49.36	389.41	5.42	-43.94
CC(C)(CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010823870	0	34	-1.0	-50.85	326.66	4.94	-45.91
CC(C)(CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010823871	0	36	-1.0	-51.49	323.64	4.19	-47.30
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823872	0	39	-1.0	-52.51	324.74	3.38	-49.13
CC(C)(CNS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010823873	0	28	-1.0	-45.69	284.74	3.40	-42.29
CC(C)(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010823873	1	27	-2.0	-111.43	289.27	3.22	-108.21
CC(C)(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010823874	0	42	-1.0	-52.53	361.40	6.43	-46.10
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010823875	0	37	-1.0	-51.83	307.29	5.52	-46.31
COC(=O)C1=CNN=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823876	0	34	-1.0	-56.78	299.22	1.09	-55.69
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823876	1	33	-2.0	-129.30	303.05	0.77	-128.53
CC(C)(CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010823877	0	36	-1.0	-53.87	325.86	2.10	-51.77
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010823878	0	32	-1.0	-50.86	306.14	2.38	-48.48
CC1=CC(Cl)=NC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823879	0	33	-1.0	-47.91	297.52	3.05	-44.86
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823880	0	42	-1.0	-48.21	354.65	5.14	-43.07
CCN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300010823881	0	41	-1.0	-48.54	330.61	3.60	-44.94
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010823882	0	35	-1.0	-56.24	308.99	2.91	-53.33
CC(C)(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010823883	0	37	-1.0	-47.88	333.62	6.29	-41.59
CC(=O)OC1CCN(S(=O)(=O)NCC(C)(C)C(=O)[O-])C1	REAL300010823884	0	39	-1.0	-49.12	330.21	2.72	-46.40
CC(C)(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010823885	0	41	-1.0	-47.92	361.90	7.45	-40.47
COC(=O)C1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C(Cl)S1	REAL300010823886	0	34	-1.0	-47.53	326.67	4.55	-42.98
CCC1=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010823887	0	37	-1.0	-45.96	329.44	5.40	-40.56
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823888	0	44	-1.0	-47.26	357.17	4.72	-42.54
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823889	0	45	-1.0	-48.69	367.49	3.86	-44.83
CC(C)(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010823890	0	37	-1.0	-50.94	317.75	5.83	-45.11
CN1N=C2CCOCC2=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823891	0	39	-1.0	-49.38	321.62	1.19	-48.19
CC(C)(CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010823892	0	37	-1.0	-48.80	335.81	3.35	-45.45
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823893	0	45	-1.0	-53.88	380.42	3.83	-50.05
CC(C)(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010823894	0	46	-1.0	-47.47	372.86	3.90	-43.57
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823895	0	34	-1.0	-46.07	305.49	1.22	-44.85
COC1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823896	0	37	-1.0	-46.73	318.29	0.94	-45.79
CC(C)CN1C=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300010823897	0	40	-1.0	-47.77	337.79	3.61	-44.16
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823898	0	40	-1.0	-49.40	334.53	3.21	-46.19
CC(C)(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010823899	0	30	-1.0	-45.26	297.73	1.51	-43.75
CC(C)(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010823900	0	41	-1.0	-46.94	333.23	1.30	-45.64
COCC1=CC(CS(=O)(=O)NCC(C)(C)C(=O)[O-])=NO1	REAL300010823901	0	37	-1.0	-50.36	325.32	1.39	-48.97
CC(C)(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010823902	0	34	-1.0	-58.29	319.86	3.34	-54.95
CC(C)(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010823903	0	28	-2.0	-112.42	283.79	1.03	-111.39
CC(C)(CNS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010823903	1	29	-1.0	-48.06	280.14	1.52	-46.54
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823904	0	35	-1.0	-58.38	319.11	1.56	-56.82
CC1=C(C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C(C)S1	REAL300010823905	0	37	-1.0	-45.55	313.17	4.93	-40.62
CC(C)(CNS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010823906	0	28	-1.0	-46.38	290.55	3.73	-42.65
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823907	0	35	-1.0	-45.89	312.79	3.97	-41.92
CC(C)(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010823908	0	33	-1.0	-48.74	306.11	2.64	-46.10
COC1=NC=CC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1Cl	REAL300010823909	0	34	-1.0	-50.83	299.79	0.32	-50.51
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823910	0	40	-1.0	-53.16	352.91	2.56	-50.60
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])S1	REAL300010823910	1	39	-2.0	-97.64	349.61	1.43	-96.21
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823911	0	38	-1.0	-52.43	323.75	1.68	-50.75
CC(C)(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010823912	0	35	-1.0	-45.74	333.26	5.64	-40.10
CC(C)(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823913	0	36	-1.0	-48.28	324.14	5.77	-42.51
CC(C)(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010823914	0	29	-2.0	-118.07	292.25	2.04	-116.03
CC(C)(CNS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010823914	1	30	-1.0	-49.60	291.87	2.37	-47.23
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])N=C1	REAL300010823915	0	42	-1.0	-51.37	340.63	4.11	-47.26
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=CC=CN=C12	REAL300010823916	0	39	-1.0	-50.67	327.25	4.82	-45.85
COC(=O)C1=NC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C	REAL300010823917	0	39	-1.0	-47.02	337.76	2.88	-44.14
CC(C)(CNS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010823918	0	34	-1.0	-50.75	308.53	5.40	-45.35
CC(C)(CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010823919	0	38	-1.0	-47.43	319.57	3.69	-43.74
CC(C)(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010823920	0	38	-1.0	-49.47	326.22	4.78	-44.69
CC(C)(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010823921	0	33	-1.0	-51.43	296.42	2.65	-48.78
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=NN1C(C)C	REAL300010823922	0	40	-1.0	-52.18	334.24	3.32	-48.86
CC(C)(CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010823923	0	38	-1.0	-47.76	330.83	5.71	-42.05
CC(C)(CNS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010823924	0	33	-1.0	-48.58	298.32	2.54	-46.04
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=C1NCCC2	REAL300010823925	0	43	-1.0	-48.48	339.81	4.49	-43.99
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300010823926	0	45	-1.0	-48.38	379.77	7.08	-41.30
CC(C)(CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010823927	0	38	-1.0	-49.08	332.50	5.75	-43.33
CC(C)(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010823928	0	28	-1.0	-47.68	267.39	2.60	-45.08
CC(C)(CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010823929	0	35	-1.0	-52.43	314.38	3.66	-48.77
CC1=CC(Br)=NC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823930	0	33	-1.0	-47.92	302.12	3.12	-44.80
CC(C)(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010823931	0	36	-1.0	-54.59	304.26	4.20	-50.39
CC1=CC=C(I)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823932	0	34	-1.0	-48.14	314.30	5.43	-42.71
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823933	0	40	-1.0	-53.23	338.00	5.35	-47.88
CC(C)(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010823934	0	42	-1.0	-49.64	354.61	7.65	-41.99
CC(C)(CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010823935	0	34	-1.0	-50.71	301.42	4.14	-46.57
CC(C)(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010823936	0	30	-1.0	-45.75	287.30	2.32	-43.43
CC(C)(CNS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823937	0	33	-1.0	-51.76	293.58	3.07	-48.69
CC(C)(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010823937	1	32	-2.0	-122.45	296.63	2.50	-119.95
CC(C)(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010823938	0	34	-1.0	-45.07	302.43	3.24	-41.83
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823939	0	39	-1.0	-54.16	329.24	-0.68	-54.84
CC1=NC(S(=O)(=O)NCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010823940	0	33	-1.0	-45.91	305.96	2.75	-43.16
CC(C)(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010823941	0	29	-2.0	-110.21	298.83	2.60	-107.61
CC(C)(CNS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010823941	1	30	-1.0	-47.73	299.03	2.91	-44.82
CC(C)(CNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010823942	0	35	-1.0	-58.68	316.86	2.83	-55.85
CC(C)(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010823943	0	35	-1.0	-48.16	308.71	4.78	-43.38
CC(C)(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010823944	0	35	-1.0	-47.83	319.61	5.22	-42.61
CC(C)(CNS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010823945	0	40	-1.0	-53.84	351.07	3.08	-50.76
CC(C)(CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010823946	0	38	-1.0	-51.04	325.37	5.89	-45.15
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010823947	0	34	-1.0	-50.73	306.02	4.64	-46.09
CC(C)(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010823948	0	35	-1.0	-47.43	314.63	3.07	-44.36
COC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C(C(F)F)=C1	REAL300010823949	0	38	-1.0	-47.38	321.85	4.15	-43.23
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C1C(=O)OC	REAL300010823950	0	44	-1.0	-49.49	374.35	5.15	-44.34
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2C1	REAL300010823951	0	44	-1.0	-50.00	370.27	6.04	-43.96
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823952	0	37	-1.0	-45.15	328.21	1.66	-43.49
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823953	0	37	-1.0	-46.54	337.57	5.59	-40.95
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823953	1	36	-2.0	-115.06	339.10	5.34	-109.72
COC(=O)C1=CC=NC=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823954	0	36	-1.0	-50.89	310.61	3.23	-47.66
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823955	0	37	-1.0	-57.10	319.48	4.76	-52.34
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-]	REAL300010823955	1	36	-2.0	-131.94	323.96	4.81	-127.13
CC(C)(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010823956	0	36	-1.0	-49.94	307.61	3.96	-45.98
CC(C)(CNS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010823957	0	31	-1.0	-46.76	292.19	4.80	-41.96
CCOC1=CC=CN=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823958	0	37	-1.0	-55.63	312.74	2.92	-52.71
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010823959	0	42	-1.0	-51.71	367.61	4.52	-47.19
CC1=CC=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300010823960	0	39	-1.0	-55.21	320.35	5.18	-50.03
CC(C)(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010823961	0	26	-2.0	-103.35	275.29	1.62	-101.73
CC(C)(CNS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010823961	1	27	-1.0	-44.29	274.90	1.93	-42.36
CC(C)(CNS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010823962	0	33	-1.0	-48.81	307.35	2.02	-46.79
CC1=CC(Cl)=CN=C1S(=O)(=O)NCC(C)(C)C(=O)[O-]	REAL300010823963	0	33	-1.0	-50.49	298.77	2.96	-47.53
CC(C)(CNS(=O)(=O)C1=NC=CC=C1C(F)F)C(=O)[O-]	REAL300010823964	0	33	-1.0	-57.68	287.26	2.98	-54.70
CC1=C(S(=O)(=O)NCC(C)(C)C(=O)[O-])C=C(Cl)S1	REAL300010823965	0	31	-1.0	-47.22	296.73	3.97	-43.25
CC(C)(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300010823966	0	33	-1.0	-53.84	301.97	2.49	-51.35
CC(C)(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010823967	0	38	-1.0	-52.89	336.03	4.16	-48.73
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300010823968	0	44	-1.0	-50.41	359.90	5.52	-44.89
CC(C)(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010823969	0	35	-2.0	-107.49	319.43	3.48	-104.01
CC(C)(CNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010823969	1	36	-1.0	-46.87	322.02	2.53	-44.34
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=CN=C1Cl	REAL300010823970	0	30	-1.0	-58.80	292.14	5.55	-53.25
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010823971	0	31	-1.0	-60.65	301.66	7.38	-53.27
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=CC=C1Br	REAL300010823972	0	31	-1.0	-61.28	289.07	7.30	-53.98
CC1=CC(C)=C(C)C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=C1C	REAL300010823973	0	43	-1.0	-61.61	345.15	9.26	-52.35
COC(=O)C1=CC=CC=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010823974	0	37	-1.0	-74.25	326.99	8.05	-66.20
CCOC(=O)C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823975	0	40	-1.0	-59.48	356.19	8.40	-51.08
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010823976	0	31	-1.0	-59.01	303.05	7.71	-51.30
COC1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010823977	0	37	-1.0	-65.06	335.64	7.49	-57.57
CC(C)(C)C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823978	0	43	-1.0	-60.65	356.31	9.08	-51.57
CC(C)C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823979	0	40	-1.0	-60.78	340.33	8.68	-52.10
CCC(C)C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823980	0	43	-1.0	-60.74	358.80	9.34	-51.40
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823981	0	42	-1.0	-62.09	375.67	4.76	-57.33
CC1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])S1	REAL300010823982	0	31	-1.0	-60.97	293.54	6.65	-54.32
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010823983	0	35	-1.0	-62.60	315.85	3.57	-59.03
CC(=O)NCC1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823984	0	41	-1.0	-64.20	361.76	5.84	-58.36
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010823985	0	33	-1.0	-56.58	319.47	8.09	-48.49
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010823986	0	31	-1.0	-63.57	301.04	7.89	-55.68
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)S1	REAL300010823987	0	28	-1.0	-56.81	288.79	6.48	-50.33
CCCC1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823988	0	40	-1.0	-61.15	344.52	8.97	-52.18
COC1=CC=CC=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010823989	0	35	-1.0	-65.79	304.85	6.86	-58.93
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)OC1=CC=CC=C1CC(=O)[O-]	REAL300010823990	0	42	-1.0	-68.93	363.57	5.65	-63.28
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010823991	0	31	-1.0	-57.04	296.50	7.00	-50.04
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010823992	0	31	-1.0	-55.43	314.22	7.82	-47.61
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=CC=C1Cl	REAL300010823993	0	31	-1.0	-61.71	286.91	7.24	-54.47
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010823994	0	31	-1.0	-68.43	288.27	7.00	-61.43
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010823995	0	30	-1.0	-55.13	292.20	5.35	-49.78
N#CC1=CC=CC(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=C1	REAL300010823996	0	32	-1.0	-63.46	301.20	7.15	-56.31
N#CC1=CC=C(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])C=C1	REAL300010823997	0	32	-1.0	-59.28	300.92	7.14	-52.14
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010823998	0	31	-1.0	-60.84	300.43	7.45	-53.39
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010823999	0	34	-1.0	-61.43	323.66	8.47	-52.96
CC1=CC(S(=O)(=O)OC2=CC=CC=C2CC(=O)[O-])=CC=C1Br	REAL300010824000	0	34	-1.0	-57.53	319.72	7.92	-49.61
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1F	REAL300010833128	0	35	-1.0	-49.58	306.11	3.21	-46.37
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010833129	0	35	-1.0	-53.29	321.29	3.53	-49.76
COC(=O)C1CCCCC1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833130	0	40	-1.0	-51.89	328.76	4.63	-47.26
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833131	0	43	-1.0	-49.98	349.69	3.99	-45.99
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833132	0	36	-1.0	-50.60	329.15	5.14	-45.46
CC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833133	0	35	-1.0	-54.75	312.97	1.87	-52.88
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833134	0	36	-1.0	-49.10	315.93	5.03	-44.07
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010833135	0	33	-1.0	-49.58	308.04	3.48	-46.10
O=C([O-])CCCNS(=O)(=O)C1=CC=C(I)C=C1	REAL300010833136	0	28	-1.0	-46.96	284.68	4.08	-42.88
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010833137	0	25	-1.0	-47.85	261.30	1.71	-46.14
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010833137	1	24	-2.0	-100.68	259.05	1.33	-99.35
COC1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833138	0	32	-1.0	-48.07	307.71	2.91	-45.16
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN1C	REAL300010833139	0	38	-1.0	-53.75	339.96	4.01	-49.74
O=C([O-])CCCNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010833140	0	41	-1.0	-59.15	368.52	4.08	-55.07
CCC1=NOC2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300010833141	0	35	-1.0	-51.77	318.15	0.70	-51.07
O=C([O-])CCCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010833142	0	40	-1.0	-51.70	341.30	4.42	-47.28
O=C([O-])CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010833143	0	35	-1.0	-50.83	314.18	4.67	-46.16
CSC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833144	0	32	-1.0	-48.85	312.13	4.46	-44.39
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833145	0	30	-1.0	-49.10	296.21	3.36	-45.74
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC(=O)[O-]	REAL300010833146	0	38	-1.0	-59.72	340.23	-0.45	-60.17
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C1Cl	REAL300010833147	0	31	-1.0	-48.08	297.75	0.94	-47.14
CCN1C(=O)OC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833148	0	37	-1.0	-53.78	332.85	3.94	-49.84
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010833149	0	43	-1.0	-51.84	370.68	3.42	-48.42
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833150	0	46	0.0	-78.40	373.37	4.18	-74.22
CC1=CC(Br)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833151	0	31	-1.0	-46.67	292.91	4.49	-42.18
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010833152	0	32	-1.0	-55.82	295.33	3.04	-52.78
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833153	0	34	-1.0	-48.76	333.77	4.43	-44.33
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833153	1	33	-2.0	-103.19	331.57	4.05	-99.14
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010833154	0	28	-1.0	-45.10	294.72	4.11	-40.99
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010833154	1	27	-2.0	-97.51	303.92	4.26	-93.25
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010833155	0	28	-1.0	-47.60	276.48	3.35	-44.25
COC1=CC=CC(OC)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833156	0	36	-1.0	-54.06	310.90	3.50	-50.56
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1C	REAL300010833157	0	55	-1.0	-49.63	444.24	7.59	-42.04
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010833158	0	37	-1.0	-49.58	318.97	4.41	-45.17
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833159	0	42	-1.0	-52.56	371.18	4.12	-48.44
N#CC1=CC=C(Cl)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833160	0	29	-1.0	-49.70	279.36	3.42	-46.28
O=C([O-])CCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010833161	0	31	-1.0	-53.88	300.87	2.04	-51.84
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010833162	0	43	-1.0	-61.11	363.04	4.08	-57.03
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010833163	0	34	-1.0	-48.48	324.11	5.86	-42.62
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CCCC(=O)[O-])S1	REAL300010833164	0	30	-2.0	-98.08	322.87	2.97	-95.11
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833164	1	31	-1.0	-47.29	320.78	3.15	-44.14
COC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833165	0	36	-1.0	-52.50	324.08	1.20	-51.30
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010833167	0	31	-1.0	-46.34	312.39	4.50	-41.84
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833168	0	39	-1.0	-53.25	322.87	0.97	-52.28
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833169	0	33	-1.0	-49.57	316.02	5.00	-44.57
COC1=C(F)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833170	0	34	-1.0	-48.93	320.39	3.81	-45.12
COC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833171	0	38	-1.0	-50.63	347.62	2.34	-48.29
O=C([O-])CCCNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010833172	0	39	-1.0	-59.19	355.82	4.80	-54.39
COC1=CC=C(CCS(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833173	0	38	-1.0	-52.09	331.68	3.79	-48.30
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010833174	0	46	-1.0	-51.38	391.22	5.56	-45.82
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010833175	0	43	-1.0	-52.25	372.26	4.39	-47.86
O=C([O-])CCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010833176	0	39	-1.0	-52.75	338.07	4.32	-48.43
CC1=CC=NC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C12	REAL300010833177	0	36	-1.0	-54.63	307.12	4.64	-49.99
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(OC)C=C1Br	REAL300010833178	0	36	-1.0	-48.92	327.30	2.78	-46.14
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010833179	0	31	-1.0	-47.72	293.92	3.73	-43.99
CC1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833180	0	31	-1.0	-47.74	299.63	4.26	-43.48
CC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833181	0	35	-1.0	-51.87	331.21	2.63	-49.24
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833182	0	39	-1.0	-60.47	337.64	2.95	-57.52
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010833183	0	40	-1.0	-54.23	329.54	1.84	-52.39
O=C([O-])CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010833184	0	34	-1.0	-50.52	337.38	1.11	-49.41
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010833185	0	28	-1.0	-47.22	293.20	4.08	-43.14
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010833185	1	27	-2.0	-99.49	302.38	4.22	-95.27
O=C([O-])CCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010833186	0	36	-1.0	-50.15	326.36	4.25	-45.90
COC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833187	0	38	-1.0	-50.63	347.62	2.34	-48.29
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010833188	0	31	-1.0	-52.22	303.27	4.27	-47.95
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300010833189	0	38	-1.0	-50.91	332.13	3.46	-47.45
COC(=O)C1=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=CS1	REAL300010833190	0	34	-1.0	-52.42	311.73	4.24	-48.18
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833191	0	39	-1.0	-53.03	346.99	3.07	-49.96
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833192	0	42	-1.0	-50.75	364.47	4.19	-46.56
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010833193	0	42	-1.0	-49.55	363.80	6.36	-43.19
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833194	0	36	-1.0	-53.01	329.31	5.13	-47.88
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010833195	0	28	-1.0	-45.80	291.29	3.81	-41.99
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010833195	1	27	-2.0	-99.88	296.30	3.75	-96.13
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833196	0	40	0.0	-77.74	335.34	4.89	-72.85
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2O1	REAL300010833197	0	43	-1.0	-50.35	380.63	5.65	-44.70
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833198	0	40	-1.0	-52.60	348.22	5.46	-47.14
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010833199	0	28	-1.0	-47.88	280.66	3.59	-44.29
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010833199	1	27	-2.0	-99.56	289.84	3.74	-95.82
CC1=CC=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010833200	0	36	-1.0	-55.61	313.09	5.96	-49.65
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010833201	0	34	-1.0	-50.13	317.93	4.78	-45.35
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010833202	0	38	-1.0	-46.69	342.56	5.96	-40.73
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833203	0	31	-1.0	-46.73	298.70	4.56	-42.17
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833204	0	36	-1.0	-51.55	315.63	5.06	-46.49
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010833205	0	28	-1.0	-49.04	288.21	4.17	-44.87
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010833206	0	30	-1.0	-47.79	301.42	5.12	-42.67
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010833206	1	29	-2.0	-102.71	300.20	4.87	-97.84
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010833207	0	38	-1.0	-46.69	342.56	5.96	-40.73
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010833208	0	28	-1.0	-46.98	293.05	4.05	-42.93
O=C([O-])CCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010833209	0	39	-1.0	-50.74	353.45	2.81	-47.93
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010833210	0	27	-2.0	-103.40	275.76	3.02	-100.38
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833211	0	38	-1.0	-51.00	315.89	4.54	-46.46
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833212	0	34	-1.0	-51.49	316.24	3.67	-47.82
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833213	0	32	-1.0	-49.50	294.17	3.33	-46.17
O=C([O-])CCCNS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010833214	0	29	-1.0	-50.09	284.41	1.75	-48.34
O=C([O-])CCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010833215	0	41	-1.0	-52.10	345.66	6.28	-45.82
CC(C)(C)C1=CC(CS(=O)(=O)NCCCC(=O)[O-])=NO1	REAL300010833216	0	39	-1.0	-53.43	338.80	3.70	-49.73
O=C([O-])CCCNC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010833217	0	45	-1.0	-47.57	353.02	9.09	-38.48
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C12	REAL300010833218	0	42	-1.0	-49.58	351.34	5.19	-44.39
COC(=O)C1=CN=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833219	0	33	-1.0	-50.47	306.87	1.83	-48.64
N#CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833220	0	29	-1.0	-49.01	297.42	3.88	-45.13
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010833221	0	30	-1.0	-46.12	299.32	4.08	-42.04
O=C([O-])CCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010833221	1	29	-2.0	-95.41	308.47	4.22	-91.19
COC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833222	0	35	-1.0	-48.94	317.98	3.62	-45.32
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833223	0	34	-1.0	-47.41	330.86	3.61	-43.80
COC1=CC(Cl)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OC	REAL300010833224	0	36	-1.0	-49.13	317.26	2.24	-46.89
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010833225	0	32	-1.0	-50.09	302.40	2.63	-47.46
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010833226	0	31	-1.0	-47.87	301.25	4.04	-43.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300010833227	0	39	-1.0	-53.72	348.79	-0.06	-53.78
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2S1	REAL300010833228	0	40	-1.0	-50.78	371.55	6.03	-44.75
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010833229	0	34	-1.0	-56.31	307.68	2.39	-53.92
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=N1	REAL300010833230	0	33	-1.0	-57.68	313.69	-1.41	-59.09
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833231	0	34	-1.0	-50.73	309.89	3.39	-47.34
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833232	0	36	-1.0	-54.68	321.59	4.31	-50.37
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(Br)=C1	REAL300010833233	0	32	-1.0	-48.95	302.85	3.02	-45.93
CC1=CC2=C(C=C1S(=O)(=O)NCCCC(=O)[O-])OCO2	REAL300010833234	0	34	-1.0	-49.38	297.70	2.56	-46.82
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010833235	0	34	-1.0	-48.40	323.89	4.13	-44.27
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833236	0	34	-1.0	-52.05	299.04	4.09	-47.96
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010833237	0	28	-1.0	-46.90	275.31	3.54	-43.36
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010833238	0	28	-1.0	-47.29	290.12	4.24	-43.05
COC1=CC2=C(C=C1S(=O)(=O)NCCCC(=O)[O-])OCC(=O)N2	REAL300010833239	0	38	-1.0	-52.30	328.10	0.03	-52.27
O=C([O-])CCC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010833240	0	29	-2.0	-98.04	304.57	3.84	-94.20
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010833240	1	30	-1.0	-46.33	299.58	3.90	-42.43
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010833241	0	30	-1.0	-46.26	295.85	3.78	-42.48
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010833241	1	29	-2.0	-94.50	300.83	3.72	-90.78
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010833242	0	28	-1.0	-45.65	285.42	4.30	-41.35
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010833242	1	27	-2.0	-99.11	284.69	3.99	-95.12
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010833243	0	29	-1.0	-52.70	275.26	1.37	-51.33
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010833244	0	31	-1.0	-47.54	312.45	4.73	-42.81
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010833245	0	28	-1.0	-50.28	275.79	3.34	-46.94
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OC	REAL300010833246	0	38	-1.0	-51.79	339.01	3.69	-48.10
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010833247	0	28	-1.0	-46.66	290.11	4.23	-42.43
CC(=O)NC1=NC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833248	0	31	-1.0	-56.14	301.87	0.48	-55.66
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833248	1	30	-2.0	-91.35	298.57	-0.65	-92.00
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010833249	0	31	-1.0	-51.69	301.97	4.31	-47.38
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833250	0	32	-1.0	-53.38	308.17	0.27	-53.11
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833251	0	37	-1.0	-54.17	322.79	5.42	-48.75
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833252	0	36	-1.0	-52.93	295.68	0.21	-52.72
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833253	0	32	-1.0	-53.21	312.74	0.38	-52.83
CC1(C)CC2=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C2O1	REAL300010833254	0	39	-1.0	-51.80	328.16	4.25	-47.55
N#CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010833255	0	32	-1.0	-50.47	313.59	4.17	-46.30
COC1=CC=C(Br)C(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833256	0	35	-1.0	-51.82	326.86	3.56	-48.26
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010833257	0	31	-1.0	-49.28	317.72	4.49	-44.79
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833258	0	29	-1.0	-53.73	282.19	3.23	-50.50
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833259	0	29	-1.0	-50.83	283.78	3.34	-47.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833260	0	34	-1.0	-46.85	310.35	4.87	-41.98
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833261	0	45	-1.0	-53.89	393.71	2.70	-51.19
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010833262	0	34	-1.0	-53.64	306.70	4.03	-49.61
COCCOCCOCCS(=O)(=O)NCCCC(=O)[O-]	REAL300010833263	0	42	-1.0	-53.56	365.39	0.29	-53.27
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833264	0	38	-1.0	-57.77	338.13	0.33	-57.44
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010833265	0	27	-2.0	-107.49	277.04	3.47	-104.02
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010833265	1	28	-1.0	-50.03	279.27	3.83	-46.20
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2CC1	REAL300010833266	0	45	-1.0	-53.71	369.65	4.93	-48.78
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(F)(F)F	REAL300010833267	0	37	-1.0	-51.38	341.87	4.45	-46.93
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300010833268	0	38	-1.0	-49.31	350.76	4.60	-44.71
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833269	0	37	-1.0	-48.82	322.97	5.24	-43.58
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833270	0	37	-1.0	-48.61	318.80	4.95	-43.66
CNC(=O)C1=CC=C(CS(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833271	0	38	-1.0	-57.34	337.15	1.98	-55.36
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833272	0	42	-1.0	-53.54	365.68	3.92	-49.62
O=C([O-])CCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010833273	0	41	-1.0	-53.45	357.70	4.54	-48.91
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(F)C=C1Cl	REAL300010833274	0	37	-1.0	-47.70	344.30	4.70	-43.00
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(F)C=C1Cl	REAL300010833274	1	36	-2.0	-100.95	349.32	4.65	-96.30
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010833275	0	30	-1.0	-49.92	302.98	4.76	-45.16
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010833275	1	29	-2.0	-102.99	302.23	4.45	-98.54
O=C([O-])CCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010833276	0	37	-1.0	-59.59	318.05	0.16	-59.43
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833277	0	35	-2.0	-105.52	322.91	4.12	-101.40
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300010833278	0	39	-1.0	-52.91	352.43	2.78	-50.13
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(F)C=C1C	REAL300010833279	0	40	-1.0	-48.66	347.80	4.85	-43.81
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833280	0	42	-1.0	-56.97	368.46	1.18	-55.79
COCC1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833281	0	39	-1.0	-51.83	332.51	2.53	-49.30
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833282	0	41	-1.0	-53.64	353.96	4.38	-49.26
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1C	REAL300010833283	0	40	-1.0	-49.80	349.62	5.09	-44.71
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833284	0	40	-1.0	-53.60	355.73	5.35	-48.25
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833285	0	34	-1.0	-49.90	329.17	5.67	-44.23
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833285	1	33	-2.0	-110.64	332.01	5.22	-105.42
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010833286	0	31	-1.0	-48.40	298.53	5.09	-43.31
CC(COC1CCCC1)CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833287	0	44	-1.0	-50.85	357.73	4.35	-46.50
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010833288	0	34	-1.0	-50.95	318.90	5.00	-45.95
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833289	0	37	-1.0	-51.58	331.78	4.30	-47.28
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010833290	0	38	-1.0	-50.36	331.12	6.40	-43.96
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833291	0	42	-1.0	-53.00	376.05	0.78	-52.22
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300010833292	0	31	-1.0	-51.17	297.46	4.26	-46.91
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN1C	REAL300010833293	0	40	-1.0	-52.59	358.94	4.18	-48.41
CS(=O)(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Cl	REAL300010833294	0	34	-1.0	-54.28	327.44	0.90	-53.38
O=C([O-])CCCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010833295	0	32	-1.0	-50.78	304.68	3.86	-46.92
CC1=NC(S(=O)(=O)NCCCC(=O)[O-])=C(Br)N1C	REAL300010833296	0	31	-1.0	-52.65	297.31	2.55	-50.10
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(Br)N1C	REAL300010833296	1	30	-2.0	-114.80	295.29	2.06	-112.74
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833297	0	41	-1.0	-57.73	349.06	3.82	-53.91
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010833298	0	31	-2.0	-90.27	294.13	2.59	-87.68
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010833298	1	32	-1.0	-48.86	305.40	1.71	-47.15
O=C([O-])CCCNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010833299	0	45	-1.0	-57.60	401.81	3.39	-54.21
N#CC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833300	0	29	-1.0	-47.13	295.61	3.63	-43.50
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C=C1Br	REAL300010833300	1	28	-2.0	-97.61	300.65	3.57	-94.04
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833301	0	39	-1.0	-52.72	348.43	2.36	-50.36
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010833302	0	43	-1.0	-49.86	369.85	5.81	-44.05
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833303	0	40	-1.0	-55.12	360.58	2.20	-52.92
COCCOC1=C(Cl)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833304	0	39	-1.0	-48.61	377.88	3.71	-44.90
O=C([O-])CCCNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010833305	0	33	-1.0	-51.79	303.35	0.18	-51.61
COC(=O)C1(CS(=O)(=O)NCCCC(=O)[O-])CCCC1	REAL300010833306	0	40	-1.0	-55.00	331.37	4.04	-50.96
O=C([O-])CCCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010833307	0	27	-1.0	-46.45	288.21	2.16	-44.29
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833308	0	35	-1.0	-48.60	328.71	3.21	-45.39
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833309	0	37	-1.0	-50.88	345.14	5.42	-45.46
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010833310	0	34	-1.0	-47.21	311.35	4.50	-42.71
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010833311	0	39	-1.0	-48.42	362.33	6.35	-42.07
COC(=O)CC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833312	0	37	-1.0	-53.85	333.87	4.42	-49.43
O=C([O-])CCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010833313	0	30	-1.0	-52.91	281.25	2.74	-50.17
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010833314	0	34	-1.0	-50.91	318.37	4.92	-45.99
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010833315	0	28	-1.0	-47.04	289.48	3.18	-43.86
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833316	0	32	-1.0	-54.10	305.37	3.98	-50.12
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1I	REAL300010833317	0	31	-1.0	-48.13	302.27	4.62	-43.51
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833318	0	41	-1.0	-52.63	366.76	3.35	-49.28
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833319	0	44	-1.0	-52.28	388.63	4.28	-48.00
COC(=O)C1(CS(=O)(=O)NCCCC(=O)[O-])CCCCC1	REAL300010833320	0	43	-1.0	-54.26	343.09	4.47	-49.79
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C1C	REAL300010833321	0	36	-1.0	-48.50	323.17	2.33	-46.17
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010833322	0	32	-1.0	-49.97	300.96	2.53	-47.44
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833323	0	37	-1.0	-49.25	350.30	5.07	-44.18
O=C([O-])CCCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010833324	0	44	-1.0	-58.00	390.02	4.86	-53.14
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010833325	0	30	-1.0	-48.89	294.29	2.27	-46.62
O=C([O-])CCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010833326	0	37	-1.0	-51.31	321.72	4.58	-46.73
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010833327	0	29	-1.0	-51.12	284.70	2.24	-48.88
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010833328	0	34	-1.0	-53.02	312.84	4.57	-48.45
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010833329	0	31	-1.0	-52.52	296.38	1.94	-50.58
CN1C=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300010833329	1	30	-2.0	-106.72	293.31	1.46	-105.26
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010833330	0	30	-1.0	-47.96	297.01	5.02	-42.94
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010833330	1	29	-2.0	-102.70	295.79	4.78	-97.92
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(F)C=C1C	REAL300010833331	0	37	-1.0	-48.93	325.94	3.92	-45.01
CC1=CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2N=C1Cl	REAL300010833332	0	36	-1.0	-50.08	333.40	4.37	-45.71
O=C([O-])CCCNS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010833333	0	38	-1.0	-51.17	336.20	3.75	-47.42
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C(C)C)=C1	REAL300010833334	0	55	-1.0	-46.73	415.19	8.83	-37.90
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010833335	0	33	-1.0	-51.31	303.71	4.53	-46.78
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833336	0	40	-1.0	-54.02	357.35	5.29	-48.73
COC(=O)C1=NC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833337	0	33	-1.0	-54.43	296.95	2.69	-51.74
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833338	0	35	-1.0	-48.16	325.14	3.28	-44.88
COC1=CC=C2C=C(S(=O)(=O)NCCCC(=O)[O-])CCC2=C1	REAL300010833339	0	40	-1.0	-49.70	340.85	4.68	-45.02
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010833340	0	31	-1.0	-49.00	293.09	3.44	-45.56
O=C([O-])CCC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010833340	1	30	-2.0	-103.51	290.85	3.08	-100.43
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010833341	0	31	-1.0	-49.20	308.22	5.04	-44.16
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010833341	1	30	-2.0	-109.23	305.97	4.67	-104.56
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833342	0	42	-1.0	-56.78	371.67	1.13	-55.65
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833342	1	41	-2.0	-95.78	368.42	1.21	-94.57
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010833343	0	31	-1.0	-52.13	307.69	4.36	-47.77
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833344	0	37	-1.0	-62.04	341.36	1.21	-60.83
CC1=CC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C=C1	REAL300010833345	0	37	-1.0	-49.75	324.21	5.91	-43.84
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833346	0	37	-1.0	-49.32	340.23	4.96	-44.36
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010833347	0	43	-1.0	-56.63	378.53	3.54	-53.09
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833348	0	41	-1.0	-53.94	353.36	3.34	-50.60
O=C([O-])CCCNS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010833349	0	31	-1.0	-52.10	299.56	4.17	-47.93
O=C([O-])CCCNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010833350	0	34	-1.0	-51.30	300.06	4.98	-46.32
CCC1=CC(CC)=C(S(=O)(=O)NCCCC(=O)[O-])C(CC)=C1	REAL300010833351	0	46	-1.0	-47.20	356.88	7.71	-39.49
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C12	REAL300010833352	0	47	-1.0	-51.30	398.42	3.75	-47.55
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010833353	0	35	-1.0	-53.54	312.91	2.74	-50.80
O=C([O-])CCCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010833354	0	30	-1.0	-49.81	305.07	2.90	-46.91
COC1=CC(OC)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833355	0	36	-1.0	-50.27	322.99	2.69	-47.58
O=C([O-])CCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010833356	0	36	-1.0	-51.81	328.07	1.54	-50.27
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833357	0	33	-1.0	-55.54	311.10	-2.06	-57.60
CC(C)(CCS(=O)(=O)NCCCC(=O)[O-])S(C)(=O)=O	REAL300010833358	0	39	-1.0	-59.67	330.16	0.10	-59.57
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Cl	REAL300010833359	0	32	-1.0	-47.95	302.46	2.84	-45.11
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010833360	0	31	-1.0	-50.41	286.86	0.23	-50.18
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833361	0	41	-1.0	-53.32	352.74	4.40	-48.92
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010833362	0	37	-1.0	-48.72	327.98	5.98	-42.74
O=C([O-])CCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010833363	0	32	-1.0	-48.48	293.59	3.15	-45.33
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010833364	0	32	-1.0	-48.27	303.91	3.60	-44.67
COC(=O)CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833365	0	37	-1.0	-53.43	339.33	4.47	-48.96
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833366	0	41	-1.0	-53.55	348.28	4.92	-48.63
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010833367	0	31	-1.0	-50.05	315.46	4.75	-45.30
O=C([O-])CCCNS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010833368	0	31	-1.0	-49.71	314.11	4.76	-44.95
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010833369	0	31	-1.0	-48.17	296.52	2.08	-46.09
CCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833370	0	36	-1.0	-51.91	319.34	4.80	-47.11
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833371	0	44	-1.0	-50.35	353.55	5.12	-45.23
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300010833372	0	35	-1.0	-51.04	332.35	5.36	-45.68
COC1=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833373	0	31	-1.0	-47.68	300.17	0.21	-47.47
CCOC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833374	0	37	-1.0	-50.39	331.75	4.32	-46.07
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833375	0	37	-1.0	-49.49	350.41	4.63	-44.86
CC1=CSC(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)=N1	REAL300010833376	0	37	-1.0	-50.16	343.16	4.45	-45.71
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1F	REAL300010833377	0	34	-1.0	-51.25	324.87	3.86	-47.39
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833377	1	33	-2.0	-108.63	329.80	3.79	-104.84
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833378	0	37	-1.0	-51.40	330.21	4.01	-47.39
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833379	0	34	-1.0	-51.00	313.11	4.86	-46.14
O=C([O-])CCCNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010833380	0	43	-1.0	-52.31	371.54	0.79	-51.52
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010833381	0	35	-1.0	-56.22	322.03	0.84	-55.38
CC1=C(S(=O)(=O)NCCCC(=O)[O-])SC(Br)=C1	REAL300010833382	0	28	-1.0	-46.36	286.81	3.53	-42.83
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010833383	0	37	-1.0	-51.52	318.68	3.33	-48.19
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833384	0	38	-1.0	-53.28	320.66	1.59	-51.69
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010833385	0	34	-1.0	-51.06	314.86	4.85	-46.21
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833386	0	32	-1.0	-47.53	304.43	3.48	-44.05
COC1=CC2=C(C=C1S(=O)(=O)NCCCC(=O)[O-])C(=O)NCCC2	REAL300010833387	0	43	-1.0	-56.76	353.55	1.90	-54.86
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCCC(=O)[O-])S2)C1	REAL300010833388	0	39	-1.0	-53.28	347.27	3.44	-49.84
CC1=C(S(=O)(=O)NCCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010833389	0	35	-1.0	-50.01	327.16	5.26	-44.75
O=C([O-])CCCNS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010833390	0	31	-1.0	-49.99	303.77	4.33	-45.66
NC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(F)C=C1Br	REAL300010833391	0	32	-1.0	-49.70	305.90	0.14	-49.56
NC(=O)C1=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(F)C=C1Br	REAL300010833391	1	31	-2.0	-100.48	310.92	0.08	-100.40
O=C([O-])CCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010833392	0	31	-1.0	-50.40	300.55	4.20	-46.20
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010833393	0	28	-1.0	-46.13	294.94	4.12	-42.01
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833394	0	35	-1.0	-56.49	312.85	0.42	-56.07
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833395	0	53	-1.0	-48.43	437.27	7.91	-40.52
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833396	0	43	-1.0	-52.51	366.78	5.33	-47.18
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010833397	0	28	-1.0	-45.12	305.30	4.68	-40.44
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010833397	1	27	-2.0	-96.74	303.06	4.31	-92.43
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833398	0	38	-1.0	-48.95	342.08	5.16	-43.79
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010833399	0	28	-1.0	-47.32	283.93	3.65	-43.67
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833400	0	34	-1.0	-51.49	316.24	3.67	-47.82
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010833401	0	42	-1.0	-50.55	365.09	6.04	-44.51
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010833402	0	42	-1.0	-51.13	374.40	6.34	-44.79
O=C([O-])CCCNS(=O)(=O)C1=NC=CC=C1Br	REAL300010833403	0	27	-1.0	-51.31	265.92	2.03	-49.28
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010833403	1	26	-2.0	-111.85	267.20	1.40	-110.45
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCCC(=O)[O-])=C2)=N1	REAL300010833404	0	40	-1.0	-52.11	349.62	2.99	-49.12
COC(CS(=O)(=O)NCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010833405	0	38	-1.0	-51.58	338.73	4.10	-47.48
O=C([O-])CCCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010833406	0	40	-1.0	-52.36	340.98	4.42	-47.94
COC(=O)C1=C(S(=O)(=O)NCCCC(=O)[O-])N(C)N=C1	REAL300010833407	0	34	-1.0	-50.56	303.74	1.94	-48.62
COC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300010833408	0	36	-1.0	-49.84	338.82	1.88	-47.96
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C12	REAL300010833409	0	40	-1.0	-50.82	347.99	5.85	-44.97
COC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300010833410	0	39	-1.0	-52.31	342.63	2.17	-50.14
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1F	REAL300010833411	0	34	-1.0	-51.40	314.48	3.41	-47.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833411	1	33	-2.0	-108.14	319.48	3.35	-104.79
CC(=O)N1CCC2=CC(S(=O)(=O)NCCCC(=O)[O-])=C(Cl)C=C21	REAL300010833412	0	39	-1.0	-58.10	337.48	4.06	-54.04
CCC(C)OC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833413	0	41	-1.0	-49.94	346.95	4.64	-45.30
COC(CS(=O)(=O)NCCCC(=O)[O-])C1CCCCC1	REAL300010833414	0	44	-1.0	-50.68	348.60	4.01	-46.67
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300010833415	0	47	-1.0	-48.27	388.38	6.03	-42.24
O=C([O-])CCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010833416	0	31	-1.0	-57.00	306.38	2.79	-54.21
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010833417	0	36	-1.0	-50.33	320.05	5.45	-44.88
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010833418	0	41	-1.0	-48.50	357.88	5.31	-43.19
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCCC(=O)[O-])O1	REAL300010833419	0	34	-1.0	-49.58	314.35	2.35	-47.23
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCCC(=O)[O-])O1	REAL300010833419	1	33	-2.0	-102.00	312.11	1.99	-100.01
CCC1=NC(S(=O)(=O)NCCCC(=O)[O-])=CN1CC1CC1	REAL300010833420	0	41	-1.0	-53.62	349.02	4.90	-48.72
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833421	0	34	-1.0	-51.55	322.42	5.09	-46.46
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C1	REAL300010833422	0	39	-1.0	-55.41	340.36	3.45	-51.96
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833423	0	31	-1.0	-47.34	298.53	1.60	-45.74
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010833424	0	39	-1.0	-50.26	357.55	7.08	-43.18
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833425	0	31	-1.0	-46.80	298.70	4.55	-42.25
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010833426	0	38	-1.0	-52.21	323.02	6.39	-45.82
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010833427	0	48	-1.0	-49.68	412.26	7.88	-41.80
CC1=CC=C(Br)C(CS(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833428	0	34	-1.0	-50.85	318.80	4.92	-45.93
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833429	0	35	-1.0	-52.36	325.64	3.62	-48.74
O=C([O-])CCCNS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010833430	0	34	-1.0	-52.12	312.81	4.54	-47.58
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010833431	0	27	-1.0	-49.64	271.74	1.33	-48.31
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010833431	1	26	-2.0	-102.52	276.64	1.29	-101.23
CC(C)OC1=CN=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833432	0	37	-1.0	-47.90	321.36	2.03	-45.87
O=C([O-])CCCNS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010833433	0	34	-1.0	-55.67	300.36	1.07	-54.60
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010833434	0	35	-1.0	-49.90	332.46	2.28	-47.62
CCC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(C)C=C1OC	REAL300010833435	0	41	-1.0	-48.83	342.79	4.66	-44.17
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010833436	0	34	-1.0	-47.20	328.14	4.86	-42.34
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833437	0	36	-1.0	-52.01	327.40	3.98	-48.03
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833438	0	31	-1.0	-46.48	307.74	4.96	-41.52
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010833439	0	37	-1.0	-50.14	307.65	6.04	-44.10
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010833440	0	35	-1.0	-48.98	327.69	2.89	-46.09
CC1=CC2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C2NC1=O	REAL300010833441	0	37	-1.0	-52.49	327.98	2.72	-49.77
CC1=NC(S(=O)(=O)NCCCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010833442	0	37	-1.0	-52.34	337.16	4.60	-47.74
O=C([O-])CCCNS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010833443	0	28	-1.0	-51.82	273.43	0.61	-51.21
O=C([O-])CCC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010833443	1	27	-2.0	-103.60	270.35	0.14	-103.46
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010833444	0	33	-1.0	-48.00	299.39	3.91	-44.09
O=C([O-])CCCNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010833445	0	34	-1.0	-50.60	312.07	4.17	-46.43
C[NH+]1CCN(CCCS(=O)(=O)NCCCC(=O)[O-])CC1	REAL300010833446	0	45	0.0	-75.79	358.72	2.20	-73.59
CN1CCN(CCCS(=O)(=O)NCCCC(=O)[O-])CC1	REAL300010833446	1	44	-1.0	-51.32	354.65	-0.30	-51.62
CN1N=CC(S(=O)(=O)NCCCC(=O)[O-])=C1Br	REAL300010833447	0	28	-1.0	-47.87	270.23	0.71	-47.16
O=C([O-])CCCNS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010833448	0	37	-1.0	-49.29	350.78	5.16	-44.13
CN1N=CC(S(=O)(=O)NCCCC(=O)[O-])=C1I	REAL300010833449	0	28	-1.0	-47.10	273.75	1.04	-46.06
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833450	0	32	-1.0	-50.20	290.23	4.05	-46.15
CC(C)OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=N1	REAL300010833451	0	37	-1.0	-48.51	326.09	1.54	-46.97
CCCCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=N1	REAL300010833452	0	40	-1.0	-50.49	347.07	3.67	-46.82
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(OC)C=C1F	REAL300010833453	0	38	-1.0	-50.95	336.61	3.49	-47.46
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833454	0	38	-1.0	-54.23	330.52	3.77	-50.46
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300010833455	0	44	-1.0	-48.65	366.88	5.23	-43.42
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833456	0	40	-1.0	-48.14	335.15	5.25	-42.89
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010833457	0	31	-1.0	-50.42	300.57	4.20	-46.22
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010833458	0	47	-1.0	-51.05	382.53	7.51	-43.54
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833459	0	33	-1.0	-51.62	319.98	3.16	-48.46
O=C([O-])CCCNS(=O)(=O)C1=C(Br)NC=N1	REAL300010833460	0	25	-1.0	-51.98	255.19	1.08	-50.90
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010833460	1	24	-2.0	-111.49	255.13	0.55	-110.94
O=C([O-])CCCNS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010833461	0	36	-1.0	-55.48	325.53	3.83	-51.65
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010833462	0	27	-1.0	-46.81	270.55	1.66	-45.15
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010833462	1	26	-2.0	-99.16	279.71	1.82	-97.34
COC1=NC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833463	0	31	-1.0	-47.64	296.61	0.79	-46.85
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010833464	0	33	-1.0	-51.11	312.42	3.83	-47.28
O=C([O-])CCCNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010833465	0	30	-1.0	-48.36	296.67	2.85	-45.51
O=C([O-])CCCNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010833466	0	38	-1.0	-51.24	341.72	3.62	-47.62
CC1(CS(=O)(=O)NCCCC(=O)[O-])CC1(Cl)Cl	REAL300010833467	0	31	-1.0	-48.96	298.64	3.82	-45.14
O=C([O-])CCCNS(=O)(=O)CC1=C(Br)SC=N1	REAL300010833468	0	27	-1.0	-51.86	285.17	1.34	-50.52
O=C([O-])CCCNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010833469	0	30	-1.0	-49.87	310.40	3.08	-46.79
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010833470	0	30	-1.0	-52.11	290.74	4.28	-47.83
CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCC(=O)[O-])C1	REAL300010833471	0	39	-1.0	-58.69	342.53	-0.43	-59.12
O=C([O-])CCCNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010833472	0	29	-1.0	-48.76	302.08	2.09	-46.67
COC(=O)C1=CC=C(CS(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833473	0	37	-1.0	-54.37	335.48	4.36	-50.01
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010833474	0	30	-2.0	-108.40	302.25	3.76	-104.64
O=C([O-])CCCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010833474	1	31	-1.0	-49.34	303.50	4.04	-45.30
CN1N=CC(S(=O)(=O)NCCCC(=O)[O-])=C1C(F)(F)F	REAL300010833475	0	31	-1.0	-48.50	290.55	1.71	-46.79
CN1N=CC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1C(F)(F)F	REAL300010833475	1	30	-2.0	-101.69	287.83	1.25	-100.44
CN1N=C2CCCCC2=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833476	0	38	-1.0	-48.03	315.89	3.02	-45.01
O=C([O-])CCCNS(=O)(=O)C1=CSC=C1Br	REAL300010833477	0	25	-1.0	-48.16	253.91	2.05	-46.11
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C(C)(C)C)=N1	REAL300010833478	0	40	-1.0	-50.96	327.56	3.24	-47.72
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010833479	0	38	-1.0	-49.99	324.31	3.33	-46.66
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833480	0	31	-1.0	-47.19	283.15	1.56	-45.63
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833481	0	46	-1.0	-52.49	390.50	4.70	-47.79
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(Br)=N1	REAL300010833482	0	28	-1.0	-51.66	272.15	0.76	-50.90
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010833483	0	30	-1.0	-48.71	288.91	2.24	-46.47
COC1=CC=C(F)C=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833484	0	35	-1.0	-52.53	315.25	3.13	-49.40
O=C([O-])CCCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010833485	0	42	-1.0	-52.79	362.82	4.18	-48.61
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833486	0	31	-1.0	-46.48	307.83	4.96	-41.52
CC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833487	0	33	-1.0	-54.43	302.71	3.47	-50.96
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCCC(=O)[O-]	REAL300010833488	0	37	-1.0	-61.80	320.51	1.00	-60.80
CCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300010833489	0	50	-1.0	-48.24	409.88	6.81	-41.43
O=C([O-])CCCNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010833490	0	31	-1.0	-49.00	293.59	3.88	-45.12
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010833491	0	39	-1.0	-52.33	334.18	3.17	-49.16
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010833492	0	32	-1.0	-49.02	305.55	4.68	-44.34
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)(C)C	REAL300010833493	0	50	-1.0	-48.23	400.94	6.70	-41.53
CCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1CC	REAL300010833494	0	44	-1.0	-48.34	371.46	5.50	-42.84
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833495	0	34	-1.0	-45.86	299.75	4.97	-40.89
COCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833496	0	39	-1.0	-51.09	362.31	3.15	-47.94
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833497	0	42	-1.0	-52.44	349.47	2.68	-49.76
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010833498	0	31	-1.0	-51.75	312.21	4.71	-47.04
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010833499	0	31	-1.0	-52.51	303.09	4.30	-48.21
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010833500	0	38	-1.0	-56.45	339.03	4.90	-51.55
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833501	0	34	-1.0	-50.39	317.76	4.89	-45.50
COC1=CC=C(Br)C(S(=O)(=O)NCCCC(=O)[O-])=C1F	REAL300010833502	0	32	-1.0	-52.09	305.87	3.21	-48.88
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCCC(=O)[O-])=C1F	REAL300010833502	1	31	-2.0	-112.69	303.63	2.85	-109.84
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCCC(=O)[O-]	REAL300010833503	0	38	-1.0	-51.74	331.49	5.29	-46.45
CCOC(=O)C1=C(S(=O)(=O)NCCCC(=O)[O-])N(C)N=C1	REAL300010833504	0	37	-1.0	-50.30	325.60	2.87	-47.43
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010833505	0	32	-1.0	-50.08	303.06	4.59	-45.49
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(=O)OC	REAL300010833506	0	40	-1.0	-54.65	362.60	4.64	-50.01
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833507	0	41	-1.0	-50.68	358.12	3.76	-46.92
O=C([O-])CCCNS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010833508	0	37	-1.0	-54.22	319.04	3.70	-50.52
COC(=O)C1=CC=NC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833509	0	33	-1.0	-53.66	307.92	1.76	-51.90
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833510	0	44	-1.0	-50.65	371.45	5.75	-44.90
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833511	0	48	-1.0	-56.06	383.95	5.45	-50.61
COC(=O)C1=CN(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833512	0	35	-1.0	-54.85	312.13	2.95	-51.90
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300010833513	0	42	-1.0	-50.71	352.47	3.06	-47.65
O=C([O-])CCCNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010833514	0	43	-1.0	-60.95	367.60	5.64	-55.31
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300010833515	0	42	-1.0	-60.93	357.74	4.92	-56.01
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300010833516	0	43	-1.0	-49.19	385.77	6.84	-42.35
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010833517	0	38	-1.0	-48.55	316.40	3.32	-45.23
COC(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300010833518	0	40	-1.0	-50.64	347.66	5.85	-44.79
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833519	0	41	-1.0	-53.65	353.95	4.37	-49.28
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833520	0	38	-1.0	-53.15	330.39	3.79	-49.36
CC1(C)COC2=C(S(=O)(=O)NCCCC(=O)[O-])C=NN2C1	REAL300010833521	0	39	-1.0	-51.21	327.83	1.03	-50.18
O=C([O-])CCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010833522	0	34	-1.0	-49.32	323.76	3.89	-45.43
O=C([O-])CCCNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010833523	0	34	-1.0	-51.48	307.64	0.21	-51.27
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010833524	0	24	-2.0	-104.15	256.44	1.29	-102.86
O=C([O-])CCCNS(=O)(=O)C1=C(Br)C=CO1	REAL300010833524	1	25	-1.0	-48.99	256.82	1.64	-47.35
COC1=C(F)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833525	0	32	-1.0	-47.76	302.79	2.53	-45.23
COC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1F	REAL300010833526	0	32	-1.0	-48.44	290.86	2.10	-46.34
CCCCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300010833527	0	53	-1.0	-48.20	431.38	7.60	-40.60
COC1=CC(C(C)C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300010833528	0	44	-1.0	-48.87	360.41	5.10	-43.77
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833529	0	38	-1.0	-49.46	323.56	4.41	-45.05
CCOCCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(C)C	REAL300010833530	0	51	-1.0	-50.77	422.36	5.45	-45.32
CC(C)(C)C1=NC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833531	0	36	-1.0	-47.92	325.59	2.65	-45.27
N#CC1(C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300010833532	0	36	-1.0	-53.14	325.16	5.19	-47.95
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833533	0	32	-1.0	-49.93	295.45	3.61	-46.32
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833533	1	31	-2.0	-109.69	291.10	3.29	-106.40
CC1=C(Br)C(S(=O)(=O)NCCCC(=O)[O-])=C(C)S1	REAL300010833534	0	31	-1.0	-47.26	301.59	4.37	-42.89
CC1=CC(Cl)=C(S(=O)(=O)NCCCC(=O)[O-])C(Br)=C1	REAL300010833535	0	31	-1.0	-48.41	302.62	4.98	-43.43
COC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=N1	REAL300010833536	0	33	-1.0	-52.00	307.86	1.82	-50.18
COC(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1Br	REAL300010833537	0	34	-1.0	-53.26	323.13	4.23	-49.03
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300010833538	0	45	-1.0	-59.62	366.42	5.06	-54.56
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010833539	0	34	-1.0	-50.89	310.59	3.61	-47.28
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C21	REAL300010833540	0	42	-1.0	-60.02	356.47	4.62	-55.40
CN1N=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833541	0	28	-1.0	-47.14	278.88	1.10	-46.04
O=C([O-])CCCNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010833542	0	30	-1.0	-47.33	291.06	2.17	-45.16
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010833543	0	32	-1.0	-51.29	304.90	3.23	-48.06
O=C([O-])CCCNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010833544	0	31	-1.0	-57.42	301.82	2.68	-54.74
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1F	REAL300010833545	0	37	-1.0	-47.30	305.05	5.00	-42.30
COC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300010833546	0	36	-1.0	-50.63	304.56	2.78	-47.85
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010833547	0	37	-1.0	-56.74	325.25	0.20	-56.54
N#CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300010833548	0	29	-1.0	-49.52	297.44	3.88	-45.64
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010833549	0	44	-1.0	-53.08	401.28	3.95	-49.13
O=C([O-])CCCNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010833549	1	43	-2.0	-86.80	398.30	2.37	-84.43
COC1=CC=C(F)C(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300010833550	0	36	-1.0	-51.61	316.35	3.30	-48.31
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833551	0	30	-2.0	-98.24	313.31	1.99	-96.25
COC(=O)C1=C(Br)OC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833551	1	31	-1.0	-48.34	315.55	2.36	-45.98
O=C([O-])CCCNS(=O)(=O)C1=CC=C(I)S1	REAL300010833552	0	25	-1.0	-46.68	277.07	3.18	-43.50
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCCC2)=N1	REAL300010833553	0	41	-1.0	-50.51	330.15	3.23	-47.28
N#CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C2S1	REAL300010833554	0	32	-1.0	-50.87	307.77	4.90	-45.97
O=C([O-])CCCNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010833555	0	30	-2.0	-95.67	283.59	3.29	-92.38
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010833556	0	32	-1.0	-50.70	296.17	2.56	-48.14
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010833557	0	32	-1.0	-53.42	304.83	3.23	-50.19
O=C([O-])CCCNS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010833558	0	31	-1.0	-52.34	286.34	2.21	-50.13
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010833558	1	30	-2.0	-113.62	284.10	1.84	-111.78
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010833559	0	28	-2.0	-89.67	288.19	2.65	-87.02
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300010833560	0	34	-1.0	-48.08	311.14	5.07	-43.01
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010833561	0	34	-1.0	-48.34	325.13	4.12	-44.22
O=C([O-])CCCNS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010833562	0	31	-1.0	-49.72	279.90	2.86	-46.86
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCC2)=N1	REAL300010833563	0	38	-1.0	-50.58	313.19	2.73	-47.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833564	0	46	-1.0	-48.41	371.08	6.99	-41.42
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010833565	0	34	-1.0	-48.59	328.13	4.86	-43.73
O=C([O-])CCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010833566	0	38	-1.0	-50.91	330.89	3.62	-47.29
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010833567	0	39	-1.0	-49.65	346.68	5.80	-43.85
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833568	0	41	-1.0	-55.45	346.72	1.39	-54.06
COC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010833569	0	37	-1.0	-59.27	322.35	4.20	-55.07
COC(=O)C1=NN(C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833570	0	34	-1.0	-50.53	313.20	1.32	-49.21
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010833571	0	32	-1.0	-48.06	313.36	4.33	-43.73
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C=C1	REAL300010833572	0	40	-1.0	-51.60	357.60	5.89	-45.71
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010833573	0	37	-1.0	-51.38	345.94	5.58	-45.80
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010833574	0	33	-1.0	-48.22	307.84	2.80	-45.42
O=C([O-])CCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010833575	0	31	-1.0	-46.62	302.06	4.05	-42.57
O=C([O-])CCCNS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010833576	0	28	-1.0	-48.70	277.83	3.50	-45.20
O=C([O-])CCCNS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010833577	0	28	-1.0	-47.56	288.67	3.08	-44.48
CC(=O)NCC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833578	0	38	-1.0	-53.21	339.11	2.00	-51.21
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Br)O1	REAL300010833579	0	25	-1.0	-47.85	261.30	1.71	-46.14
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010833579	1	24	-2.0	-100.68	259.05	1.33	-99.35
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010833580	0	31	-1.0	-47.39	308.82	4.40	-42.99
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833581	0	39	-1.0	-55.20	341.50	5.02	-50.18
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010833582	0	39	-1.0	-48.77	326.55	6.02	-42.75
CC1(C)OC(=O)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833583	0	38	-1.0	-55.30	337.16	4.67	-50.63
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010833584	0	34	-1.0	-48.47	319.33	4.02	-44.45
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833585	0	33	-1.0	-50.17	307.94	3.49	-46.68
O=C([O-])CCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010833586	0	35	-1.0	-54.59	309.96	1.33	-53.26
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833587	0	38	-1.0	-48.50	353.12	3.75	-44.75
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010833588	0	28	-1.0	-47.28	279.88	3.66	-43.62
O=C([O-])CCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010833589	0	28	-1.0	-49.50	276.19	3.37	-46.13
O=C([O-])CCCNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010833590	0	31	-1.0	-48.66	288.19	4.63	-44.03
COC(=O)C1=C(C)SC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833591	0	34	-1.0	-48.80	323.09	3.33	-45.47
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010833592	0	35	-1.0	-49.28	304.40	4.84	-44.44
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010833593	0	30	-1.0	-47.20	311.30	3.20	-44.00
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010833594	0	38	-1.0	-47.74	323.00	3.41	-44.33
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833595	0	37	-1.0	-55.49	328.12	0.50	-54.99
CS(=O)(=O)C1=CSC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833596	0	31	-1.0	-56.19	310.85	-0.52	-56.71
CNC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833597	0	37	-1.0	-55.49	328.12	0.50	-54.99
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010833598	0	31	-1.0	-50.90	281.86	4.54	-46.36
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833599	0	40	-1.0	-54.77	346.66	6.75	-48.02
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010833600	0	28	-1.0	-48.20	280.77	2.20	-46.00
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010833600	1	27	-2.0	-99.37	278.52	1.83	-97.54
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833601	0	32	-1.0	-47.92	290.11	2.93	-44.99
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300010833602	0	42	-1.0	-50.96	355.40	2.11	-48.85
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833603	0	34	-1.0	-49.66	310.13	4.51	-45.15
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010833604	0	32	-1.0	-50.47	296.17	2.56	-47.91
O=C([O-])CCCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010833605	0	35	-1.0	-48.35	346.25	2.91	-45.44
O=C([O-])CCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010833606	0	43	-1.0	-48.91	352.43	5.64	-43.27
CC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C12	REAL300010833607	0	39	-1.0	-55.34	328.37	5.33	-50.01
O=C([O-])CCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010833608	0	36	-1.0	-49.49	310.53	2.96	-46.53
CCOCC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833609	0	38	-1.0	-50.03	333.84	3.67	-46.36
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833610	0	37	-1.0	-52.27	336.49	5.22	-47.05
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010833611	0	31	-1.0	-49.28	316.19	4.99	-44.29
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833612	0	38	-1.0	-49.67	336.60	4.17	-45.50
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010833613	0	41	-1.0	-49.87	343.30	3.93	-45.94
O=C([O-])CCCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010833614	0	31	-1.0	-48.89	311.69	5.17	-43.72
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010833614	1	30	-2.0	-108.26	309.44	4.80	-103.46
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010833615	0	39	-1.0	-48.85	345.61	5.83	-43.02
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833616	0	40	-1.0	-53.26	345.81	5.72	-47.54
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC(C)=C1Br	REAL300010833617	0	34	-1.0	-47.28	314.61	4.73	-42.55
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010833618	0	33	-1.0	-49.61	318.35	4.46	-45.15
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010833618	1	32	-2.0	-108.14	317.43	4.14	-104.00
O=C([O-])CCCNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010833619	0	34	-1.0	-48.18	330.31	4.14	-44.04
O=C([O-])CCC[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010833619	1	33	-2.0	-103.63	331.93	3.93	-99.70
N#CC1(OCCS(=O)(=O)NCCCC(=O)[O-])CCOCC1	REAL300010833620	0	40	-1.0	-53.50	341.01	0.71	-52.79
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010833621	0	32	-1.0	-50.07	307.08	4.68	-45.39
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCCCC(=O)[O-])=C2	REAL300010833622	0	34	-1.0	-49.22	342.01	4.20	-45.02
O=C([O-])CCC[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010833623	0	27	-2.0	-104.91	284.48	3.52	-101.39
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833624	0	30	-1.0	-50.16	290.78	1.93	-48.23
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833624	1	29	-2.0	-101.05	295.68	1.89	-99.16
O=C([O-])CCCNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010833625	0	33	-1.0	-55.08	313.37	4.17	-50.91
O=C([O-])CCCNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010833626	0	33	-1.0	-54.32	310.06	3.98	-50.34
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833627	0	30	-1.0	-50.16	290.78	1.93	-48.23
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010833627	1	29	-2.0	-101.05	295.68	1.89	-99.16
O=C([O-])CCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010833628	0	31	-1.0	-49.28	316.19	4.99	-44.29
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CC=C12	REAL300010833629	0	37	-1.0	-51.19	315.65	5.87	-45.32
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833630	0	32	-1.0	-52.30	308.77	3.99	-48.31
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833630	1	31	-2.0	-113.96	306.53	3.62	-110.34
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010833631	0	35	-1.0	-51.48	314.86	3.35	-48.13
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833632	0	42	-1.0	-50.74	361.50	4.49	-46.25
O=C([O-])CCCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010833633	0	28	-1.0	-48.57	277.25	3.28	-45.29
O=C([O-])CCC[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010833633	1	27	-2.0	-101.66	282.21	3.22	-98.44
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCCCC(=O)[O-])O1	REAL300010833634	0	34	-1.0	-58.66	320.57	-0.73	-59.39
CN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010833635	0	38	-1.0	-50.63	324.19	3.88	-46.75
O=C([O-])CCCNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010833636	0	34	-1.0	-51.62	325.59	0.58	-51.04
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010833637	0	32	-1.0	-49.00	310.12	4.78	-44.22
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010833638	0	32	-1.0	-48.98	310.11	4.79	-44.19
O=C([O-])CCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010833639	0	30	-1.0	-51.11	287.87	2.38	-48.73
CC1=NC(S(=O)(=O)NCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010833640	0	37	-1.0	-52.70	330.78	2.16	-50.54
CC1=NC(S(=O)(=O)[N-]CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010833640	1	36	-2.0	-118.81	330.72	1.59	-117.22
O=C([O-])CCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010833641	0	45	-1.0	-49.81	333.91	5.87	-43.94
CS(=O)(=O)CCCCS(=O)(=O)NCCCC(=O)[O-]	REAL300010833642	0	36	-1.0	-61.26	327.40	-0.21	-61.47
CCOC(=O)C1=NC(S(=O)(=O)NCCCC(=O)[O-])=C2C=CC=CN12	REAL300010833643	0	40	-1.0	-56.63	357.33	4.82	-51.81
O=C([O-])CCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010833644	0	32	-1.0	-55.66	304.90	2.02	-53.64
COC(=O)C1=CN2C=NC(S(=O)(=O)NCCCC(=O)[O-])=C2C=C1	REAL300010833645	0	37	-1.0	-54.73	338.33	4.87	-49.86
O=C([O-])CCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010833646	0	38	-1.0	-53.21	340.21	5.88	-47.33
COC(=O)C1CCCCN1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833647	0	39	-1.0	-52.08	323.62	3.50	-48.58
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C21	REAL300010833648	0	50	-1.0	-48.31	386.50	7.16	-41.15
N#CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010833649	0	31	-1.0	-53.72	302.37	3.79	-49.93
COC1=CC=C(C=C(C)S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833650	0	39	-1.0	-49.50	330.25	3.85	-45.65
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=NN1	REAL300010833651	0	34	-1.0	-50.56	317.11	0.79	-49.77
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833651	1	33	-2.0	-91.28	311.68	0.70	-90.58
CCOC(=O)C1=CC(S(=O)(=O)NCCCC(=O)[O-])=N[N-]1	REAL300010833651	1	33	-2.0	-91.24	311.72	0.69	-90.55
COC1=CSC(S(=O)(=O)NCCCC(=O)[O-])=C1OC	REAL300010833652	0	33	-1.0	-50.38	305.69	0.83	-49.55
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CCCC(=O)[O-])=C1	REAL300010833653	0	30	-2.0	-97.71	309.24	1.89	-95.82
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833653	1	31	-1.0	-48.48	311.48	2.25	-46.23
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCC(=O)[O-]	REAL300010833654	0	39	-1.0	-49.28	337.19	4.87	-44.41
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833655	0	32	-1.0	-49.09	307.55	4.14	-44.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833655	1	31	-2.0	-108.95	305.31	3.85	-105.10
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010833656	0	32	-1.0	-50.33	305.62	3.77	-46.56
COC1=CC(F)=C(S(=O)(=O)NCCCC(=O)[O-])C(F)=C1	REAL300010833657	0	32	-1.0	-49.77	294.91	2.55	-47.22
COC1=CC(F)=C(S(=O)(=O)[N-]CCCC(=O)[O-])C(F)=C1	REAL300010833657	1	31	-2.0	-109.79	292.66	2.19	-107.60
O=C([O-])CCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010833658	0	32	-1.0	-50.75	302.41	2.63	-48.12
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010833659	0	31	-1.0	-51.74	286.49	4.53	-47.21
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010833660	0	37	-1.0	-48.94	335.79	3.46	-45.48
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010833661	0	25	-1.0	-45.33	281.99	3.08	-42.25
O=C([O-])CCC[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010833661	1	24	-2.0	-95.76	279.74	2.72	-93.04
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833662	0	41	-1.0	-51.37	350.69	5.39	-45.98
CC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010833663	0	45	-1.0	-50.60	375.34	4.88	-45.72
O=C([O-])CCCNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010833664	0	31	-1.0	-48.87	313.18	4.40	-44.47
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010833665	0	33	-1.0	-51.77	309.58	3.66	-48.11
O=C([O-])CCCNS(=O)(=O)C1=C(I)C=CS1	REAL300010833666	0	25	-1.0	-47.61	271.26	2.86	-44.75
O=C([O-])CCC[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010833666	1	24	-2.0	-102.60	273.17	2.64	-99.96
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010833667	0	39	-1.0	-50.84	347.34	5.90	-44.94
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833668	0	34	-1.0	-53.94	293.80	4.99	-48.95
O=C([O-])CCCNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010833669	0	33	-1.0	-52.79	311.80	1.56	-51.23
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010833670	0	29	-1.0	-50.56	292.08	1.84	-48.72
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833671	0	39	-1.0	-50.40	340.59	4.61	-45.79
CCN1C=C(S(=O)(=O)NCCCC(=O)[O-])C(C2CC2)=N1	REAL300010833672	0	38	-1.0	-50.90	322.08	3.22	-47.68
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300010833673	0	32	-1.0	-53.36	294.93	2.36	-51.00
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010833674	0	34	-1.0	-48.63	319.55	5.76	-42.87
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010833675	0	38	-1.0	-48.45	347.84	6.92	-41.53
COC(=O)C1=C(S(=O)(=O)NCCCC(=O)[O-])C=C(Cl)S1	REAL300010833676	0	31	-1.0	-49.87	312.48	4.00	-45.87
CCC1=CC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300010833677	0	34	-1.0	-46.97	315.96	4.85	-42.12
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833678	0	41	-1.0	-47.98	343.68	4.17	-43.81
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833679	0	42	-1.0	-51.16	354.01	3.31	-47.85
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010833680	0	34	-1.0	-50.20	304.27	5.28	-44.92
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833681	0	36	-1.0	-48.86	307.56	0.65	-48.21
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010833682	0	34	-1.0	-49.73	321.75	2.81	-46.92
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833683	0	42	-1.0	-56.90	366.25	3.29	-53.61
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010833684	0	43	-1.0	-49.25	358.80	3.36	-45.89
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833685	0	31	-1.0	-47.78	292.00	0.67	-47.11
O=C([O-])CCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010833686	0	27	-1.0	-50.45	284.25	0.96	-49.49
O=C([O-])CCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010833687	0	38	-1.0	-49.63	319.14	0.75	-48.88
O=C([O-])CCCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010833688	0	31	-1.0	-57.00	306.38	2.79	-54.21
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010833689	0	25	-2.0	-105.58	267.69	0.43	-105.15
O=C([O-])CCCNS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010833689	1	26	-1.0	-49.09	266.66	0.96	-48.13
CC(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833690	0	32	-1.0	-56.03	305.33	1.02	-55.01
O=C([O-])CCCNS(=O)(=O)C1=CC=C(I)S1	REAL300010833691	0	25	-1.0	-46.68	277.07	3.18	-43.50
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833692	0	32	-1.0	-49.38	298.73	3.43	-45.95
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010833693	0	30	-1.0	-50.02	292.05	2.10	-47.92
COC1=NC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1Cl	REAL300010833694	0	31	-1.0	-49.60	285.73	-0.21	-49.81
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833695	0	37	-1.0	-55.15	338.84	2.03	-53.12
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCCC(=O)[O-])S1	REAL300010833695	1	36	-2.0	-91.91	335.55	0.90	-91.01
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833696	0	35	-1.0	-56.07	310.27	1.13	-54.94
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010833697	0	32	-1.0	-48.63	319.78	5.10	-43.53
O=C([O-])CCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010833698	0	33	-1.0	-49.91	310.03	5.24	-44.67
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010833699	0	26	-2.0	-109.85	275.57	1.46	-108.39
O=C([O-])CCCNS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010833699	1	27	-1.0	-50.84	277.81	1.83	-49.01
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])N=C1	REAL300010833700	0	39	-1.0	-49.99	326.57	3.57	-46.42
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=CC=CN=C12	REAL300010833701	0	36	-1.0	-50.73	313.16	4.27	-46.46
COC(=O)C1=NC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300010833702	0	36	-1.0	-49.51	323.69	2.35	-47.16
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833703	0	31	-1.0	-54.37	295.06	4.86	-49.51
O=C([O-])CCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010833704	0	35	-1.0	-49.05	312.15	4.24	-44.81
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010833705	0	35	-1.0	-49.51	316.77	5.18	-44.33
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=C1NCCC2	REAL300010833706	0	40	-1.0	-48.73	326.31	3.95	-44.78
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300010833707	0	42	-1.0	-49.44	365.71	6.55	-42.89
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010833708	0	35	-1.0	-50.54	318.44	5.22	-45.32
O=C([O-])CCCNS(=O)(=O)C1=CSC=C1Br	REAL300010833709	0	25	-1.0	-48.16	253.91	2.05	-46.11
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010833710	0	32	-1.0	-51.30	300.31	3.13	-48.17
CC1=CC(Br)=NC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833711	0	30	-1.0	-47.50	288.63	2.58	-44.92
CC1=CC=C(I)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833712	0	31	-1.0	-47.52	300.26	4.88	-42.64
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833713	0	37	-1.0	-53.29	324.01	4.79	-48.50
O=C([O-])CCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010833714	0	39	-1.0	-50.10	341.13	7.10	-43.00
O=C([O-])CCCNS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010833715	0	31	-1.0	-50.34	287.36	3.60	-46.74
O=C([O-])CCCNS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010833716	0	27	-1.0	-47.09	273.23	1.78	-45.31
O=C([O-])CCCNS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010833717	0	30	-1.0	-52.67	279.52	2.52	-50.15
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010833717	1	29	-2.0	-113.64	279.94	1.91	-111.73
O=C([O-])CCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300010833718	0	31	-1.0	-47.89	288.37	2.70	-45.19
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCC(=O)[O-]	REAL300010833719	0	36	-1.0	-57.10	315.18	-1.22	-58.32
CC1=NC(S(=O)(=O)NCCCC(=O)[O-])=CC=C1Br	REAL300010833720	0	30	-1.0	-49.12	292.49	2.20	-46.92
O=C([O-])CCC[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010833721	0	26	-2.0	-102.84	282.73	2.01	-100.83
O=C([O-])CCCNS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010833721	1	27	-1.0	-47.30	284.97	2.38	-44.92
O=C([O-])CCCNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010833722	0	32	-1.0	-57.08	302.79	2.30	-54.78
O=C([O-])CCCNS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010833723	0	32	-1.0	-49.05	305.55	4.68	-44.37
CP(C)(=O)C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833724	0	37	-1.0	-55.90	337.01	2.55	-53.35
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010833725	0	35	-1.0	-52.34	312.46	5.36	-46.98
COC1=CC=C(I)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833726	0	32	-1.0	-49.05	307.73	3.55	-45.50
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(Cl)=C1Cl	REAL300010833727	0	31	-1.0	-49.30	292.54	4.10	-45.20
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010833728	0	32	-1.0	-46.88	301.15	2.52	-44.36
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2)C=C1	REAL300010833729	0	51	-1.0	-49.51	428.40	8.19	-41.32
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C(F)F)=C1	REAL300010833730	0	35	-1.0	-49.03	308.53	3.62	-45.41
CCOC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C(=O)OC	REAL300010833731	0	41	-1.0	-52.62	360.86	4.60	-48.02
COC(=O)C1CC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C1	REAL300010833732	0	41	-1.0	-51.99	356.21	5.51	-46.48
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833733	0	34	-1.0	-47.62	314.14	1.13	-46.49
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833734	0	34	-1.0	-48.77	323.49	5.06	-43.71
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833734	1	33	-2.0	-106.46	322.42	4.76	-101.70
COC(=O)C1=CC=NC=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833735	0	33	-1.0	-52.69	296.54	2.69	-50.00
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300010833736	0	34	-1.0	-55.42	305.44	4.21	-51.21
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCCC(=O)[O-]	REAL300010833736	1	33	-2.0	-123.17	307.26	4.22	-118.95
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1I	REAL300010833737	0	28	-1.0	-48.75	278.11	4.26	-44.49
COC1=CC=C(I)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833738	0	32	-1.0	-49.05	307.73	3.55	-45.50
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C2C=C1	REAL300010833739	0	39	-1.0	-52.14	353.54	3.99	-48.15
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C2=NC=CC=C12	REAL300010833740	0	36	-1.0	-54.68	306.87	4.63	-50.05
O=C([O-])CCC[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010833741	0	23	-2.0	-96.14	258.60	1.04	-95.10
O=C([O-])CCCNS(=O)(=O)C1=C(Br)C=NS1	REAL300010833741	1	24	-1.0	-45.61	260.84	1.39	-44.22
NC1=CC(Br)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833742	0	30	-1.0	-48.56	293.29	1.48	-47.08
O=C([O-])CCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300010833743	0	35	-1.0	-51.86	322.55	3.62	-48.24
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300010833744	0	41	-1.0	-50.49	338.57	5.02	-45.47
O=C([O-])CCCNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010833745	0	32	-2.0	-95.51	305.37	2.94	-92.57
O=C([O-])CCCNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010833745	1	33	-1.0	-52.07	307.96	1.99	-50.08
CC1CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1C(=O)[O-]	REAL300010833746	0	34	-1.0	-54.78	285.48	3.63	-51.15
CC1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1C(=O)[O-]	REAL300010833747	0	35	-1.0	-50.51	310.90	6.09	-44.42
CC1CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1C(=O)[O-]	REAL300010833748	0	35	-1.0	-50.97	301.84	5.87	-45.10
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1C	REAL300010833749	0	47	-1.0	-49.56	339.58	7.63	-41.93
COC(=O)CC1(CS(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300010833750	0	44	-1.0	-51.50	349.15	5.72	-45.78
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833751	0	41	-1.0	-60.76	330.25	6.91	-53.85
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833752	0	44	-1.0	-49.52	359.86	6.83	-42.69
CC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1C(=O)[O-]	REAL300010833753	0	35	-1.0	-48.50	306.98	5.98	-42.52
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010833754	0	41	-1.0	-58.14	345.09	6.22	-51.92
CC1CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)CC1C(=O)[O-]	REAL300010833755	0	47	-1.0	-50.12	359.40	7.57	-42.55
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833756	0	44	-1.0	-50.15	343.46	7.17	-42.98
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833757	0	47	-1.0	-50.05	361.87	7.83	-42.22
CC1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)CC1C(=O)[O-]	REAL300010833758	0	46	-1.0	-53.94	379.54	3.21	-50.73
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010833759	0	35	-1.0	-50.99	299.12	5.04	-45.95
CC1CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1C(=O)[O-]	REAL300010833760	0	39	-1.0	-54.46	328.62	2.33	-52.13
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833761	0	45	-1.0	-54.48	365.38	4.27	-50.21
CC1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1C(=O)[O-]	REAL300010833762	0	37	-1.0	-46.40	318.61	6.12	-40.28
CC1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1C(=O)[O-]	REAL300010833763	0	35	-1.0	-52.49	305.72	6.49	-46.00
CC1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1C(=O)[O-]	REAL300010833764	0	32	-1.0	-49.01	294.28	4.86	-44.15
CCCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833765	0	44	-1.0	-50.16	347.59	7.46	-42.70
COC1=CC=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833766	0	39	-1.0	-50.73	315.32	5.37	-45.36
CC1CCN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)CC1C(=O)[O-]	REAL300010833767	0	35	-1.0	-46.92	311.68	6.06	-40.86
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1Br	REAL300010833768	0	39	-1.0	-51.78	339.49	5.45	-46.33
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833769	0	46	-1.0	-66.94	373.35	4.25	-62.69
CC1CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1C(=O)[O-]	REAL300010833770	0	35	-1.0	-55.70	298.71	5.25	-50.45
CC1CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1C(=O)[O-]	REAL300010833771	0	35	-1.0	-47.83	318.31	6.29	-41.54
CC1CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1C(=O)[O-]	REAL300010833772	0	35	-1.0	-51.16	299.41	5.79	-45.37
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC(C(=O)OC)=C1	REAL300010833773	0	47	-1.0	-54.95	394.35	6.55	-48.40
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833774	0	47	-1.0	-62.76	392.60	7.85	-54.91
CC1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1C(=O)[O-]	REAL300010833775	0	35	-1.0	-55.58	293.33	5.53	-50.05
CC1CCN(S(=O)(=O)C2=CC=C(Cl)N=C2)CC1C(=O)[O-]	REAL300010833776	0	34	-1.0	-47.88	296.69	3.89	-43.99
CC1CCN(S(=O)(=O)C2=CC=CC(C#N)=C2)CC1C(=O)[O-]	REAL300010833777	0	36	-1.0	-53.80	310.44	5.86	-47.94
CC1CCN(S(=O)(=O)C2=CC=C(C#N)C=C2)CC1C(=O)[O-]	REAL300010833778	0	36	-1.0	-49.92	304.05	5.63	-44.29
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)CC1C(=O)[O-]	REAL300010833779	0	35	-1.0	-47.63	304.03	5.70	-41.93
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CC1C(=O)[O-]	REAL300010833780	0	38	-1.0	-51.91	337.60	7.52	-44.39
CC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1Br	REAL300010833781	0	38	-1.0	-47.73	329.07	6.66	-41.07
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1NC(C)=O	REAL300010833782	0	46	-1.0	-62.17	374.18	3.78	-58.39
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1C(=O)[O-]	REAL300010833783	0	39	-1.0	-48.79	329.22	5.03	-43.76
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)=C1C	REAL300010833784	0	50	-1.0	-50.94	352.95	8.06	-42.88
CC1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1C(=O)[O-]	REAL300010833785	0	44	-1.0	-53.06	352.41	5.42	-47.64
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010833786	0	40	-1.0	-48.30	333.79	6.67	-41.63
CC1CCN(S(=O)(=O)C2=CC=C(Br)S2)CC1C(=O)[O-]	REAL300010833787	0	32	-1.0	-49.08	298.91	4.96	-44.12
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1Cl	REAL300010833788	0	41	-1.0	-48.91	345.25	7.73	-41.18
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833789	0	39	-1.0	-53.97	338.31	5.99	-47.98
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833790	0	53	-1.0	-50.55	392.02	9.22	-41.33
CC1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300010833791	0	51	-1.0	-48.41	391.17	9.19	-39.22
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1C(=O)[O-]	REAL300010833792	0	38	-1.0	-48.14	321.95	6.25	-41.89
CC1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CC1C(=O)[O-]	REAL300010833793	0	45	-1.0	-51.02	348.01	7.72	-43.30
CCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833794	0	41	-1.0	-50.34	326.13	6.68	-43.66
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833795	0	43	-1.0	-57.05	346.47	4.66	-52.39
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1OC	REAL300010833796	0	43	-1.0	-51.94	348.30	4.68	-47.26
CC1CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)CC1C(=O)[O-]	REAL300010833797	0	42	-1.0	-50.72	338.39	7.42	-43.30
CC1=NOC(C)=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833798	0	37	-1.0	-46.06	303.96	4.42	-41.64
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010833799	0	42	-1.0	-55.37	359.90	3.39	-51.98
CC1CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CC1C(=O)[O-]	REAL300010833800	0	43	-1.0	-50.35	344.14	7.88	-42.47
CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2F)CC1C(=O)[O-]	REAL300010833801	0	35	-1.0	-51.05	301.34	5.54	-45.51
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833802	0	45	-1.0	-58.92	345.91	4.48	-54.44
CC1CCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CC1C(=O)[O-]	REAL300010833803	0	32	-1.0	-45.80	298.26	5.00	-40.80
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833804	0	50	-1.0	-50.20	386.66	8.75	-41.45
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CC1C(=O)[O-]	REAL300010833805	0	41	-1.0	-52.95	319.18	7.25	-45.70
CC1CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1C(=O)[O-]	REAL300010833806	0	45	-1.0	-50.02	363.50	8.81	-41.21
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)CC1C(=O)[O-]	REAL300010833807	0	38	-1.0	-46.71	329.12	6.44	-40.27
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833808	0	38	-1.0	-47.19	295.98	5.65	-41.54
CC1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)CC1C(=O)[O-]	REAL300010833809	0	35	-1.0	-48.55	330.04	7.27	-41.28
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833810	0	50	-1.0	-50.10	373.66	8.03	-42.07
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1Cl	REAL300010833811	0	38	-1.0	-47.76	325.05	6.58	-41.18
CC1CCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CC1C(=O)[O-]	REAL300010833812	0	35	-1.0	-47.14	303.82	5.44	-41.70
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(F)=C1	REAL300010833813	0	38	-1.0	-50.82	308.72	5.86	-44.96
CC1=NC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CN1C	REAL300010833814	0	38	-1.0	-61.41	316.40	4.41	-57.00
CC1CCN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)CC1C(=O)[O-]	REAL300010833815	0	35	-1.0	-47.73	313.11	5.80	-41.93
CC1CCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CC1C(=O)[O-]	REAL300010833816	0	38	-1.0	-51.08	333.67	6.47	-44.61
CC1CCN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)CC1C(=O)[O-]	REAL300010833817	0	35	-1.0	-47.74	313.12	5.80	-41.94
CC1CCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)CC1C(=O)[O-]	REAL300010833818	0	35	-1.0	-47.81	298.80	5.25	-42.56
CC1CCN(S(=O)(=O)C2=CC=CC3=NON=C32)CC1C(=O)[O-]	REAL300010833819	0	36	-1.0	-51.19	300.66	3.99	-47.20
CC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1F	REAL300010833820	0	38	-1.0	-47.72	316.29	6.17	-41.55
CC1CCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CC1C(=O)[O-]	REAL300010833821	0	38	-1.0	-45.71	333.89	6.53	-39.18
CC1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CC1C(=O)[O-]	REAL300010833822	0	40	-1.0	-54.74	317.70	6.29	-48.45
CC1CCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CC1C(=O)[O-]	REAL300010833823	0	38	-1.0	-51.93	327.26	7.06	-44.87
CC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)CC1C(=O)[O-]	REAL300010833824	0	35	-1.0	-56.30	302.31	5.63	-50.67
CC1CCN(S(=O)(=O)C2=CC=C(F)C=C2Br)CC1C(=O)[O-]	REAL300010833825	0	35	-1.0	-46.94	298.91	5.56	-41.38
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833826	0	41	-1.0	-50.19	337.61	5.75	-44.44
CC1=CC=C(F)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833827	0	38	-1.0	-51.92	316.35	6.14	-45.78
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1F	REAL300010833828	0	39	-1.0	-52.75	325.30	4.85	-47.90
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1F	REAL300010833829	0	38	-1.0	-47.74	316.31	6.18	-41.56
CC1CCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)CC1C(=O)[O-]	REAL300010833830	0	35	-1.0	-50.69	307.37	5.88	-44.81
CC1CCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1C(=O)[O-]	REAL300010833831	0	35	-1.0	-48.88	316.58	6.14	-42.74
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1Cl	REAL300010833832	0	42	-1.0	-51.91	359.46	5.00	-46.91
CC1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1C(=O)[O-]	REAL300010833833	0	46	-1.0	-48.23	338.65	5.63	-42.60
CC1CCN(S(=O)(=O)N2CCCCC2C)CC1C(=O)[O-]	REAL300010833834	0	43	-1.0	-49.42	310.82	4.99	-44.43
CCCN(CCC)S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833835	0	45	-1.0	-49.76	344.99	5.62	-44.14
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010833836	0	51	-1.0	-52.89	388.33	8.48	-44.41
CC1CCN(S(=O)(=O)CC2=CC=CC(C#N)=C2)CC1C(=O)[O-]	REAL300010833837	0	39	-1.0	-57.74	329.44	6.36	-51.38
CC1CCN(S(=O)(=O)CCC2=CC=CC=C2)CC1C(=O)[O-]	REAL300010833838	0	41	-1.0	-53.05	337.72	7.04	-46.01
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1Cl	REAL300010833839	0	38	-1.0	-51.54	322.78	7.06	-44.48
CC1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1C(=O)[O-]	REAL300010833840	0	38	-1.0	-54.35	348.08	7.23	-47.12
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010833841	0	45	-1.0	-53.45	348.37	6.91	-46.54
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1C(N)=O	REAL300010833842	0	42	-1.0	-51.06	340.18	2.93	-48.13
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1C(N)=O	REAL300010833843	0	43	-1.0	-53.50	351.39	2.85	-50.65
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833844	0	40	-1.0	-50.52	327.07	6.55	-43.97
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(F)=C1	REAL300010833845	0	42	-1.0	-56.27	343.26	4.08	-52.19
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833846	0	40	-1.0	-48.67	314.57	6.17	-42.50
CC1CCN(S(=O)(=O)C2=C(Cl)N(C)C=N2)CC1C(=O)[O-]	REAL300010833847	0	35	-1.0	-57.21	300.67	4.81	-52.40
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833848	0	38	-1.0	-47.50	320.70	6.24	-41.26
COCCOCCS(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833849	0	42	-1.0	-54.30	345.47	2.53	-51.77
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833850	0	41	-1.0	-48.67	364.39	6.67	-42.00
CC1CCN(S(=O)(=O)C2=CC=C(Br)C=N2)CC1C(=O)[O-]	REAL300010833851	0	34	-1.0	-50.62	301.13	3.89	-46.73
CC1CCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)CC1C(=O)[O-]	REAL300010833852	0	44	-1.0	-62.71	368.23	3.45	-59.26
CC(=O)NC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1F	REAL300010833853	0	42	-1.0	-58.75	351.57	4.48	-54.27
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC(C)C(C(=O)[O-])C3)C=C21	REAL300010833854	0	49	-1.0	-66.47	384.49	7.09	-59.38
CC1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1C(=O)[O-]	REAL300010833855	0	40	-1.0	-65.15	333.81	1.29	-63.86
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)=C1C	REAL300010833856	0	45	-1.0	-49.40	334.27	5.44	-43.96
CC1CCN(S(=O)(=O)C2=CC(F)=CC=C2Br)CC1C(=O)[O-]	REAL300010833857	0	35	-1.0	-50.11	306.53	5.86	-44.25
CC1CCN(S(=O)(=O)C2=CC=C3NC(=O)C(C)(C)C3=C2)CC1C(=O)[O-]	REAL300010833858	0	46	-1.0	-51.77	376.18	5.01	-46.76
CC1CCN(S(=O)(=O)CC2=CC=C(Br)C=C2)CC1C(=O)[O-]	REAL300010833859	0	38	-1.0	-52.91	329.62	6.64	-46.27
CC1CCN(S(=O)(=O)C2=CC=C(Br)C(Cl)=C2)CC1C(=O)[O-]	REAL300010833860	0	35	-1.0	-48.33	325.70	6.55	-41.78
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833861	0	48	-1.0	-58.59	386.89	5.04	-53.55
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833862	0	49	-1.0	-60.30	399.22	4.37	-55.93
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833863	0	43	-1.0	-53.56	354.15	8.08	-45.48
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833864	0	47	-1.0	-50.25	364.35	7.93	-42.32
COCCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833865	0	45	-1.0	-50.76	359.77	5.76	-45.00
COCCN(CCOC)S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833866	0	47	-1.0	-49.84	362.69	2.54	-47.30
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833867	0	38	-1.0	-47.07	306.32	6.10	-40.97
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833868	0	51	-1.0	-49.36	395.14	7.57	-41.79
CC1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1C(=O)[O-]	REAL300010833869	0	49	-1.0	-48.78	384.25	7.60	-41.18
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833870	0	48	-1.0	-49.48	376.18	6.96	-42.52
CCCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833871	0	45	-1.0	-49.54	356.08	6.26	-43.28
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1Cl	REAL300010833872	0	39	-1.0	-51.86	335.11	5.33	-46.53
CC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1C(=O)[O-]	REAL300010833873	0	39	-1.0	-50.71	344.84	5.60	-45.11
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1C	REAL300010833874	0	42	-1.0	-51.13	334.86	5.27	-45.86
CC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010833875	0	48	-1.0	-50.85	374.68	6.82	-44.03
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(C)=C1	REAL300010833876	0	42	-1.0	-52.56	328.30	5.18	-47.38
COCCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833877	0	46	-1.0	-51.66	368.20	4.74	-46.92
CC1CCN(S(=O)(=O)CC2=CC=CC=C2F)CC1C(=O)[O-]	REAL300010833878	0	38	-1.0	-56.43	312.27	5.98	-50.45
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833879	0	46	-1.0	-62.42	380.35	5.14	-57.28
CC1CCN(S(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)CC1C(=O)[O-]	REAL300010833880	0	50	-1.0	-51.73	387.97	4.69	-47.04
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(Br)=C1	REAL300010833881	0	38	-1.0	-50.13	313.92	6.16	-43.97
CC1CCN(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)CC1C(=O)[O-]	REAL300010833882	0	41	-1.0	-60.34	358.70	3.26	-57.08
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833883	0	41	-1.0	-59.11	356.37	7.86	-51.25
CC1CCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)CC1C(=O)[O-]	REAL300010833884	0	40	-1.0	-51.01	326.26	5.62	-45.39
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833885	0	39	-1.0	-48.46	330.52	5.97	-42.49
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833886	0	39	-1.0	-51.75	319.56	6.26	-45.49
CC1CCN(S(=O)(=O)C2=CC=C(C#N)C=C2F)CC1C(=O)[O-]	REAL300010833887	0	36	-1.0	-48.99	308.04	5.57	-43.42
CC1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C#N)CC1C(=O)[O-]	REAL300010833888	0	39	-1.0	-48.24	340.97	6.53	-41.71
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1OC	REAL300010833889	0	45	-1.0	-54.76	371.66	6.18	-48.58
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1C	REAL300010833890	0	44	-1.0	-51.14	356.17	6.42	-44.72
COC(=O)CCN(C)S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833891	0	42	-1.0	-54.88	339.92	4.15	-50.73
CC1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1C(=O)[O-]	REAL300010833892	0	45	-1.0	-58.85	365.81	1.22	-57.63
CC1CCN(S(=O)(=O)N(C)C2CCOCC2)CC1C(=O)[O-]	REAL300010833893	0	44	-1.0	-50.10	332.64	3.31	-46.79
CC1CCN(S(=O)(=O)N2CC3CCC2C3)CC1C(=O)[O-]	REAL300010833894	0	41	-1.0	-48.89	311.62	4.77	-44.12
CC1CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CC1C(=O)[O-]	REAL300010833895	0	44	-1.0	-55.90	351.87	5.31	-50.59
CC1=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010833896	0	44	-1.0	-52.52	354.66	6.53	-45.99
CCN1N=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1C	REAL300010833897	0	44	-1.0	-48.75	349.41	5.37	-43.38
CC(C)N1C=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=N1	REAL300010833898	0	41	-1.0	-54.16	337.64	4.61	-49.55
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833899	0	44	-1.0	-51.43	349.80	6.49	-44.94
CC(C)N1C=NC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833900	0	41	-1.0	-51.28	330.73	5.62	-45.66
CC(C)C1=NC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CN1	REAL300010833901	0	41	-1.0	-50.84	336.67	3.97	-46.87
CC1CCN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)CC1C(=O)[O-]	REAL300010833902	0	47	-1.0	-53.00	348.21	8.42	-44.58
CC1CCN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)CC1C(=O)[O-]	REAL300010833903	0	43	-1.0	-64.72	355.67	4.89	-59.83
CC1CCN(S(=O)(=O)CCC2=CC=CC=C2)CC1C(=O)[O-]	REAL300010833904	0	41	-1.0	-53.05	337.72	7.04	-46.01
CC1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1C(=O)[O-]	REAL300010833905	0	42	-1.0	-53.10	357.84	6.80	-46.30
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1F	REAL300010833906	0	41	-1.0	-57.63	347.87	5.89	-51.74
COC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010833907	0	39	-1.0	-48.76	335.74	5.33	-43.43
CC1=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010833908	0	45	-1.0	-45.46	376.80	7.31	-38.15
CC1=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C(Br)S1	REAL300010833909	0	35	-1.0	-51.08	309.05	5.50	-45.58
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CN1	REAL300010833910	0	39	-1.0	-58.40	326.59	3.59	-54.81
CC1CCN(S(=O)(=O)C2=CC=C(C#N)C(Cl)=C2)CC1C(=O)[O-]	REAL300010833911	0	36	-1.0	-46.90	325.78	6.28	-40.62
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1C	REAL300010833912	0	43	-1.0	-63.46	328.44	7.55	-55.91
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833913	0	41	-1.0	-55.57	352.72	6.39	-49.18
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833914	0	44	-1.0	-55.01	350.30	3.11	-51.90
CC1CCN(S(=O)(=O)C2=CC=C(C#N)C=C2C(F)(F)F)CC1C(=O)[O-]	REAL300010833915	0	39	-1.0	-52.89	341.54	7.42	-45.47
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C#N)=C2)CC1C(=O)[O-]	REAL300010833916	0	36	-1.0	-53.18	329.11	6.31	-46.87
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833917	0	51	-1.0	-51.65	394.20	6.97	-44.68
CC1CCN(S(=O)(=O)C2=CC=CC(C(=O)NC3CC3)=C2)CC1C(=O)[O-]	REAL300010833918	0	46	-1.0	-54.49	377.64	5.45	-49.04
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833919	0	43	-1.0	-54.14	359.82	1.41	-52.73
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010833920	0	45	-1.0	-58.13	381.10	4.17	-53.96
COC(=O)C1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)O1	REAL300010833921	0	38	-1.0	-48.53	324.37	4.05	-44.48
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833922	0	41	-1.0	-51.08	342.70	4.76	-46.32
CC1=NC(C)=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)S1	REAL300010833923	0	37	-1.0	-51.49	320.23	4.00	-47.49
CC1CCN(S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CC1C(=O)[O-]	REAL300010833924	0	37	-1.0	-60.92	302.53	7.05	-53.87
CC1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1C(=O)[O-]	REAL300010833925	0	38	-1.0	-49.98	346.08	7.16	-42.82
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C(C)N1	REAL300010833926	0	48	-1.0	-57.20	385.70	6.10	-51.10
CC1CCN(S(=O)(=O)CC2CCCCC2)CC1C(=O)[O-]	REAL300010833927	0	44	-1.0	-50.00	328.88	6.39	-43.61
CC1CCN(S(=O)(=O)C2=C(F)C=CC=C2Br)CC1C(=O)[O-]	REAL300010833928	0	35	-1.0	-51.29	309.17	6.34	-44.95
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C)C(C(=O)[O-])C3)S2)=CS1	REAL300010833929	0	41	-1.0	-50.14	363.12	5.76	-44.38
CC1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1C(=O)[O-]	REAL300010833930	0	55	-1.0	-49.40	417.81	8.86	-40.54
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833931	0	44	-1.0	-50.68	344.31	6.24	-44.44
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CC1C(=O)[O-]	REAL300010833932	0	37	-1.0	-57.63	322.00	7.58	-50.05
COC1=CC(F)=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1OC	REAL300010833933	0	43	-1.0	-52.89	344.79	4.33	-48.56
COC1=CC(C)=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1OC	REAL300010833934	0	46	-1.0	-48.76	347.62	4.73	-44.03
CC1CCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])CC1C(=O)[O-]	REAL300010833935	0	37	-1.0	-46.24	332.70	7.86	-38.38
CC1CCN(S(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CC1C(=O)[O-]	REAL300010833936	0	38	-1.0	-57.59	322.71	6.15	-51.44
COC(=O)CCCS(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833937	0	40	-1.0	-58.62	333.27	4.83	-53.79
CC1CCN(S(=O)(=O)C2=CC=C(F)C=C2C#N)CC1C(=O)[O-]	REAL300010833938	0	36	-1.0	-48.68	308.32	5.59	-43.09
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2C#N)CC1C(=O)[O-]	REAL300010833939	0	36	-1.0	-48.56	318.65	6.04	-42.52
CC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1Br	REAL300010833940	0	38	-1.0	-47.75	329.09	6.67	-41.08
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833941	0	38	-1.0	-50.59	294.38	5.55	-45.04
COC(=O)CN1C=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=N1	REAL300010833942	0	41	-1.0	-62.27	344.18	4.03	-58.24
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)CC1C(=O)[O-]	REAL300010833943	0	41	-1.0	-50.37	334.25	7.98	-42.39
CC1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)CC1C(=O)[O-]	REAL300010833944	0	40	-1.0	-51.41	349.10	7.67	-43.74
CC1=C(Br)SC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833945	0	35	-1.0	-44.58	316.88	5.52	-39.06
CC1CCN(S(=O)(=O)C2=CC=C(CC#N)C=C2)CC1C(=O)[O-]	REAL300010833946	0	39	-1.0	-56.86	325.46	6.42	-50.44
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC(F)=C1F	REAL300010833947	0	41	-1.0	-50.31	358.49	6.25	-44.06
CC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1C(=O)[O-]	REAL300010833948	0	53	-1.0	-49.91	372.07	6.91	-43.00
CC1=NC2=C(S(=O)(=O)N3CCC(C)C(C(=O)[O-])C3)C=CC=C2C=C1	REAL300010833949	0	43	-1.0	-58.82	339.07	6.85	-51.97
CC1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1C(=O)[O-]	REAL300010833950	0	46	-1.0	-53.54	361.96	3.80	-49.74
CC1=CC=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1Br	REAL300010833951	0	38	-1.0	-50.32	312.44	6.17	-44.15
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833952	0	41	-1.0	-56.86	338.02	6.18	-50.68
CC1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1C(=O)[O-]	REAL300010833953	0	43	-1.0	-53.07	342.88	3.01	-50.06
COC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010833954	0	41	-1.0	-50.61	348.40	6.25	-44.36
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833955	0	41	-1.0	-46.88	328.33	6.58	-40.30
COCCN1C=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=N1	REAL300010833956	0	42	-1.0	-53.98	352.63	3.13	-50.85
CCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010833957	0	48	-1.0	-52.25	369.37	7.52	-44.73
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833958	0	45	-1.0	-54.60	360.29	6.95	-47.65
CC1CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1C(=O)[O-]	REAL300010833959	0	40	-1.0	-67.34	341.20	5.68	-61.66
CC1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1C(=O)[O-]	REAL300010833960	0	42	-1.0	-51.38	353.44	6.64	-44.74
CC1CCN(S(=O)(=O)C2=CC=CC(F)=C2C#N)CC1C(=O)[O-]	REAL300010833961	0	36	-1.0	-64.63	296.89	5.10	-59.53
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833962	0	49	-1.0	-51.59	390.06	5.70	-45.89
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)C=C1	REAL300010833963	0	51	-1.0	-49.46	399.07	7.83	-41.63
CC1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])CC1C(=O)[O-]	REAL300010833964	0	37	-1.0	-52.13	316.14	7.35	-44.78
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1F	REAL300010833965	0	41	-1.0	-51.91	348.91	6.15	-45.76
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833966	0	45	-1.0	-60.37	371.66	6.03	-54.34
COC(=O)C1=CSC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833967	0	38	-1.0	-48.83	333.36	4.90	-43.93
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833968	0	47	-1.0	-48.62	368.42	6.99	-41.63
COC(=O)C1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1C	REAL300010833969	0	44	-1.0	-49.01	360.42	6.66	-42.35
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833970	0	41	-1.0	-56.17	349.65	6.12	-50.05
CC1CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1C(=O)[O-]	REAL300010833971	0	45	-1.0	-51.67	332.55	7.45	-44.22
CC1CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1C(=O)[O-]	REAL300010833972	0	41	-1.0	-49.18	337.82	7.22	-41.96
CC1CCN(S(=O)(=O)C2=CN=CC(Br)=C2)CC1C(=O)[O-]	REAL300010833973	0	34	-1.0	-47.18	305.89	4.28	-42.90
CC1CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1C(=O)[O-]	REAL300010833974	0	39	-1.0	-49.47	339.61	6.70	-42.77
CC1CCN(S(=O)(=O)C2=CC=C(F)C(Br)=C2)CC1C(=O)[O-]	REAL300010833975	0	35	-1.0	-48.77	316.58	6.14	-42.63
CC1CCN(S(=O)(=O)CC2CCOCC2)CC1C(=O)[O-]	REAL300010833976	0	42	-1.0	-52.66	318.68	3.98	-48.68
CC1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1C(=O)[O-]	REAL300010833977	0	42	-1.0	-71.59	357.48	3.39	-68.20
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833978	0	38	-1.0	-49.40	307.22	6.05	-43.35
COC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1Br	REAL300010833979	0	39	-1.0	-48.25	339.49	5.44	-42.81
CC1CCN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)CC1C(=O)[O-]	REAL300010833980	0	46	-1.0	-51.69	370.31	6.77	-44.92
COC(=O)C(C)CS(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833981	0	40	-1.0	-52.50	319.62	4.52	-47.98
CC1CCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)CC1C(=O)[O-]	REAL300010833982	0	43	-1.0	-52.55	368.54	2.25	-50.30
CCC(=O)NCC1=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=CC=C1OC	REAL300010833983	0	52	-1.0	-57.04	420.47	4.64	-52.40
COC1=CC=C(Br)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833984	0	39	-1.0	-52.64	329.60	5.10	-47.54
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833985	0	44	-1.0	-57.92	371.75	3.89	-54.03
CC1CCN(S(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)CC1C(=O)[O-]	REAL300010833986	0	37	-1.0	-49.17	341.15	5.42	-43.75
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833987	0	40	-1.0	-56.66	331.39	5.92	-50.74
CC1CCN(S(=O)(=O)C2=CC(Br)=CC(C#N)=C2)CC1C(=O)[O-]	REAL300010833988	0	36	-1.0	-47.87	335.00	6.52	-41.35
CC1CCN(S(=O)(=O)N(C)C2CCCC2)CC1C(=O)[O-]	REAL300010833989	0	43	-1.0	-48.24	323.16	5.00	-43.24
CC1=NOC(CS(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)=C1	REAL300010833990	0	37	-1.0	-50.02	310.05	4.29	-45.73
CC1CCN(S(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)CC1C(=O)[O-]	REAL300010833991	0	40	-1.0	-48.39	335.96	0.69	-47.70
CC1CCN(S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)CC1C(=O)[O-]	REAL300010833992	0	49	-1.0	-51.36	405.87	7.46	-43.90
COC(=O)CC1(CS(=O)(=O)N2CCC(C)C(C(=O)[O-])C2)CC1	REAL300010833993	0	44	-1.0	-51.50	349.15	5.72	-45.78
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCC(C)C(C(=O)[O-])C1	REAL300010833994	0	40	-1.0	-53.14	346.27	5.71	-47.43
CC1CCN(S(=O)(=O)C2=CN=CC(F)=C2)CC1C(=O)[O-]	REAL300010833995	0	34	-1.0	-47.76	290.97	3.76	-44.00
CC1CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1C(=O)[O-]	REAL300010833996	0	40	-1.0	-51.95	320.81	4.55	-47.40
CC1CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1C(=O)[O-]	REAL300010833997	0	43	-1.0	-60.41	346.89	6.48	-53.93
CC1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1C(=O)[O-]	REAL300010833998	0	41	-1.0	-59.53	324.79	1.64	-57.89
CC1CCN(S(=O)(=O)C2=CC=C3C(=C2)N(C)C(=O)N3C)CC1C(=O)[O-]	REAL300010833999	0	45	-1.0	-55.83	372.67	6.43	-49.40
CC1CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1C(=O)[O-]	REAL300010834000	0	40	-1.0	-52.88	331.50	5.42	-47.46
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1F	REAL300010839536	0	41	-1.0	-51.07	339.40	4.11	-46.96
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010839537	0	41	-1.0	-54.79	354.58	4.42	-50.37
COC(=O)C1CCCCC1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839538	0	46	-1.0	-52.88	362.04	5.51	-47.37
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839539	0	49	-1.0	-51.25	387.97	5.31	-45.94
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839540	0	42	-1.0	-52.26	362.18	6.03	-46.23
CC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839541	0	41	-1.0	-56.72	346.54	2.75	-53.97
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839542	0	42	-1.0	-50.78	348.87	5.95	-44.83
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010839543	0	39	-1.0	-51.06	338.18	4.29	-46.77
CC(C)(CCNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010839544	0	34	-1.0	-48.61	317.97	4.98	-43.63
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839545	0	36	-1.0	-57.80	307.02	5.35	-52.45
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010839546	0	31	-1.0	-48.83	294.00	2.58	-46.25
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010839546	1	30	-2.0	-101.71	292.34	2.21	-99.50
CC(C)(CCNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010839547	0	44	-1.0	-59.89	345.21	4.77	-55.12
CC(C)(CCNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010839548	0	46	-1.0	-51.32	340.04	5.39	-45.93
CC(C)(CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839549	0	36	-1.0	-53.93	318.43	4.55	-49.38
COC1=CC(Br)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839550	0	38	-1.0	-49.50	340.41	3.78	-45.72
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1C	REAL300010839551	0	44	-1.0	-55.99	373.24	4.90	-51.09
CC(C)(CCNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010839552	0	47	-1.0	-61.08	401.22	4.95	-56.13
CCC1=NOC2=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C12	REAL300010839553	0	41	-1.0	-53.06	351.44	1.59	-51.47
CCC1=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839554	0	36	-1.0	-49.55	319.64	2.45	-47.10
CC(C)(CCNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010839555	0	46	-1.0	-53.50	374.01	5.31	-48.19
CC(C)(CCNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010839556	0	34	-1.0	-52.12	304.90	4.61	-47.51
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010839556	1	33	-2.0	-111.94	304.01	4.29	-107.65
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Cl)=N1	REAL300010839557	0	36	-1.0	-50.88	308.68	2.66	-48.22
COC1=CC(C#N)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839558	0	39	-1.0	-52.07	330.87	4.09	-47.98
CC(C)(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010839559	0	41	-1.0	-52.31	346.88	5.57	-46.74
CSC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839560	0	38	-1.0	-50.68	345.41	5.35	-45.33
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839561	0	36	-1.0	-50.92	329.50	4.25	-46.67
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839562	0	44	-1.0	-62.00	373.25	0.43	-61.57
COC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300010839563	0	37	-1.0	-49.83	331.03	1.84	-47.99
CC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839564	0	39	-1.0	-53.77	332.37	4.36	-49.41
CCN1C(=O)OC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839565	0	43	-1.0	-54.95	366.13	4.84	-50.11
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010839566	0	49	-1.0	-53.07	403.96	4.32	-48.75
CC(C)(CCNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839567	0	33	-1.0	-52.45	310.80	3.62	-48.83
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839568	0	52	0.0	-80.47	406.66	5.08	-75.39
CCC1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839569	0	43	-1.0	-53.37	356.27	6.02	-47.35
CC1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839570	0	40	-1.0	-54.44	340.68	5.30	-49.14
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839571	0	37	-1.0	-47.97	326.19	5.39	-42.58
CC(C)(CCNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010839572	0	38	-1.0	-57.60	328.03	3.93	-53.67
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010839573	0	34	-1.0	-48.53	309.77	4.26	-44.27
COC1=CC=CC(OC)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839574	0	42	-1.0	-55.47	344.19	4.39	-51.08
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010839575	0	43	-1.0	-50.84	352.25	5.30	-45.54
CC1=CC=CC(F)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839576	0	37	-1.0	-52.36	304.49	4.61	-47.75
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839577	0	48	-1.0	-53.70	411.99	4.99	-48.71
CC(C)(CCNS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010839578	0	38	-1.0	-55.23	312.22	3.07	-52.16
CC(C)(CCNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010839579	0	35	-1.0	-50.83	312.66	4.31	-46.52
CC1=NC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])=CS1	REAL300010839580	0	36	-1.0	-55.11	319.96	2.27	-52.84
CC(C)(CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010839581	0	37	-1.0	-55.85	334.16	2.93	-52.92
COC(=O)CCCCCS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839582	0	45	-1.0	-58.03	373.42	4.72	-53.31
CN1N=CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN=C21	REAL300010839583	0	39	-1.0	-52.99	334.55	3.01	-49.98
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839584	0	42	-1.0	-54.44	357.37	2.09	-52.35
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839586	0	37	-1.0	-47.96	345.67	5.39	-42.57
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839587	0	45	-1.0	-55.26	355.57	1.84	-53.42
COC1=C(F)C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839588	0	40	-1.0	-50.74	353.68	4.71	-46.03
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839589	0	44	-1.0	-51.84	380.90	3.23	-48.61
COC1=CC=C(CCS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839590	0	44	-1.0	-54.06	364.38	4.67	-49.39
CC(C)(CCNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010839591	0	37	-1.0	-53.46	329.27	2.72	-50.74
CC(C)(CCNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010839592	0	45	-1.0	-54.62	371.35	5.21	-49.41
CC1=CC=NC2=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010839593	0	42	-1.0	-55.60	340.40	5.54	-50.06
CC(C)(CCNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010839594	0	37	-1.0	-51.76	322.39	4.75	-47.01
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010839595	0	37	-1.0	-48.71	327.20	4.64	-44.07
CC1=CC(Br)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839596	0	37	-1.0	-49.05	332.92	5.16	-43.89
CSC1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839597	0	38	-1.0	-51.93	313.75	4.14	-47.79
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839598	0	45	-1.0	-55.13	360.97	3.43	-51.70
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010839599	0	46	-1.0	-59.10	375.82	3.13	-55.97
CC(C)(CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010839600	0	42	-1.0	-51.53	359.06	5.12	-46.41
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839601	0	44	-1.0	-51.84	380.90	3.23	-48.61
CN(C)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839602	0	42	-1.0	-51.22	341.15	4.27	-46.95
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010839603	0	37	-1.0	-54.28	336.56	5.16	-49.12
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010839604	0	44	-1.0	-52.47	364.83	4.36	-48.11
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=CS1	REAL300010839605	0	40	-1.0	-54.17	345.02	5.13	-49.04
COC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1F	REAL300010839606	0	38	-1.0	-50.20	325.36	3.23	-46.97
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839607	0	45	-1.0	-54.23	380.57	3.97	-50.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839608	0	48	-1.0	-53.88	407.33	5.11	-48.77
CC(C)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839609	0	43	-1.0	-49.85	343.92	5.96	-43.89
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010839610	0	48	-1.0	-49.70	405.25	7.25	-42.45
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839611	0	42	-1.0	-54.61	361.83	6.04	-48.57
C[NH+](C)CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839612	0	46	0.0	-80.72	368.04	5.78	-74.94
CN(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839613	0	42	-1.0	-51.41	342.12	4.29	-47.12
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010839614	0	49	-1.0	-52.17	413.91	6.55	-45.62
CC(C)(CCNS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010839615	0	37	-1.0	-52.11	325.11	4.47	-47.64
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839616	0	46	-1.0	-53.62	381.51	6.36	-47.26
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010839617	0	34	-1.0	-48.20	313.90	4.46	-43.74
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010839617	1	33	-2.0	-100.37	323.13	4.62	-95.75
CC1=C(Cl)SC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839618	0	34	-1.0	-48.00	318.59	4.08	-43.92
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010839619	0	40	-1.0	-51.63	335.91	4.39	-47.24
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839620	0	38	-1.0	-51.03	317.94	2.93	-48.10
CC1=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010839621	0	42	-1.0	-57.90	346.37	6.84	-51.06
CC(C)(CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010839622	0	40	-1.0	-51.90	351.22	5.67	-46.23
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010839623	0	44	-1.0	-48.05	375.27	6.84	-41.21
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839624	0	37	-1.0	-48.04	331.40	5.43	-42.61
CC(C)(CCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010839625	0	39	-1.0	-52.50	330.82	4.23	-48.27
CC1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839626	0	40	-1.0	-54.75	340.69	5.30	-49.45
CC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839627	0	42	-1.0	-52.51	348.91	5.96	-46.55
CC(C)(CCNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010839628	0	34	-1.0	-50.77	320.92	5.05	-45.72
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010839629	0	44	-1.0	-48.05	375.27	6.84	-41.21
CC(C)(CCNS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010839630	0	33	-1.0	-48.44	307.34	2.53	-45.91
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010839631	0	34	-1.0	-48.88	326.34	4.95	-43.93
CC(C)(CCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010839632	0	45	-1.0	-52.36	386.14	3.69	-48.67
CC(C)(CC[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010839633	0	33	-2.0	-104.27	309.04	3.90	-100.37
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839634	0	44	-1.0	-52.56	348.59	5.42	-47.14
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839635	0	37	-1.0	-50.05	316.80	0.55	-49.50
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C#N	REAL300010839636	0	38	-1.0	-50.80	330.19	4.77	-46.03
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839637	0	40	-1.0	-53.63	348.94	4.56	-49.07
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839638	0	38	-1.0	-51.49	326.87	4.23	-47.26
CC(C)(CCNS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010839639	0	35	-1.0	-52.21	317.70	2.65	-49.56
CC(C)(CCNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010839640	0	47	-1.0	-54.15	378.95	7.17	-46.98
CC(C)(C)C1=CC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])=NO1	REAL300010839641	0	45	-1.0	-55.48	372.08	4.60	-50.88
CC(C)(CCNC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010839642	0	51	-1.0	-48.08	386.30	9.97	-38.11
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010839643	0	48	-1.0	-50.93	384.04	6.08	-44.85
COC1=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839644	0	41	-1.0	-51.32	334.40	4.08	-47.24
COC(=O)C1=CN=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839645	0	39	-1.0	-52.11	340.15	2.73	-49.38
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010839646	0	35	-1.0	-51.30	330.12	4.77	-46.53
CC(C)(CCNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839647	0	36	-1.0	-47.07	332.61	4.96	-42.11
CC(C)(CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839647	1	35	-2.0	-96.12	341.76	5.10	-91.02
COC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839648	0	41	-1.0	-50.05	350.68	4.49	-45.56
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839649	0	40	-1.0	-48.59	364.15	4.51	-44.08
CN(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839650	0	41	-1.0	-51.79	338.29	3.65	-48.14
COC1=CC(Cl)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OC	REAL300010839651	0	42	-1.0	-49.89	350.54	3.12	-46.77
CC(C)(CCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010839652	0	38	-1.0	-51.75	335.10	3.51	-48.24
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010839653	0	37	-1.0	-49.23	334.53	4.94	-44.29
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839654	0	45	-1.0	-55.14	382.07	0.84	-54.30
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2S1	REAL300010839655	0	46	-1.0	-52.14	404.83	6.92	-45.22
CC(C)(CCNS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010839656	0	38	-1.0	-56.55	332.46	5.04	-51.51
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010839657	0	40	-1.0	-57.69	340.96	3.29	-54.40
CC(C)(CCNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010839658	0	39	-1.0	-58.80	346.39	-0.53	-59.33
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839659	0	40	-1.0	-51.59	343.18	4.30	-47.29
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839660	0	42	-1.0	-55.77	354.87	5.19	-50.58
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010839661	0	38	-1.0	-50.52	336.13	3.92	-46.60
CC1=CC2=C(C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-])OCO2	REAL300010839662	0	40	-1.0	-50.68	330.40	3.43	-47.25
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839663	0	40	-1.0	-52.68	332.32	5.00	-47.68
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010839664	0	34	-1.0	-47.60	308.60	4.43	-43.17
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839665	0	40	-1.0	-47.67	322.11	5.43	-42.24
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010839666	0	34	-1.0	-48.75	322.82	5.12	-43.63
COC1=CC2=C(C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-])OCC(=O)N2	REAL300010839667	0	44	-1.0	-54.35	360.81	0.92	-53.43
CC(C)(CC[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010839668	0	35	-2.0	-98.84	337.85	4.72	-94.12
CC(C)(CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010839668	1	36	-1.0	-47.48	332.28	4.79	-42.69
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010839669	0	32	-1.0	-50.28	302.12	3.42	-46.86
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010839670	0	36	-1.0	-47.49	329.13	4.68	-42.81
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010839670	1	35	-2.0	-95.25	333.53	4.59	-90.66
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010839671	0	34	-1.0	-46.96	318.12	5.18	-41.78
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010839671	1	33	-2.0	-99.68	317.40	4.86	-94.82
CC(C)(CCNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010839672	0	35	-1.0	-53.39	307.96	2.26	-51.13
COC1=CN=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839673	0	37	-1.0	-50.80	314.19	1.33	-49.47
CC(C)(CCNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010839674	0	34	-1.0	-50.85	309.07	4.24	-46.61
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1OC	REAL300010839675	0	44	-1.0	-53.20	372.29	4.59	-48.61
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010839676	0	34	-1.0	-48.29	322.82	5.11	-43.18
CC(C)(CCNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010839677	0	37	-1.0	-53.61	330.11	5.08	-48.53
CC(=O)NC1=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839678	0	37	-1.0	-57.72	335.17	1.36	-56.36
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839678	1	36	-2.0	-91.38	331.86	0.24	-91.14
CC(C)(CCNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010839679	0	37	-1.0	-53.60	334.68	5.20	-48.40
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010839680	0	38	-1.0	-54.35	340.88	1.16	-53.19
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839681	0	43	-1.0	-55.90	356.17	6.28	-49.62
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839682	0	42	-1.0	-59.63	341.76	1.57	-58.06
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010839683	0	38	-1.0	-54.18	345.44	1.25	-52.93
CCOC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839684	0	41	-1.0	-51.83	341.57	4.10	-47.73
CC(C)(CCNS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300010839685	0	45	-1.0	-52.84	359.99	5.12	-47.72
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010839686	0	38	-1.0	-51.88	346.87	5.06	-46.82
COCCN(CCC#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839687	0	43	-1.0	-54.82	354.86	2.31	-52.51
CC1=CC=C(CCS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839688	0	43	-1.0	-52.54	356.86	6.06	-46.48
COC1=CC=C(Br)C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839689	0	41	-1.0	-53.34	360.15	4.45	-48.89
CC(C)(CCNS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010839690	0	38	-1.0	-52.47	319.94	1.09	-51.38
CCN(CC(C)C#N)S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839691	0	42	-1.0	-52.38	337.41	3.78	-48.60
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010839692	0	37	-1.0	-52.32	308.67	2.38	-49.94
CC(C)(CCNS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010839693	0	35	-1.0	-53.82	311.88	4.13	-49.69
CC(C)(CCNS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010839694	0	35	-1.0	-51.34	313.47	4.24	-47.10
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839695	0	40	-1.0	-48.31	343.05	5.75	-42.56
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010839696	0	40	-1.0	-54.65	339.97	4.90	-49.75
COCCOCCOCCS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839697	0	48	-1.0	-55.32	398.68	1.19	-54.13
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839698	0	44	-1.0	-59.71	371.42	1.23	-58.48
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010839699	0	33	-2.0	-108.29	310.33	4.34	-103.95
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010839699	1	34	-1.0	-50.92	312.56	4.73	-46.19
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2CC1	REAL300010839700	0	51	-1.0	-57.69	402.78	5.84	-51.85
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010839701	0	43	-1.0	-53.65	375.15	5.34	-48.31
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1OC	REAL300010839702	0	44	-1.0	-50.75	384.19	5.49	-45.26
CCCC1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839703	0	43	-1.0	-49.57	356.26	6.13	-43.44
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839704	0	43	-1.0	-49.38	351.51	5.83	-43.55
CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010839705	0	41	-1.0	-55.65	327.19	2.43	-53.22
CNC(=O)C1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839706	0	44	-1.0	-59.55	370.44	2.87	-56.68
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010839707	0	34	-1.0	-49.40	304.61	4.15	-45.25
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010839707	1	33	-2.0	-106.90	309.61	4.06	-102.84
CC(C)(CCNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010839708	0	47	-1.0	-55.49	390.40	5.43	-50.06
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010839709	0	43	-1.0	-49.02	377.00	5.59	-43.43
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010839709	1	42	-2.0	-101.87	382.61	5.52	-96.35
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010839710	0	36	-1.0	-50.63	335.68	5.64	-44.99
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010839710	1	35	-2.0	-103.51	334.93	5.31	-98.20
CC(C)(CCNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010839711	0	43	-1.0	-61.55	351.34	1.06	-60.49
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839712	0	41	-2.0	-105.97	355.61	4.99	-100.98
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1OC	REAL300010839713	0	45	-1.0	-54.38	385.40	3.66	-50.72
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010839714	0	46	-1.0	-49.93	380.50	5.75	-44.18
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839715	0	48	-1.0	-59.02	401.75	2.07	-56.95
COCC1=CC=C(OC)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839716	0	45	-1.0	-53.66	365.22	3.43	-50.23
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839717	0	47	-1.0	-55.90	386.66	5.28	-50.62
CCOC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C	REAL300010839718	0	46	-1.0	-51.63	382.32	5.98	-45.65
CC(C)(CCNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010839719	0	37	-1.0	-49.92	315.60	4.75	-45.17
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839720	0	46	-1.0	-55.31	388.44	6.23	-49.08
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839721	0	40	-1.0	-51.37	362.46	6.57	-44.80
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839721	1	39	-2.0	-111.14	364.72	6.09	-105.05
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010839722	0	37	-1.0	-49.88	331.27	5.95	-43.93
CC(COC1CCCC1)CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839723	0	50	-1.0	-52.82	391.02	5.24	-47.58
CC1=C(CCS(=O)(=O)NCCC(C)(C)C(=O)[O-])SC=N1	REAL300010839724	0	39	-1.0	-53.46	338.98	3.10	-50.36
CC(C)(CCNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010839725	0	40	-1.0	-53.02	351.61	5.88	-47.14
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839726	0	43	-1.0	-52.98	365.06	5.21	-47.77
CC(C)(CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010839727	0	44	-1.0	-51.49	364.41	7.29	-44.20
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839728	0	48	-1.0	-54.63	408.76	1.65	-52.98
CC(C)(CCNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010839729	0	37	-1.0	-53.14	330.75	5.16	-47.98
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1C	REAL300010839730	0	46	-1.0	-54.79	391.64	5.06	-49.73
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010839731	0	40	-1.0	-55.65	360.73	1.81	-53.84
CC(C)(CCNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010839732	0	38	-1.0	-52.14	337.96	4.75	-47.39
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010839733	0	37	-1.0	-50.91	321.80	4.74	-46.17
CC1=NC(Cl)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839734	0	36	-1.0	-48.80	317.88	3.28	-45.52
CC1=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010839735	0	37	-1.0	-53.59	330.60	3.45	-50.14
CC1=NC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010839735	1	36	-2.0	-115.51	327.99	2.92	-112.59
CC(C)(CCNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010839736	0	35	-1.0	-50.36	313.58	2.73	-47.63
COC(=O)C(C)(C)CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839737	0	42	-1.0	-51.36	338.53	3.79	-47.57
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839738	0	47	-1.0	-59.86	381.77	4.70	-55.16
CC(C)(CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010839739	0	37	-2.0	-88.92	326.83	3.48	-85.44
CC(C)(CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010839739	1	38	-1.0	-50.16	338.10	2.60	-47.56
CCOC(=O)CC1(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839740	0	43	-1.0	-57.69	350.88	5.12	-52.57
CC(C)(CCNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010839741	0	35	-1.0	-48.50	328.90	4.53	-43.97
CC(C)(CC[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010839741	1	34	-2.0	-98.51	333.93	4.44	-94.07
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839742	0	45	-1.0	-54.15	380.85	3.24	-50.91
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010839743	0	49	-1.0	-51.09	402.56	6.68	-44.41
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839744	0	46	-1.0	-56.65	393.29	3.09	-53.56
CC(C)(CCNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010839745	0	39	-1.0	-53.97	336.05	1.06	-52.91
COC(=O)C1(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])CCCC1	REAL300010839746	0	46	-1.0	-56.99	364.08	4.92	-52.07
CC(C)(CCNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010839747	0	33	-1.0	-48.04	320.91	3.03	-45.01
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839748	0	41	-1.0	-50.01	361.42	4.09	-45.92
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010839749	0	40	-1.0	-48.96	344.05	5.38	-43.58
CC(C)(CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010839750	0	45	-1.0	-50.16	395.01	7.23	-42.93
COC(=O)CC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839751	0	43	-1.0	-55.46	367.15	5.31	-50.15
CC(C)(CCNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010839752	0	36	-1.0	-54.01	314.54	3.64	-50.37
CC(C)(CCNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010839753	0	44	-1.0	-51.71	334.87	5.33	-46.38
CC(C)(CCNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010839754	0	40	-1.0	-52.33	351.65	5.82	-46.51
COC(=O)C1(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])CCC1	REAL300010839755	0	43	-1.0	-57.10	348.58	4.26	-52.84
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010839756	0	34	-1.0	-48.31	322.77	4.07	-44.24
CC(C)(CCNS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010839757	0	38	-1.0	-56.63	338.09	4.87	-51.76
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839758	0	47	-1.0	-53.47	399.46	4.22	-49.25
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839759	0	50	-1.0	-53.17	421.91	5.17	-48.00
COC(=O)C1(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	REAL300010839760	0	49	-1.0	-56.39	375.80	5.35	-51.04
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN=C1C	REAL300010839761	0	42	-1.0	-49.80	356.46	3.22	-46.58
CC(C)(CCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010839762	0	38	-1.0	-50.57	333.67	3.43	-47.14
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839763	0	43	-1.0	-50.96	383.00	5.96	-45.00
CC(C)(CCNS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010839764	0	35	-1.0	-52.09	316.33	4.29	-47.80
CC(C)(CCNS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010839765	0	44	-1.0	-53.53	347.38	3.16	-50.37
CC(C)(CCNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010839766	0	50	-1.0	-59.80	423.30	5.75	-54.05
CC1=CC(C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S1	REAL300010839767	0	37	-1.0	-49.48	319.81	4.50	-44.98
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010839768	0	36	-1.0	-49.26	326.99	3.13	-46.13
CC(C)(CCNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010839769	0	47	-1.0	-51.63	347.04	5.88	-45.75
CC(C)(CCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010839770	0	43	-1.0	-52.60	355.01	5.47	-47.13
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010839771	0	35	-1.0	-51.47	317.98	3.14	-48.33
CC(C)(CCNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010839772	0	40	-1.0	-55.05	346.13	5.46	-49.59
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010839773	0	37	-1.0	-54.37	329.09	2.83	-51.54
CN1C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010839773	1	36	-2.0	-107.60	326.59	2.33	-105.27
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839774	0	36	-1.0	-49.80	329.71	5.91	-43.89
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010839774	1	35	-2.0	-103.12	328.49	5.64	-97.48
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010839775	0	43	-1.0	-50.22	359.23	4.83	-45.39
CC1=CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010839776	0	42	-1.0	-51.90	366.68	5.26	-46.64
CC(C)(CCNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010839777	0	43	-1.0	-51.20	343.25	5.02	-46.18
CC(C)(CCNS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010839778	0	44	-1.0	-53.00	368.90	4.63	-48.37
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C(C)C)=C1	REAL300010839779	0	61	-1.0	-48.29	451.56	9.92	-38.37
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010839780	0	39	-1.0	-52.72	336.41	5.41	-47.31
CCOC(=O)C1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839781	0	46	-1.0	-56.33	390.63	6.19	-50.14
COC(=O)C1=NC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839782	0	39	-1.0	-56.03	330.03	3.57	-52.46
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839783	0	41	-1.0	-49.67	357.85	4.16	-45.51
CC(C)(CCNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010839784	0	41	-1.0	-49.93	338.84	5.97	-43.96
COC1=CC=C2C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CCC2=C1	REAL300010839785	0	46	-1.0	-51.33	374.13	5.58	-45.75
CC(C)(CCNS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010839786	0	42	-1.0	-50.67	350.74	4.85	-45.82
CC(C)(CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010839787	0	37	-1.0	-50.04	326.37	4.33	-45.71
CC(C)(CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010839787	1	36	-2.0	-104.45	324.13	3.95	-100.50
CC(C)(CCNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010839788	0	37	-1.0	-50.43	340.92	5.93	-44.50
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010839788	1	36	-2.0	-109.88	338.67	5.52	-104.36
CC(C)(CCNS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010839789	0	37	-1.0	-54.17	340.97	5.26	-48.91
CC(C)(CCNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010839790	0	43	-1.0	-63.88	374.65	2.10	-61.78
CC(C)(CCNS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010839791	0	37	-1.0	-53.01	311.72	4.07	-48.94
CC(C)(CCNS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010839792	0	46	-1.0	-51.84	356.24	5.55	-46.29
CC1=CC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010839793	0	43	-1.0	-51.24	356.91	6.80	-44.44
CC(C)(CCNS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010839794	0	31	-1.0	-50.11	293.44	3.18	-46.93
CC(C)(CC[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010839794	1	30	-2.0	-105.42	295.94	2.95	-102.47
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839795	0	43	-1.0	-50.45	373.51	5.86	-44.59
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010839796	0	49	-1.0	-58.58	411.82	4.43	-54.15
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839797	0	47	-1.0	-55.84	386.65	4.24	-51.60
CC(C)(CCNS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010839798	0	37	-1.0	-53.61	332.85	5.07	-48.54
CC(C)(CCNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010839799	0	40	-1.0	-52.06	333.35	5.88	-46.18
CCC1=CC(CC)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(CC)=C1	REAL300010839800	0	52	-1.0	-48.58	390.16	8.59	-39.99
CC(C)(CCNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010839801	0	39	-1.0	-52.47	326.01	3.71	-48.76
CC(C)(CCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010839802	0	41	-1.0	-54.43	345.62	3.62	-50.81
CC(C)(CCNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010839803	0	36	-1.0	-50.83	338.36	3.79	-47.04
COC1=CC(OC)=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839804	0	42	-1.0	-52.26	355.69	3.57	-48.69
CC(C)(CCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010839805	0	42	-1.0	-53.01	361.36	2.43	-50.58
CC(C)(CCNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010839806	0	39	-1.0	-57.20	344.45	-1.17	-58.37
CC(C)(CCNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010839807	0	45	-1.0	-61.78	363.45	0.99	-60.79
COC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300010839808	0	38	-1.0	-49.56	335.16	3.72	-45.84
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010839809	0	37	-1.0	-51.98	320.15	1.14	-50.84
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839810	0	47	-1.0	-54.58	385.78	5.25	-49.33
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010839811	0	39	-1.0	-52.82	319.32	3.75	-49.07
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010839812	0	43	-1.0	-49.74	360.69	6.86	-42.88
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010839813	0	38	-1.0	-50.05	326.08	4.03	-46.02
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010839814	0	38	-1.0	-49.77	336.41	4.49	-45.28
COC(=O)CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839815	0	43	-1.0	-55.45	372.62	5.37	-50.08
COC(CC1=CC=CC=C1)CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839816	0	47	-1.0	-55.67	381.56	5.81	-49.86
COC(CC(C)C)CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839817	0	46	-1.0	-54.14	360.05	4.10	-50.04
COC1=CC=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839818	0	38	-1.0	-51.93	316.54	3.77	-48.16
CC(C)(CCNS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010839819	0	37	-1.0	-51.73	348.17	5.64	-46.09
CC(C)(CCNS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010839820	0	44	-1.0	-54.18	350.42	3.15	-51.03
CC(C)(CCNS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010839821	0	37	-1.0	-51.36	347.40	5.65	-45.71
CC(C)(CCNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010839822	0	37	-1.0	-50.37	329.81	2.98	-47.39
CCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010839823	0	42	-1.0	-53.68	352.07	5.70	-47.98
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839824	0	50	-1.0	-52.12	386.84	6.02	-46.10
CC(C)(CCNS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010839825	0	41	-1.0	-58.62	356.21	5.77	-52.85
COC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839826	0	38	-1.0	-51.99	319.12	3.16	-48.83
COC1=NC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839827	0	37	-1.0	-49.25	333.46	1.10	-48.15
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1	REAL300010839828	0	43	-1.0	-51.30	364.45	5.22	-46.08
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839829	0	43	-1.0	-50.61	383.12	5.52	-45.09
CC(C)(CCNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010839830	0	37	-1.0	-53.19	330.11	5.10	-48.09
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300010839831	0	37	-1.0	-48.85	325.68	4.97	-43.88
CC(C)(CCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010839832	0	40	-1.0	-56.09	337.74	4.85	-51.24
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010839833	0	43	-1.0	-51.52	376.44	5.35	-46.17
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1F	REAL300010839834	0	40	-1.0	-51.36	358.10	4.75	-46.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839834	1	39	-2.0	-109.32	362.51	4.66	-104.66
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839835	0	43	-1.0	-52.70	362.91	4.90	-47.80
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839836	0	41	-1.0	-50.36	341.55	4.10	-46.26
CC1=C(Br)C=CC=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839837	0	40	-1.0	-53.12	345.81	5.75	-47.37
CC(C)(CCNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010839838	0	47	-1.0	-53.50	368.29	3.92	-49.58
CC(C)(CCNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010839839	0	49	-1.0	-53.81	404.24	1.66	-52.15
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010839840	0	42	-1.0	-52.57	328.46	4.90	-47.67
CC(C)(CCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010839841	0	41	-1.0	-57.92	354.73	1.72	-56.20
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010839842	0	34	-1.0	-49.38	312.81	4.45	-44.93
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])SC(Br)=C1	REAL300010839843	0	34	-1.0	-47.56	320.10	4.43	-43.13
CC(C)(CCNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010839844	0	43	-1.0	-51.06	352.20	4.19	-46.87
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839845	0	44	-1.0	-53.89	350.81	2.35	-51.54
CC(C)(CCNS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010839846	0	40	-1.0	-53.46	341.87	5.45	-48.01
CC(C)(CCNS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010839847	0	40	-1.0	-53.46	341.03	5.42	-48.04
CC(C)(CCNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010839848	0	40	-1.0	-52.53	348.15	5.74	-46.79
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839849	0	38	-1.0	-49.58	337.73	4.38	-45.20
COC1=CC2=C(C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(=O)NCCC2	REAL300010839850	0	49	-1.0	-58.92	386.83	2.80	-56.12
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])S2)C1	REAL300010839851	0	45	-1.0	-54.64	380.55	4.34	-50.30
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010839852	0	41	-1.0	-51.36	359.86	6.15	-45.21
COC1CCN(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839853	0	43	-1.0	-50.51	338.25	1.97	-48.54
COC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1CCOC1	REAL300010839854	0	45	-1.0	-52.38	354.40	1.69	-50.69
CC(C)(CCNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010839855	0	37	-1.0	-51.72	337.06	5.22	-46.50
CC(C)(CCNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010839856	0	37	-1.0	-52.12	333.84	5.10	-47.02
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010839857	0	34	-1.0	-47.63	327.64	4.99	-42.64
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839858	0	41	-1.0	-57.19	345.55	1.30	-55.89
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839859	0	59	-1.0	-49.98	469.97	8.80	-41.18
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839860	0	49	-1.0	-54.11	399.48	6.20	-47.91
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010839861	0	34	-1.0	-49.21	317.22	4.54	-44.67
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839862	0	40	-1.0	-53.63	348.94	4.56	-49.07
COC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010839863	0	48	-1.0	-51.66	398.38	6.94	-44.72
CC(C)(CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010839864	0	48	-1.0	-53.13	407.69	7.23	-45.90
CC(C)(CCNS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010839865	0	33	-1.0	-52.62	298.63	2.92	-49.70
CC(C)(CC[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010839865	1	32	-2.0	-112.69	300.48	2.27	-110.42
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C2)=N1	REAL300010839866	0	46	-1.0	-53.21	382.32	3.87	-49.34
COC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010839867	0	44	-1.0	-53.65	371.44	4.98	-48.67
CC(C)(CCNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010839868	0	46	-1.0	-54.22	373.69	5.30	-48.92
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010839869	0	40	-1.0	-51.06	337.03	2.84	-48.22
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1Cl	REAL300010839870	0	42	-1.0	-51.20	371.52	2.76	-48.44
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=CC=C12	REAL300010839871	0	46	-1.0	-52.03	381.28	6.74	-45.29
COC(=O)NC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C	REAL300010839872	0	45	-1.0	-53.66	375.92	3.07	-50.59
CCOC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1CC1	REAL300010839873	0	44	-1.0	-52.53	353.70	4.18	-48.35
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1F	REAL300010839874	0	40	-1.0	-51.53	347.77	4.31	-47.22
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839874	1	39	-2.0	-108.76	352.18	4.21	-104.55
CC(=O)N1CCC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(Cl)C=C21	REAL300010839875	0	45	-1.0	-58.33	370.18	4.93	-53.40
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839876	0	47	-1.0	-51.65	379.66	5.53	-46.12
COC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1CCCC1	REAL300010839877	0	47	-1.0	-52.22	366.97	4.19	-48.03
COC(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C1CCCCC1	REAL300010839878	0	50	-1.0	-52.70	381.31	4.89	-47.81
CC(C)(CCNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010839879	0	37	-1.0	-49.61	329.95	3.38	-46.23
CCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010839880	0	53	-1.0	-49.69	421.67	6.93	-42.76
CC(C)(CCNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010839881	0	37	-1.0	-58.00	339.67	3.68	-54.32
COC1=CC(F)=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839882	0	38	-1.0	-50.18	317.12	3.78	-46.40
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010839883	0	42	-1.0	-52.01	353.34	6.34	-45.67
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839884	0	41	-1.0	-49.03	336.18	3.75	-45.28
CC(C)(CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010839885	0	47	-1.0	-50.12	390.59	6.19	-43.93
COC(=O)C1=C(C)C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300010839886	0	40	-1.0	-50.49	347.05	3.24	-47.25
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])O1	REAL300010839886	1	39	-2.0	-102.70	344.81	2.85	-99.85
CCC1=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300010839887	0	47	-1.0	-54.44	382.24	5.81	-48.63
CC(=O)N1CC2=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C2C1	REAL300010839888	0	45	-1.0	-57.43	373.65	4.34	-53.09
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839889	0	37	-1.0	-48.63	331.82	2.49	-46.14
CC(C)(CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010839890	0	45	-1.0	-51.49	390.25	7.96	-43.53
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839891	0	37	-1.0	-48.06	331.40	5.42	-42.64
CC(C)(CCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010839892	0	44	-1.0	-53.41	355.72	7.27	-46.14
CC1=CC=C(Br)C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839893	0	40	-1.0	-52.38	351.51	5.79	-46.59
COC1=CC=CC(Br)=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839894	0	41	-1.0	-53.94	358.34	4.51	-49.43
CC(C)(CCNS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010839895	0	40	-1.0	-53.81	346.10	5.43	-48.38
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(F)=C1F	REAL300010839896	0	37	-1.0	-51.64	314.52	4.34	-47.30
CC(C)(CCNS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010839897	0	33	-1.0	-50.21	304.44	2.21	-48.00
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010839897	1	32	-2.0	-103.58	309.93	2.16	-101.42
CC(C)OC1=CN=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839898	0	43	-1.0	-49.21	354.65	2.93	-46.28
CC(C)(CCNS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010839899	0	40	-1.0	-57.43	350.61	2.30	-55.13
CC(C)(CCNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010839900	0	41	-1.0	-51.73	365.16	3.16	-48.57
COC(=O)C1=C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])OC=C1	REAL300010839901	0	36	-2.0	-114.18	320.76	2.86	-111.32
COC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])OC=C1	REAL300010839901	1	37	-1.0	-56.04	321.15	3.22	-52.82
CCC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(C)C=C1OC	REAL300010839902	0	47	-1.0	-50.12	375.49	5.54	-44.58
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010839903	0	40	-1.0	-49.07	360.84	5.75	-43.32
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839904	0	42	-1.0	-53.73	360.10	4.87	-48.86
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=N1	REAL300010839905	0	35	-2.0	-119.67	315.73	2.38	-117.29
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=N1	REAL300010839905	1	36	-1.0	-57.28	317.30	2.87	-54.41
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839906	0	37	-1.0	-47.71	340.40	5.84	-41.87
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010839907	0	43	-1.0	-51.29	340.36	6.92	-44.37
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010839908	0	41	-1.0	-50.40	359.73	3.76	-46.64
CC(C)(CCNS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010839909	0	38	-1.0	-55.70	322.95	5.18	-50.52
CC1=CC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C2NC1=O	REAL300010839910	0	43	-1.0	-54.34	361.27	3.61	-50.73
CN1N=NC2=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=CC=C21	REAL300010839911	0	39	-1.0	-55.12	333.48	2.31	-52.81
CC1=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010839912	0	43	-1.0	-53.41	370.44	5.50	-47.91
CC(C)(CCNS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010839913	0	34	-1.0	-53.73	306.89	1.50	-52.23
CC(C)(CC[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010839913	1	33	-2.0	-104.33	303.05	1.00	-103.33
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010839914	0	39	-1.0	-49.07	335.37	4.93	-44.14
CC(C)(CCNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010839915	0	40	-1.0	-51.39	345.27	5.07	-46.32
CC(C)(CCNS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010839916	0	46	0.0	-80.20	359.46	4.84	-75.36
C[NH+]1CCN(CCCS(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839917	0	51	0.0	-78.58	392.00	3.10	-75.48
CN1CCN(CCCS(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300010839917	1	50	-1.0	-53.30	387.36	0.59	-52.71
CN1N=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1Br	REAL300010839918	0	34	-1.0	-48.62	302.65	1.58	-47.04
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839919	0	38	-1.0	-52.57	322.94	4.92	-47.65
CC(C)OC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300010839920	0	43	-1.0	-50.18	358.79	2.41	-47.77
CCCCN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C)=N1	REAL300010839921	0	46	-1.0	-51.89	379.72	4.56	-47.33
COC(=O)C1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C(OC)C=C1F	REAL300010839922	0	44	-1.0	-53.05	369.35	4.39	-48.66
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839923	0	44	-1.0	-55.92	363.62	4.67	-51.25
COC1=C(F)C=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839924	0	38	-1.0	-50.16	314.84	3.99	-46.17
CCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010839925	0	50	-1.0	-49.94	400.17	6.13	-43.81
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839926	0	46	-1.0	-49.43	367.85	6.13	-43.30
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010839927	0	35	-1.0	-50.49	317.44	4.34	-46.15
CC(C)(CCNS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010839928	0	37	-1.0	-52.09	333.85	5.10	-46.99
CC(C)(CCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010839929	0	53	-1.0	-52.96	415.23	8.38	-44.58
CC(C)(CCNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010839930	0	38	-1.0	-53.53	316.19	3.51	-50.02
CC(C)(CCNS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010839931	0	31	-1.0	-53.04	288.48	1.98	-51.06
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010839931	1	30	-2.0	-112.53	288.42	1.42	-111.11
CC(C)(CCNS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010839932	0	42	-1.0	-57.01	358.23	4.71	-52.30
CC(C)(CCNS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010839933	0	33	-1.0	-47.15	303.84	2.54	-44.61
CC(C)(CC[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010839933	1	32	-2.0	-99.82	312.42	2.68	-97.14
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010839934	0	33	-1.0	-50.26	300.44	2.15	-48.11
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010839934	1	32	-2.0	-103.15	304.75	2.07	-101.08
CC(C)(CCNS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010839935	0	33	-1.0	-50.67	289.98	1.66	-49.01
CC(C)(CC[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010839935	1	32	-2.0	-102.59	294.88	1.60	-100.99
COC1=NC=C(Br)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839936	0	37	-1.0	-49.05	329.90	1.69	-47.36
CC(C)(CCNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010839937	0	39	-1.0	-53.02	345.71	4.73	-48.29
CC(C)(CCNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010839938	0	36	-1.0	-49.90	329.38	3.74	-46.16
CC(C)(CCNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010839939	0	44	-1.0	-51.99	370.45	4.52	-47.47
CC(C)(CCNS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010839940	0	38	-1.0	-64.92	321.42	1.14	-63.78
CC(C)(CCNS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010839941	0	37	-1.0	-50.90	331.93	4.72	-46.18
CC(C)(CCNS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010839942	0	33	-1.0	-53.41	318.45	2.23	-51.18
CCS(=O)(CC)=NS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839943	0	40	-1.0	-64.96	334.65	1.46	-63.50
CC1=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010839944	0	36	-1.0	-53.98	324.02	5.17	-48.81
CC(C)(CCNS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010839945	0	42	-1.0	-55.95	334.44	2.81	-53.14
CCN1CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CC1=O	REAL300010839946	0	41	-1.0	-59.68	338.11	2.56	-57.12
CCOC(=O)C1(S(=O)(=O)NCCC(C)(C)C(=O)[O-])CCC1	REAL300010839947	0	43	-1.0	-50.45	349.69	4.88	-45.57
CC(C)(CCNS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010839948	0	45	-1.0	-60.81	375.22	0.45	-60.36
CC(C)(CCNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010839949	0	35	-1.0	-50.54	334.78	2.96	-47.58
COC(=O)C1=CC=C(CS(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839950	0	43	-1.0	-56.56	368.19	5.25	-51.31
CC(C)(CC[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010839951	0	36	-2.0	-109.38	335.54	4.63	-104.75
CC(C)(CCNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010839951	1	37	-1.0	-50.29	336.79	4.93	-45.36
CN1N=CC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010839952	0	37	-1.0	-49.82	323.95	2.62	-47.20
CN1N=CC(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010839952	1	36	-2.0	-102.51	321.12	2.12	-100.39
CN1N=C2CCCCC2=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839953	0	44	-1.0	-49.52	348.59	3.88	-45.64
CC(C)(CCNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010839954	0	31	-1.0	-48.85	284.68	2.88	-45.97
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300010839955	0	46	-1.0	-51.83	360.47	4.15	-47.68
CC(C)(CCNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010839956	0	44	-1.0	-51.28	357.02	4.21	-47.07
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839957	0	37	-1.0	-48.02	315.85	2.44	-45.58
CN1C=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(Br)=N1	REAL300010839958	0	34	-1.0	-51.99	304.54	1.64	-50.35
CC(C)(CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010839959	0	36	-1.0	-49.95	321.61	3.12	-46.83
COC1=CC=C(F)C=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839960	0	41	-1.0	-54.31	347.95	4.02	-50.29
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010839961	0	48	-1.0	-54.66	395.53	5.06	-49.60
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010839962	0	34	-2.0	-90.06	294.50	2.54	-87.52
CC(C)(CCNS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010839962	1	35	-1.0	-50.16	305.46	1.64	-48.52
C=CCCC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300010839963	0	44	-1.0	-50.07	366.82	6.65	-43.42
COC(=O)C1=CNN=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839964	0	37	-1.0	-57.19	319.02	1.44	-55.75
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-]	REAL300010839964	1	36	-2.0	-121.63	320.23	1.07	-120.56
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839965	0	37	-1.0	-47.72	340.53	5.85	-41.87
CCC1=NN(C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839966	0	40	-1.0	-52.07	333.89	2.97	-49.10
CC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1F	REAL300010839967	0	39	-1.0	-56.61	335.22	4.35	-52.26
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839968	0	43	-1.0	-63.63	353.80	1.89	-61.74
CCCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010839969	0	56	-1.0	-49.79	443.16	7.71	-42.08
CC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C(C#N)=C1	REAL300010839970	0	38	-1.0	-53.39	314.18	4.29	-49.10
CC1=CC=CC(C#N)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839971	0	38	-1.0	-54.93	321.36	5.07	-49.86
CC(C)(CCNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010839972	0	37	-1.0	-50.24	326.88	4.78	-45.46
CC(C)(CCNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010839973	0	45	-1.0	-53.34	366.89	4.02	-49.32
CC(C)(CCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010839974	0	38	-1.0	-50.85	338.84	5.58	-45.27
CCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010839975	0	56	-1.0	-49.58	434.22	7.59	-41.99
CCCOC1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1CC	REAL300010839976	0	50	-1.0	-49.94	404.17	6.37	-43.57
CC(C)(CCNS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010839977	0	41	-1.0	-55.80	353.37	5.83	-49.97
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839978	0	40	-1.0	-47.46	333.04	5.87	-41.59
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839979	0	48	-1.0	-60.57	382.76	3.57	-57.00
CC(C)(CCNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010839980	0	37	-1.0	-53.27	344.91	5.59	-47.68
CC(C)(CCNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010839981	0	37	-1.0	-53.98	336.37	5.20	-48.78
CC(C)(CCNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010839982	0	44	-1.0	-58.40	372.32	5.80	-52.60
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839983	0	40	-1.0	-52.52	350.47	5.77	-46.75
CC1=CN=C(Cl)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839984	0	36	-1.0	-50.24	308.57	2.69	-47.55
COC1=CC=C(Br)C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1F	REAL300010839985	0	38	-1.0	-52.85	339.16	4.10	-48.75
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])=C1F	REAL300010839985	1	37	-2.0	-113.26	336.34	3.72	-109.54
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839986	0	44	-1.0	-54.10	364.19	6.17	-47.93
CC(C)(CCNS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010839987	0	46	-1.0	-51.91	354.48	5.31	-46.60
CCOC(=O)C1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010839988	0	43	-1.0	-50.77	358.89	3.76	-47.01
CC(C)(CCNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010839989	0	38	-1.0	-52.00	335.76	5.48	-46.52
CC(C)(CCNS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010839990	0	39	-1.0	-56.03	329.67	4.05	-51.98
CC(C)(CCNS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010839991	0	43	-1.0	-54.10	356.95	6.16	-47.94
CC(C)(CCNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010839992	0	39	-1.0	-53.72	322.47	0.81	-52.91
CC1=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C(C(N)=O)O1	REAL300010839993	0	38	-1.0	-53.68	330.08	-0.57	-54.25
CCCC1=CC=CC=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839994	0	43	-1.0	-49.40	343.06	6.45	-42.95
COC(=O)C1=CC=C(S(=O)(=O)NCCC(C)(C)C(=O)[O-])C=C1C(=O)OC	REAL300010839995	0	46	-1.0	-56.76	395.30	5.52	-51.24
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCCC(C)(C)C(=O)[O-]	REAL300010839996	0	47	-1.0	-51.75	390.82	4.63	-47.12
CC(C)(CCNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010839997	0	43	-1.0	-55.62	352.32	4.59	-51.03
CC(C)(CCNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010839998	0	34	-1.0	-50.00	304.57	4.06	-45.94
COC(=O)C1=CC=NC(S(=O)(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300010839999	0	39	-1.0	-54.53	340.62	2.64	-51.89
CC(C)(CCNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010840000	0	40	-1.0	-53.69	341.29	5.44	-48.25
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010842156	0	35	-1.0	-51.75	301.53	2.99	-48.76
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010842157	0	35	-1.0	-55.89	319.64	3.56	-52.33
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010842158	0	43	-1.0	-54.63	351.42	4.38	-50.25
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010842159	0	36	-1.0	-52.40	324.37	5.06	-47.34
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010842160	0	35	-1.0	-58.25	311.62	1.90	-56.35
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010842161	0	36	-1.0	-49.59	311.77	5.00	-44.59
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010842162	0	33	-1.0	-46.49	313.91	3.51	-42.98
CC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010842163	0	28	-1.0	-50.47	283.31	4.10	-46.37
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842164	0	25	-1.0	-52.88	261.10	1.78	-51.10
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842164	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010842165	0	32	-1.0	-52.16	306.05	2.93	-49.23
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1C	REAL300010842166	0	38	-1.0	-61.15	339.09	4.06	-57.09
CC[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010842167	0	41	-1.0	-65.04	366.72	4.09	-60.95
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C12	REAL300010842168	0	35	-1.0	-48.43	316.75	0.70	-47.73
CC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010842169	0	40	-1.0	-55.14	339.58	4.44	-50.70
CC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010842170	0	35	-1.0	-53.68	319.86	4.36	-49.32
CC[C@@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010842171	0	32	-1.0	-54.33	310.69	4.45	-49.88
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010842172	0	30	-1.0	-49.15	294.17	3.37	-45.78
CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010842173	0	38	-1.0	-65.67	337.78	-0.42	-66.09
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010842174	0	31	-1.0	-47.19	296.19	0.98	-46.21
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010842175	0	37	-1.0	-58.96	331.41	3.96	-55.00
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010842176	0	43	-1.0	-56.95	369.00	3.45	-53.50
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010842177	0	46	0.0	-84.81	369.55	4.14	-80.67
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010842178	0	31	-1.0	-51.35	288.61	4.44	-46.91
CC[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010842179	0	32	-1.0	-59.34	293.79	3.07	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010842180	0	34	-1.0	-52.91	329.90	4.33	-48.58
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010842180	1	33	-2.0	-128.67	325.64	4.78	-123.89
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842181	0	28	-1.0	-48.06	302.74	4.60	-43.46
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842181	1	27	-2.0	-121.94	297.99	4.99	-116.95
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010842182	0	28	-1.0	-49.84	282.47	3.72	-46.12
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010842183	0	36	-1.0	-62.62	307.76	3.55	-59.07
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1C	REAL300010842184	0	55	-1.0	-54.28	440.58	7.51	-46.77
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010842185	0	37	-1.0	-55.03	317.14	4.44	-50.59
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010842186	0	42	-1.0	-45.91	378.32	4.17	-41.74
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010842187	0	29	-1.0	-54.79	287.52	3.92	-50.87
CC[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010842188	0	31	-1.0	-58.40	300.26	2.06	-56.34
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010842189	0	43	-1.0	-64.89	347.53	3.76	-61.13
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010842190	0	34	-1.0	-52.56	322.41	5.89	-46.67
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010842191	0	30	-2.0	-123.18	316.92	3.72	-119.46
CC[C@@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010842191	1	31	-1.0	-51.49	311.65	2.75	-48.74
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010842192	0	36	-1.0	-55.34	322.70	1.21	-54.13
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842194	0	31	-1.0	-49.17	311.08	4.55	-44.62
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842195	0	34	-1.0	-46.95	318.72	3.84	-43.11
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842196	0	38	-1.0	-49.95	346.45	2.30	-47.65
CC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842197	0	39	-1.0	-57.69	354.22	4.84	-52.85
CC[C@@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010842198	0	38	-1.0	-56.72	330.13	3.78	-52.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010842199	0	46	-1.0	-58.59	397.32	5.69	-52.90
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010842200	0	43	-1.0	-44.94	379.28	4.46	-40.48
CC[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010842201	0	39	-1.0	-57.28	336.28	4.35	-52.93
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010842202	0	36	-1.0	-51.54	311.11	4.22	-47.32
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010842203	0	36	-1.0	-43.70	332.19	2.84	-40.86
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010842204	0	31	-1.0	-40.71	298.42	4.09	-36.62
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010842205	0	31	-1.0	-50.71	297.99	4.29	-46.42
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010842206	0	35	-1.0	-54.91	329.28	2.66	-52.25
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010842207	0	39	-1.0	-66.16	327.75	2.96	-63.20
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010842208	0	40	-1.0	-56.08	342.35	3.11	-52.97
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010842209	0	34	-1.0	-52.85	335.96	1.12	-51.73
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010842210	0	28	-1.0	-40.15	304.03	4.66	-35.49
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010842210	1	27	-2.0	-121.92	296.46	4.93	-116.99
CC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010842211	0	36	-1.0	-51.25	325.04	4.26	-46.99
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842212	0	38	-1.0	-49.95	346.45	2.30	-47.65
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010842213	0	38	-1.0	-54.32	338.31	3.57	-50.75
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010842214	0	34	-1.0	-57.63	311.37	4.29	-53.34
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010842215	0	39	-1.0	-61.11	345.74	3.19	-57.92
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010842216	0	42	-1.0	-46.65	370.54	4.32	-42.33
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010842217	0	42	-1.0	-44.76	371.38	6.42	-38.34
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842218	0	36	-1.0	-61.33	324.13	5.06	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010842219	0	28	-1.0	-38.78	295.78	4.17	-34.61
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010842219	1	27	-2.0	-123.04	288.42	4.54	-118.50
CC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010842220	0	40	0.0	-84.45	333.86	4.90	-79.55
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2O1	REAL300010842221	0	43	-1.0	-53.00	379.18	5.67	-47.33
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842222	0	40	-1.0	-62.36	344.23	5.39	-56.97
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010842223	0	28	-1.0	-40.77	291.49	4.18	-36.59
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010842223	1	27	-2.0	-121.21	283.92	4.46	-116.75
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842224	0	36	-1.0	-58.35	311.14	6.05	-52.30
CC[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010842225	0	34	-1.0	-55.34	316.28	4.80	-50.54
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010842226	0	38	-1.0	-48.06	337.89	5.77	-42.29
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010842227	0	31	-1.0	-51.73	293.81	4.30	-47.43
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010842228	0	36	-1.0	-60.25	312.04	5.01	-55.24
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010842229	0	28	-1.0	-51.38	284.19	4.12	-47.26
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010842230	0	38	-1.0	-48.06	337.89	5.77	-42.29
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010842231	0	28	-1.0	-50.92	291.65	4.06	-46.86
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010842232	0	39	-1.0	-51.73	352.08	2.79	-48.94
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010842233	0	27	-2.0	-127.52	267.90	3.80	-123.72
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010842234	0	38	-1.0	-58.55	317.13	4.81	-53.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010842235	0	34	-1.0	-55.30	314.58	3.70	-51.60
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010842236	0	32	-1.0	-57.25	300.49	3.39	-53.86
CC[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842237	0	29	-1.0	-55.33	283.68	1.81	-53.52
CC[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010842238	0	41	-1.0	-57.27	344.12	6.26	-51.01
CC[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010842239	0	39	-1.0	-56.61	337.25	3.71	-52.90
CC[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010842240	0	45	-1.0	-56.48	352.05	9.50	-46.98
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010842241	0	42	-1.0	-54.90	348.27	5.13	-49.77
CC[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842242	0	33	-1.0	-51.37	305.29	1.86	-49.51
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010842243	0	29	-1.0	-52.08	295.98	3.87	-48.21
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842244	0	30	-1.0	-49.99	307.30	4.57	-45.42
CC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842244	1	29	-2.0	-120.97	302.54	4.95	-116.02
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010842245	0	35	-1.0	-55.48	312.06	3.52	-51.96
CC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010842246	0	34	-1.0	-50.66	321.42	3.25	-47.41
CC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010842247	0	36	-1.0	-44.33	328.11	2.85	-41.48
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010842248	0	32	-1.0	-53.74	300.97	2.63	-51.11
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010842249	0	31	-1.0	-47.38	299.61	4.07	-43.31
CC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010842250	0	39	-1.0	-56.04	346.87	0.09	-55.95
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C2S1	REAL300010842251	0	40	-1.0	-52.52	370.17	6.03	-46.49
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010842252	0	34	-1.0	-64.36	297.02	2.07	-62.29
CC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010842253	0	33	-1.0	-60.12	312.36	-1.42	-61.54
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010842254	0	34	-1.0	-51.56	316.18	3.74	-47.82
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842255	0	36	-1.0	-64.06	329.75	4.81	-59.25
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010842256	0	32	-1.0	-52.22	299.09	2.96	-49.26
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010842257	0	34	-1.0	-55.85	293.90	2.48	-53.37
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010842258	0	34	-1.0	-51.83	323.38	4.16	-47.67
CC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010842259	0	34	-1.0	-51.51	292.59	4.11	-47.40
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842260	0	28	-1.0	-49.40	283.49	4.05	-45.35
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010842261	0	28	-1.0	-51.93	286.10	4.18	-47.75
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010842262	0	38	-1.0	-46.91	335.24	0.11	-46.80
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010842263	0	30	-1.0	-37.53	300.38	4.14	-33.39
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010842263	1	29	-2.0	-115.44	292.96	4.51	-110.93
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010842264	0	28	-1.0	-49.56	281.81	4.29	-45.27
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010842264	1	27	-2.0	-119.62	276.84	4.74	-114.88
CC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010842265	0	29	-1.0	-55.79	280.35	1.40	-54.39
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010842266	0	31	-1.0	-52.68	308.37	4.66	-48.02
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010842267	0	28	-1.0	-52.28	282.00	3.69	-48.59
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010842268	0	38	-1.0	-54.24	337.53	3.70	-50.54
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842269	0	28	-1.0	-49.18	286.10	4.17	-45.01
CC[C@@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010842270	0	31	-1.0	-57.54	301.31	0.51	-57.03
CC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010842270	1	30	-2.0	-96.74	297.75	-0.59	-97.33
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010842271	0	31	-1.0	-57.59	300.18	4.32	-53.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010842272	0	32	-1.0	-60.75	306.74	0.28	-60.47
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842273	0	37	-1.0	-61.13	318.13	5.32	-55.81
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010842274	0	32	-1.0	-55.87	311.31	0.38	-55.49
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010842275	0	39	-1.0	-58.76	332.74	4.33	-54.43
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010842276	0	32	-1.0	-48.50	311.89	4.18	-44.32
CC[C@@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010842277	0	35	-1.0	-57.52	325.30	3.57	-53.95
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010842278	0	31	-1.0	-53.13	314.52	4.46	-48.67
CC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010842279	0	29	-1.0	-54.16	291.53	3.68	-50.48
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010842280	0	34	-1.0	-50.91	306.39	4.84	-46.07
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300010842281	0	45	-1.0	-55.29	392.05	2.73	-52.56
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010842282	0	34	-1.0	-62.14	314.70	4.52	-57.62
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010842283	0	38	-1.0	-67.06	344.28	0.42	-66.64
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010842284	0	27	-2.0	-128.39	269.18	4.22	-124.17
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010842284	1	28	-1.0	-58.34	276.38	3.80	-54.54
CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010842285	0	45	-1.0	-60.17	368.64	4.94	-55.23
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842286	0	37	-1.0	-55.77	340.44	4.45	-51.32
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010842287	0	38	-1.0	-51.01	348.91	4.66	-46.35
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842288	0	37	-1.0	-54.18	331.16	5.75	-48.43
CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010842289	0	37	-1.0	-54.28	327.09	5.44	-48.84
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010842290	0	38	-1.0	-63.64	335.60	1.97	-61.67
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC)C(=O)[O-]	REAL300010842291	0	42	-1.0	-55.29	372.33	3.91	-51.38
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010842292	0	37	-1.0	-40.78	348.80	5.07	-35.71
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010842292	1	36	-2.0	-123.99	341.44	5.44	-118.55
CC[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010842293	0	37	-1.0	-66.13	316.22	0.16	-65.97
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010842294	0	39	-1.0	-55.19	350.59	2.84	-52.35
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(F)C=C1C	REAL300010842295	0	40	-1.0	-53.32	353.68	5.17	-48.15
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010842296	0	42	-1.0	-59.18	366.80	1.21	-57.97
CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010842297	0	39	-1.0	-59.52	338.66	2.62	-56.90
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842298	0	41	-1.0	-64.01	360.29	4.47	-59.54
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1C	REAL300010842299	0	40	-1.0	-51.76	348.20	5.11	-46.65
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842300	0	40	-1.0	-59.67	354.32	5.36	-54.31
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842301	0	34	-1.0	-55.18	325.84	5.65	-49.53
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842301	1	33	-2.0	-132.96	320.24	6.08	-126.88
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842302	0	31	-1.0	-54.66	289.18	4.30	-50.36
CC[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010842303	0	44	-1.0	-56.12	355.94	4.36	-51.76
CC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010842304	0	34	-1.0	-54.83	317.11	5.01	-49.82
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842305	0	37	-1.0	-59.18	338.05	4.65	-54.53
CC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010842306	0	38	-1.0	-54.48	329.48	6.43	-48.05
CC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010842307	0	31	-1.0	-55.82	295.84	4.26	-51.56
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1C	REAL300010842308	0	40	-1.0	-52.90	358.29	4.22	-48.68
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010842309	0	34	-1.0	-61.14	325.77	0.94	-60.20
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010842310	0	32	-1.0	-57.95	301.58	3.92	-54.03
CC[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010842311	0	31	-1.0	-56.32	294.11	2.35	-53.97
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010842311	1	30	-2.0	-142.73	290.52	2.75	-139.98
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010842312	0	41	-1.0	-59.28	349.48	3.85	-55.43
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010842313	0	31	-2.0	-105.77	299.29	2.68	-103.09
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010842313	1	32	-1.0	-56.61	300.55	2.07	-54.54
CC[C@@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010842314	0	45	-1.0	-61.71	400.27	3.39	-58.32
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010842315	0	29	-1.0	-38.35	302.28	4.03	-34.32
CC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010842315	1	28	-2.0	-121.17	294.70	4.30	-116.87
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010842316	0	39	-1.0	-51.14	351.52	2.43	-48.71
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010842317	0	43	-1.0	-51.94	368.45	5.81	-46.13
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010842318	0	40	-1.0	-57.45	358.91	2.23	-55.22
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300010842319	0	39	-1.0	-49.86	376.49	3.71	-46.15
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010842320	0	33	-1.0	-56.89	301.88	0.19	-56.70
CC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010842321	0	27	-1.0	-46.81	286.89	2.18	-44.63
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010842322	0	35	-1.0	-51.88	327.09	3.24	-48.64
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1CC(=O)OC)C(=O)[O-]	REAL300010842323	0	37	-1.0	-56.49	340.74	5.43	-51.06
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010842324	0	34	-1.0	-49.71	309.72	4.52	-45.19
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010842325	0	39	-1.0	-51.35	360.69	6.38	-44.97
CC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010842326	0	37	-1.0	-59.71	332.24	4.45	-55.26
CC[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010842327	0	30	-1.0	-58.54	286.76	2.56	-55.98
CC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010842328	0	34	-1.0	-57.25	316.59	4.94	-52.31
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010842329	0	28	-1.0	-51.18	288.80	3.21	-47.97
CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010842330	0	32	-1.0	-62.96	303.65	4.02	-58.94
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300010842331	0	31	-1.0	-51.26	300.85	4.63	-46.63
CC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842332	0	41	-1.0	-54.95	365.13	3.38	-51.57
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842333	0	44	-1.0	-54.78	387.24	4.28	-50.50
CC[C@@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010842334	0	36	-1.0	-49.76	321.57	2.36	-47.40
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010842335	0	32	-1.0	-50.84	307.21	2.89	-47.95
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842336	0	37	-1.0	-51.12	348.90	5.07	-46.05
CC[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010842337	0	44	-1.0	-63.82	388.46	4.84	-58.98
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010842338	0	30	-1.0	-47.03	302.31	2.76	-44.27
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010842339	0	37	-1.0	-56.42	320.09	4.61	-51.81
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010842340	0	29	-1.0	-58.53	282.03	2.44	-56.09
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010842341	0	34	-1.0	-59.41	313.05	4.64	-54.77
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010842342	0	31	-1.0	-52.21	289.82	1.82	-50.39
CC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010842342	1	30	-2.0	-125.87	285.46	2.26	-123.61
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842343	0	30	-1.0	-49.57	292.33	5.07	-44.50
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842343	1	29	-2.0	-122.83	289.14	5.54	-117.29
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010842344	0	37	-1.0	-44.00	332.39	4.33	-39.67
CC[C@@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010842345	0	36	-1.0	-54.17	331.94	4.38	-49.79
CC[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010842346	0	38	-1.0	-55.07	334.65	3.76	-51.31
CC[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010842347	0	55	-1.0	-53.46	413.16	8.74	-44.72
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010842348	0	33	-1.0	-56.93	309.99	4.20	-52.73
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010842349	0	40	-1.0	-59.01	355.55	5.30	-53.71
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010842350	0	33	-1.0	-58.27	291.92	2.58	-55.69
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842351	0	35	-1.0	-52.25	324.08	3.31	-48.94
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010842352	0	40	-1.0	-53.97	340.33	4.76	-49.21
CC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010842353	0	31	-1.0	-52.93	292.66	3.51	-49.42
CC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010842353	1	30	-2.0	-126.80	284.94	3.81	-122.99
CC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842354	0	31	-1.0	-54.94	297.02	4.58	-50.36
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842354	1	30	-2.0	-134.24	300.06	5.37	-128.87
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010842355	0	42	-1.0	-51.30	375.82	1.48	-49.82
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010842355	1	41	-2.0	-99.06	374.68	1.56	-97.50
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010842356	0	31	-1.0	-57.17	305.89	4.38	-52.79
CC[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010842357	0	37	-1.0	-69.95	339.58	1.22	-68.73
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010842358	0	37	-1.0	-54.95	322.75	5.92	-49.03
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010842359	0	37	-1.0	-55.19	336.02	4.90	-50.29
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010842360	0	43	-1.0	-58.82	376.85	3.57	-55.25
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010842361	0	41	-1.0	-57.26	351.98	3.35	-53.91
CC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010842362	0	31	-1.0	-58.57	297.77	4.18	-54.39
CC[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010842363	0	34	-1.0	-48.76	304.68	5.33	-43.43
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(CC)=C1	REAL300010842364	0	46	-1.0	-52.36	350.08	7.48	-44.88
CC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300010842365	0	47	-1.0	-51.15	396.81	3.77	-47.38
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010842366	0	35	-1.0	-55.69	311.28	2.77	-52.92
CC[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010842367	0	30	-1.0	-55.93	303.60	2.90	-53.03
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010842368	0	36	-1.0	-57.74	329.32	2.77	-54.97
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010842369	0	36	-1.0	-52.32	326.77	1.54	-50.78
CC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010842370	0	33	-1.0	-61.74	309.75	-2.06	-63.80
CC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010842371	0	39	-1.0	-62.99	328.37	0.12	-62.87
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010842372	0	32	-1.0	-50.60	300.76	2.87	-47.73
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010842373	0	31	-1.0	-41.26	291.40	0.61	-40.65
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010842374	0	41	-1.0	-58.88	348.81	4.06	-54.82
CC[C@@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010842375	0	37	-1.0	-55.94	327.16	6.06	-49.88
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010842376	0	32	-1.0	-43.01	298.51	3.22	-39.79
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010842377	0	32	-1.0	-43.88	311.04	3.64	-40.24
CC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010842378	0	37	-1.0	-55.87	337.67	4.50	-51.37
CC[C@@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010842379	0	41	-1.0	-57.81	344.43	4.40	-53.41
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010842380	0	31	-1.0	-56.14	313.91	4.77	-51.37
CC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010842381	0	31	-1.0	-54.94	312.56	4.78	-50.16
CC[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010842382	0	31	-1.0	-51.59	294.87	2.11	-49.48
CCC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010842383	0	36	-1.0	-59.11	317.81	4.85	-54.26
CC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010842384	0	44	-1.0	-59.18	360.01	5.21	-53.97
CC[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010842385	0	35	-1.0	-55.81	330.65	5.38	-50.43
CC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010842386	0	31	-1.0	-48.30	298.55	0.22	-48.08
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(F)=C1	REAL300010842387	0	37	-1.0	-51.05	338.04	4.67	-46.38
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842388	0	37	-1.0	-51.30	349.12	4.67	-46.63
CC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010842389	0	37	-1.0	-54.39	341.48	4.48	-49.91
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842390	0	34	-1.0	-46.84	331.41	4.25	-42.59
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842390	1	33	-2.0	-130.26	321.97	4.58	-125.68
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010842391	0	37	-1.0	-58.81	336.37	4.35	-54.46
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010842392	0	34	-1.0	-55.50	312.77	4.81	-50.69
CC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010842393	0	43	-1.0	-48.27	369.93	0.82	-47.45
CC[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010842394	0	35	-1.0	-61.54	320.63	0.86	-60.68
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010842395	0	28	-1.0	-51.03	275.90	3.08	-47.95
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010842396	0	37	-1.0	-49.84	315.62	3.41	-46.43
CC[C@@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010842397	0	38	-1.0	-52.70	326.43	1.92	-50.78
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010842398	0	32	-1.0	-40.67	309.40	3.55	-37.12
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010842399	0	43	-1.0	-68.43	359.65	1.98	-66.45
CC[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010842400	0	39	-1.0	-59.11	346.60	3.49	-55.62
CC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010842401	0	35	-1.0	-55.60	330.73	5.62	-49.98
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010842402	0	31	-1.0	-54.74	302.00	4.35	-50.39
CC[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010842403	0	32	-1.0	-42.51	310.47	0.51	-42.00
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010842403	1	31	-2.0	-120.53	303.05	0.87	-119.66
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010842404	0	31	-1.0	-55.47	298.76	4.24	-51.23
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010842405	0	28	-1.0	-49.04	293.56	4.11	-44.93
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010842406	0	35	-1.0	-59.68	311.45	0.43	-59.25
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1	REAL300010842407	0	53	-1.0	-52.13	435.62	7.94	-44.19
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010842408	0	43	-1.0	-55.53	365.37	5.33	-50.20
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842409	0	28	-1.0	-48.06	301.46	4.61	-43.45
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842409	1	27	-2.0	-120.91	297.15	5.04	-115.87
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842410	0	38	-1.0	-44.23	349.21	5.20	-39.03
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010842411	0	28	-1.0	-51.22	282.53	3.65	-47.57
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010842412	0	34	-1.0	-55.30	314.58	3.70	-51.60
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010842413	0	42	-1.0	-57.11	363.67	6.06	-51.05
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010842414	0	42	-1.0	-56.17	372.73	6.36	-49.81
CC[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010842415	0	40	-1.0	-59.00	344.55	2.77	-56.23
CC[C@@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010842416	0	38	-1.0	-55.45	337.18	4.09	-51.36
CC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010842417	0	40	-1.0	-54.86	339.43	4.42	-50.44
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010842418	0	34	-1.0	-57.73	301.55	1.98	-55.75
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010842419	0	36	-1.0	-52.56	337.15	1.91	-50.65
CC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010842420	0	40	-1.0	-55.57	344.86	5.80	-49.77
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010842421	0	39	-1.0	-58.66	340.20	2.09	-56.57
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842422	0	34	-1.0	-46.61	321.09	3.81	-42.80
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010842422	1	33	-2.0	-129.84	311.65	4.14	-125.70
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010842423	0	39	-1.0	-54.91	345.40	4.60	-50.31
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842424	0	41	-1.0	-52.50	345.29	4.68	-47.82
CC[C@@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010842425	0	44	-1.0	-53.43	345.76	3.79	-49.64
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010842426	0	47	-1.0	-53.82	386.94	6.05	-47.77
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010842427	0	31	-1.0	-64.57	306.19	2.85	-61.72
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010842428	0	36	-1.0	-50.40	315.43	5.23	-45.17
CC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010842429	0	41	-1.0	-50.55	358.59	5.31	-45.24
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010842430	0	34	-1.0	-53.51	313.92	2.44	-51.07
CC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010842430	1	33	-2.0	-122.68	304.27	2.78	-119.90
CCC1=NC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CN1CC1CC1	REAL300010842431	0	41	-1.0	-63.08	355.43	4.99	-58.09
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842432	0	34	-1.0	-58.70	317.23	5.01	-53.69
CC[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010842433	0	39	-1.0	-62.94	340.25	3.58	-59.36
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010842434	0	31	-1.0	-47.47	296.81	1.69	-45.78
CC[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010842435	0	39	-1.0	-56.58	356.13	7.09	-49.49
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010842436	0	31	-1.0	-51.88	293.80	4.29	-47.59
CC[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010842437	0	38	-1.0	-58.27	320.29	6.34	-51.93
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300010842438	0	48	-1.0	-53.59	410.85	7.89	-45.70
CC[C@@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010842439	0	34	-1.0	-57.42	317.24	4.93	-52.49
CC[C@@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010842440	0	35	-1.0	-58.85	323.75	3.66	-55.19
CC[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010842441	0	34	-1.0	-58.34	311.25	4.54	-53.80
CC[C@@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010842442	0	37	-1.0	-50.76	319.78	2.07	-48.69
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010842443	0	34	-1.0	-60.68	316.35	1.51	-59.17
CC[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010842444	0	35	-1.0	-59.50	330.81	2.31	-57.19
CCC1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C(C)C=C1OC	REAL300010842445	0	41	-1.0	-55.46	337.97	4.42	-51.04
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010842446	0	34	-1.0	-49.81	326.49	4.89	-44.92
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010842447	0	36	-1.0	-61.09	324.02	4.07	-57.02
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010842448	0	31	-1.0	-51.75	302.94	4.70	-47.05
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010842449	0	37	-1.0	-55.49	307.24	6.16	-49.33
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010842450	0	35	-1.0	-51.80	324.75	3.07	-48.73
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010842451	0	37	-1.0	-54.30	326.94	2.72	-51.58
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010842452	0	37	-1.0	-60.48	334.07	4.88	-55.60
CC[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010842453	0	28	-1.0	-51.20	267.10	0.50	-50.70
CC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010842453	1	27	-2.0	-123.22	264.40	0.88	-122.34
CC[C@@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010842454	0	33	-1.0	-47.43	307.63	4.36	-43.07
CC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010842455	0	34	-1.0	-55.64	304.75	4.02	-51.62
CC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010842456	0	45	0.0	-80.72	357.17	2.19	-78.53
CC[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010842456	1	44	-1.0	-56.77	354.01	-0.16	-56.93
CC[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010842457	0	28	-1.0	-52.17	277.46	1.10	-51.07
CC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842458	0	37	-1.0	-53.37	343.18	5.03	-48.34
CC[C@@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010842459	0	28	-1.0	-51.91	282.22	1.52	-50.39
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010842460	0	32	-1.0	-60.45	290.58	4.07	-56.38
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010842461	0	37	-1.0	-51.39	324.48	1.54	-49.85
CCCCN1C=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C(C)=N1	REAL300010842462	0	40	-1.0	-52.81	343.59	3.62	-49.19
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010842463	0	38	-1.0	-44.87	343.76	3.57	-41.30
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842464	0	38	-1.0	-62.24	325.04	3.71	-58.53
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010842465	0	44	-1.0	-54.03	365.20	5.26	-48.77
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010842466	0	40	-1.0	-50.38	333.75	5.25	-45.13
CC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010842467	0	31	-1.0	-56.16	298.77	4.24	-51.92
CC[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010842468	0	47	-1.0	-57.01	380.98	7.50	-49.51
CC[C@@H](NS(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C)C(=O)[O-]	REAL300010842469	0	33	-1.0	-58.13	319.34	3.17	-54.96
CC[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010842470	0	25	-1.0	-59.19	255.84	1.04	-58.15
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010842470	1	24	-2.0	-131.15	246.17	1.39	-129.76
CC[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010842471	0	36	-1.0	-60.12	323.74	3.85	-56.27
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010842472	0	27	-1.0	-40.63	281.33	2.28	-38.35
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010842472	1	26	-2.0	-120.66	271.86	2.62	-118.04
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010842473	0	31	-1.0	-51.66	302.56	0.88	-50.78
CC[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010842474	0	33	-1.0	-53.27	310.72	3.86	-49.41
CC[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010842475	0	30	-1.0	-50.47	295.04	2.89	-47.58
CC[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010842476	0	38	-1.0	-45.84	344.61	3.84	-42.00
CC[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010842477	0	31	-1.0	-53.71	296.86	3.83	-49.88
CC[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010842478	0	27	-1.0	-57.51	283.37	1.36	-56.15
CC[C@@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010842479	0	30	-1.0	-52.95	309.07	3.08	-49.87
CC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010842480	0	30	-1.0	-54.20	287.13	4.29	-49.91
CC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010842481	0	39	-1.0	-62.09	340.05	-0.40	-62.49
CC[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010842482	0	29	-1.0	-48.64	301.02	2.14	-46.50
CC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010842483	0	37	-1.0	-59.57	333.93	4.36	-55.21
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010842484	0	30	-2.0	-134.34	299.91	4.34	-130.00
CC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010842484	1	31	-1.0	-53.96	302.01	4.08	-49.88
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010842485	0	31	-1.0	-51.09	284.50	1.69	-49.40
CC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010842485	1	30	-2.0	-123.82	279.97	2.05	-121.77
CC[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010842486	0	38	-1.0	-50.43	312.61	3.02	-47.41
CC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010842487	0	25	-1.0	-51.55	262.56	2.50	-49.05
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010842488	0	40	-1.0	-56.30	317.25	2.91	-53.39
CC[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010842489	0	38	-1.0	-54.06	323.73	3.35	-50.71
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010842490	0	31	-1.0	-45.29	285.84	1.81	-43.48
CC[C@@H](NS(=O)(=O)C1=CC(C=CC(=O)OC)=CC(OC)=C1OC)C(=O)[O-]	REAL300010842491	0	46	-1.0	-57.64	398.11	4.83	-52.81
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010842492	0	28	-1.0	-51.89	279.17	1.16	-50.73
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010842493	0	30	-1.0	-52.75	286.23	2.52	-50.23
CC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010842494	0	35	-1.0	-58.14	313.46	3.15	-54.99
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010842495	0	42	-1.0	-53.85	361.39	4.20	-49.65
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010842496	0	31	-1.0	-51.53	302.93	4.71	-46.82
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010842497	0	33	-1.0	-60.40	301.04	3.50	-56.90
CC[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010842498	0	37	-1.0	-74.43	320.61	1.08	-73.35
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010842499	0	50	-1.0	-53.53	408.19	6.84	-46.69
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010842500	0	31	-1.0	-52.91	292.15	3.88	-49.03
CC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010842501	0	39	-1.0	-44.43	341.73	3.67	-40.76
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010842502	0	32	-1.0	-52.76	305.12	4.76	-48.00
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)(C)C	REAL300010842503	0	50	-1.0	-53.88	399.27	6.72	-47.16
CCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1CC	REAL300010842504	0	44	-1.0	-53.33	369.78	5.52	-47.81
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010842505	0	34	-1.0	-47.74	294.73	4.95	-42.79
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCOC)C(Br)=C1)C(=O)[O-]	REAL300010842506	0	39	-1.0	-56.75	360.88	3.15	-53.60
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010842507	0	42	-1.0	-69.71	356.33	2.70	-67.01
CC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010842508	0	31	-1.0	-54.80	310.43	4.72	-50.08
CC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010842509	0	31	-1.0	-55.45	301.54	4.30	-51.15
CC[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010842510	0	38	-1.0	-62.38	337.24	4.91	-57.47
CC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010842511	0	34	-1.0	-54.95	314.52	4.98	-49.97
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010842512	0	32	-1.0	-61.16	302.66	3.20	-57.96
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010842512	1	31	-2.0	-133.68	295.79	3.57	-130.11
CC[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010842513	0	38	-1.0	-56.32	329.94	5.30	-51.02
CCOC(=O)C1=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])N(C)N=C1	REAL300010842514	0	37	-1.0	-57.98	323.41	2.90	-55.08
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010842515	0	32	-1.0	-54.38	302.87	4.64	-49.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010842516	0	40	-1.0	-58.29	361.22	4.63	-53.66
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010842517	0	41	-1.0	-57.31	352.84	3.68	-53.63
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010842518	0	33	-1.0	-58.50	307.68	1.83	-56.67
CC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010842519	0	44	-1.0	-55.84	371.37	5.83	-50.01
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010842520	0	48	-1.0	-60.46	382.22	5.48	-54.98
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010842521	0	35	-1.0	-52.12	313.05	3.17	-48.95
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010842522	0	42	-1.0	-54.51	351.09	3.06	-51.45
CC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010842523	0	43	-1.0	-65.06	365.92	5.66	-59.40
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C21	REAL300010842524	0	42	-1.0	-75.05	356.31	4.92	-70.13
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300010842525	0	43	-1.0	-52.15	384.39	6.85	-45.30
CC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010842526	0	38	-1.0	-49.73	316.54	3.76	-45.97
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010842527	0	40	-1.0	-52.99	344.20	5.82	-47.17
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842528	0	41	-1.0	-47.96	358.80	4.46	-43.50
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010842529	0	38	-1.0	-58.48	325.61	3.70	-54.78
CC[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010842530	0	39	-1.0	-58.04	324.88	1.14	-56.90
CC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010842531	0	34	-1.0	-52.86	322.96	3.95	-48.91
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010842532	0	34	-1.0	-53.37	306.21	0.23	-53.14
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010842533	0	24	-2.0	-128.07	250.92	2.00	-126.07
CC[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010842533	1	25	-1.0	-53.43	257.39	1.77	-51.66
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010842534	0	32	-1.0	-48.56	301.16	2.56	-46.00
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010842535	0	32	-1.0	-42.30	295.38	2.48	-39.82
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010842536	0	53	-1.0	-53.53	429.69	7.62	-45.91
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010842537	0	44	-1.0	-57.78	347.88	4.51	-53.27
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010842538	0	38	-1.0	-43.61	328.13	4.46	-39.15
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(C)C	REAL300010842539	0	51	-1.0	-56.15	420.92	5.47	-50.68
CC[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010842540	0	36	-1.0	-51.25	324.82	2.70	-48.55
CC[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010842541	0	36	-1.0	-55.80	323.54	5.22	-50.58
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010842542	0	32	-1.0	-55.28	290.26	3.63	-51.65
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010842542	1	31	-2.0	-136.02	288.71	3.99	-132.03
CC[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010842543	0	31	-1.0	-53.90	297.16	4.28	-49.62
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010842544	0	31	-1.0	-53.93	299.75	4.99	-48.94
CC[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010842545	0	33	-1.0	-50.96	306.56	1.83	-49.13
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)OC)=C1Br)C(=O)[O-]	REAL300010842546	0	34	-1.0	-54.67	319.38	4.17	-50.50
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010842547	0	45	-1.0	-71.67	363.38	4.98	-66.69
CC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010842548	0	34	-1.0	-57.57	305.40	3.53	-54.04
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010842549	0	42	-1.0	-64.34	354.92	4.60	-59.74
CC[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010842550	0	28	-1.0	-47.87	278.24	1.15	-46.72
CC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842551	0	30	-1.0	-48.58	289.44	2.14	-46.44
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010842552	0	32	-1.0	-53.05	310.38	3.57	-49.48
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010842553	0	31	-1.0	-65.13	301.63	2.75	-62.38
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010842554	0	37	-1.0	-50.08	307.05	5.20	-44.88
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010842555	0	36	-1.0	-54.75	312.44	2.90	-51.85
CC[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010842556	0	37	-1.0	-63.69	323.59	0.22	-63.47
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010842557	0	29	-1.0	-52.98	296.01	3.87	-49.11
CC[C@@H](NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010842558	0	44	-1.0	-58.29	399.61	3.98	-54.31
CC[C@@H](NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010842558	1	43	-2.0	-91.43	396.63	2.39	-89.04
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010842559	0	36	-1.0	-58.90	313.57	3.28	-55.62
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010842560	0	30	-2.0	-118.25	305.46	2.80	-115.45
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010842560	1	31	-1.0	-51.10	315.36	2.42	-48.68
CC[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010842561	0	25	-1.0	-51.41	276.39	3.22	-48.19
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010842562	0	41	-1.0	-53.59	338.78	3.73	-49.86
CC[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010842563	0	32	-1.0	-54.99	304.41	4.86	-50.13
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010842564	0	30	-2.0	-108.68	289.87	3.64	-105.04
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010842565	0	32	-1.0	-55.75	294.76	2.57	-53.18
CC[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010842566	0	32	-1.0	-55.25	310.87	3.58	-51.67
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010842567	0	31	-1.0	-58.59	283.29	2.19	-56.40
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010842567	1	30	-2.0	-141.51	278.16	2.42	-139.09
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010842568	0	28	-2.0	-104.08	292.98	2.72	-101.36
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010842569	0	34	-1.0	-55.25	306.33	4.83	-50.42
CC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010842570	0	34	-1.0	-50.07	324.60	4.16	-45.91
CC[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010842571	0	31	-1.0	-53.22	288.51	3.36	-49.86
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010842572	0	38	-1.0	-53.54	325.72	3.30	-50.24
CC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010842573	0	46	-1.0	-58.49	356.89	6.33	-52.16
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010842574	0	34	-1.0	-50.57	326.49	4.89	-45.68
CC[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010842575	0	38	-1.0	-51.61	329.95	3.66	-47.95
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010842576	0	39	-1.0	-57.36	353.96	5.90	-51.46
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010842577	0	41	-1.0	-60.34	345.08	1.42	-58.92
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010842578	0	37	-1.0	-71.91	319.13	4.38	-67.53
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010842579	0	34	-1.0	-47.09	308.35	1.22	-45.87
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842580	0	32	-1.0	-47.86	311.73	4.35	-43.51
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010842581	0	40	-1.0	-55.81	356.14	5.90	-49.91
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010842582	0	37	-1.0	-53.51	344.31	5.61	-47.90
CC[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010842583	0	33	-1.0	-47.35	306.27	2.83	-44.52
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842584	0	31	-1.0	-49.11	300.76	4.09	-45.02
CC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010842585	0	28	-1.0	-52.19	272.18	3.37	-48.82
CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010842586	0	28	-1.0	-48.36	287.50	3.11	-45.25
CC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010842587	0	38	-1.0	-56.99	337.43	2.04	-54.95
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842588	0	25	-1.0	-52.88	261.10	1.78	-51.10
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010842588	1	24	-2.0	-123.06	253.13	2.07	-120.99
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010842589	0	31	-1.0	-47.22	307.18	4.43	-42.79
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842590	0	39	-1.0	-58.74	340.10	5.02	-53.72
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010842591	0	39	-1.0	-55.64	324.56	6.12	-49.52
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010842592	0	38	-1.0	-64.23	335.72	4.67	-59.56
CC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010842593	0	34	-1.0	-51.92	318.83	4.06	-47.86
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010842594	0	33	-1.0	-42.46	312.86	3.57	-38.89
CC[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010842595	0	35	-1.0	-62.63	308.43	1.34	-61.29
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300010842596	0	38	-1.0	-51.07	351.45	3.78	-47.29
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010842597	0	28	-1.0	-52.15	288.07	4.16	-47.99
CC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010842598	0	28	-1.0	-52.28	269.27	3.19	-49.09
CC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842599	0	31	-1.0	-55.23	279.51	3.85	-51.38
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010842600	0	34	-1.0	-51.07	321.16	3.33	-47.74
CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010842601	0	35	-1.0	-45.15	308.89	5.21	-39.94
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010842602	0	30	-1.0	-49.41	310.20	3.26	-46.15
CC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010842603	0	38	-1.0	-49.65	316.78	3.46	-46.19
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010842604	0	37	-1.0	-58.75	326.73	0.51	-58.24
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010842605	0	31	-1.0	-58.94	310.17	-0.49	-59.43
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010842606	0	37	-1.0	-58.75	326.73	0.51	-58.24
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842607	0	31	-1.0	-59.82	273.12	3.79	-56.03
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010842608	0	40	-1.0	-62.18	340.65	6.64	-55.54
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010842609	0	28	-1.0	-52.71	280.34	2.29	-50.42
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010842609	1	27	-2.0	-119.50	270.68	2.62	-116.88
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010842610	0	32	-1.0	-41.62	297.23	3.00	-38.62
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010842611	0	42	-1.0	-51.22	342.18	1.65	-49.57
CC[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010842612	0	34	-1.0	-52.42	308.74	4.52	-47.90
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010842613	0	32	-1.0	-53.52	294.76	2.57	-50.95
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010842614	0	35	-1.0	-50.78	344.61	2.93	-47.85
CC[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010842615	0	43	-1.0	-54.08	350.68	5.65	-48.43
CC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010842616	0	39	-1.0	-61.67	322.33	5.08	-56.59
CC[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010842617	0	36	-1.0	-53.71	310.70	3.11	-50.60
CCOCC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842618	0	38	-1.0	-54.97	332.21	3.70	-51.27
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842619	0	37	-1.0	-59.37	329.97	5.00	-54.37
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010842620	0	31	-1.0	-53.75	315.34	5.02	-48.73
CC[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010842621	0	38	-1.0	-50.91	335.68	4.22	-46.69
CC[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010842622	0	41	-1.0	-53.76	342.48	3.97	-49.79
CC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842623	0	31	-1.0	-54.52	300.58	4.70	-49.82
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010842623	1	30	-2.0	-132.02	303.52	5.50	-126.52
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010842624	0	39	-1.0	-52.49	344.16	5.85	-46.64
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](CC)C(=O)[O-]	REAL300010842625	0	40	-1.0	-61.14	341.17	5.68	-55.46
CC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010842626	0	34	-1.0	-50.73	312.96	4.76	-45.97
CC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010842627	0	33	-1.0	-52.65	314.62	4.45	-48.20
CC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010842627	1	32	-2.0	-131.84	311.51	4.83	-127.01
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010842628	0	34	-1.0	-49.91	327.80	4.54	-45.37
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010842628	1	33	-2.0	-121.26	314.83	4.57	-116.69
CC[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010842629	0	40	-1.0	-56.28	339.21	0.73	-55.55
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010842630	0	32	-1.0	-54.21	306.89	4.74	-49.47
CC[C@@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010842631	0	34	-1.0	-52.15	341.16	4.24	-47.91
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010842632	0	27	-2.0	-129.76	276.64	4.29	-125.47
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842633	0	30	-1.0	-48.02	296.91	2.30	-45.72
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842633	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010842634	0	33	-1.0	-61.26	312.94	4.24	-57.02
CC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010842635	0	33	-1.0	-57.41	306.75	3.93	-53.48
CC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842636	0	30	-1.0	-48.02	296.91	2.30	-45.72
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010842636	1	29	-2.0	-119.95	287.83	2.68	-117.27
CC[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010842637	0	31	-1.0	-53.75	315.34	5.02	-48.73
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010842638	0	37	-1.0	-57.44	312.17	5.81	-51.63
CC[C@@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010842639	0	32	-1.0	-61.65	305.87	3.96	-57.69
CC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010842639	1	31	-2.0	-139.40	300.59	4.15	-135.25
CC[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010842640	0	35	-1.0	-54.85	313.45	3.36	-51.49
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010842641	0	42	-1.0	-53.04	359.65	4.48	-48.56
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010842642	0	28	-1.0	-42.41	283.80	3.68	-38.73
CC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010842642	1	27	-2.0	-123.34	276.27	3.94	-119.40
CC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010842643	0	34	-1.0	-61.29	320.11	-0.64	-61.93
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010842644	0	38	-1.0	-55.21	325.06	4.28	-50.93
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010842645	0	34	-1.0	-57.31	322.91	0.86	-56.45
CC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010842646	0	32	-1.0	-52.73	309.69	4.85	-47.88
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010842647	0	32	-1.0	-52.81	309.68	4.86	-47.95
CC[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010842648	0	30	-1.0	-53.10	286.19	2.40	-50.70
CC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010842649	0	37	-1.0	-60.20	326.07	2.08	-58.12
CC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010842649	1	36	-2.0	-146.74	324.89	2.32	-144.42
CC[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010842650	0	45	-1.0	-57.72	332.37	5.85	-51.87
CC[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010842651	0	36	-1.0	-65.53	325.61	-0.19	-65.72
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C2C=CC=CN12	REAL300010842652	0	40	-1.0	-62.14	355.57	5.01	-57.13
CC[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010842653	0	32	-1.0	-58.88	303.11	2.03	-56.85
CC[C@@H](NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010842654	0	37	-1.0	-57.47	336.49	4.83	-52.64
CC[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010842655	0	38	-1.0	-57.79	338.67	5.87	-51.92
CC[C@@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010842656	0	39	-1.0	-57.54	305.33	3.23	-54.31
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010842657	0	50	-1.0	-54.97	384.96	7.19	-47.78
CC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010842658	0	31	-1.0	-56.81	300.68	3.82	-52.99
CC[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010842659	0	39	-1.0	-55.01	328.91	3.99	-51.02
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=NN1	REAL300010842660	0	34	-1.0	-53.60	313.46	0.96	-52.64
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842660	1	33	-2.0	-100.16	310.06	0.80	-99.36
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=N[N-]1	REAL300010842660	1	33	-2.0	-100.24	310.28	0.79	-99.45
CC[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010842661	0	33	-1.0	-54.61	306.38	1.57	-53.04
CC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010842662	0	30	-2.0	-117.40	301.38	2.70	-114.70
CC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010842662	1	31	-1.0	-51.20	311.29	2.32	-48.88
CC[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010842663	0	39	-1.0	-53.40	334.89	4.86	-48.54
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010842664	0	32	-1.0	-55.05	304.70	4.18	-50.87
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010842664	1	31	-2.0	-135.64	302.92	4.56	-131.08
CC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010842665	0	32	-1.0	-53.31	303.04	3.90	-49.41
CC[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010842666	0	32	-1.0	-55.93	292.07	2.54	-53.39
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010842666	1	31	-2.0	-135.43	284.81	2.97	-132.46
CC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010842667	0	32	-1.0	-56.42	300.71	2.66	-53.76
CC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010842668	0	31	-1.0	-53.34	281.24	4.40	-48.94
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010842669	0	37	-1.0	-51.64	334.16	3.50	-48.14
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010842670	0	25	-1.0	-47.57	281.34	3.11	-44.46
CC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010842670	1	24	-2.0	-119.47	273.79	3.45	-116.02
CC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010842671	0	41	-1.0	-51.80	346.16	5.32	-46.48
CC[C@@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010842672	0	45	-1.0	-53.05	373.66	4.92	-48.13
CC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010842673	0	31	-1.0	-52.38	310.01	4.37	-48.01
CC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010842674	0	33	-1.0	-55.82	308.19	3.66	-52.16
CC[C@@H](NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010842675	0	25	-1.0	-53.39	262.00	2.44	-50.95
CC[C@@H]([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010842675	1	24	-2.0	-126.85	265.32	3.46	-123.39
CC[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010842676	0	39	-1.0	-57.41	345.69	5.94	-51.47
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010842677	0	34	-1.0	-65.79	284.86	4.22	-61.57
CC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010842678	0	33	-1.0	-52.47	310.45	1.57	-50.90
CC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010842679	0	29	-1.0	-45.24	297.77	1.86	-43.38
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=C1	REAL300010842680	0	39	-1.0	-54.24	339.20	4.61	-49.63
CC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010842681	0	38	-1.0	-53.88	332.75	3.66	-50.22
CC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010842682	0	32	-1.0	-63.71	289.45	2.23	-61.48
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010842683	0	34	-1.0	-52.81	317.86	5.79	-47.02
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010842684	0	38	-1.0	-52.88	346.44	6.92	-45.96
CC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010842685	0	31	-1.0	-54.84	308.30	3.94	-50.90
CCC1=CC(S(=O)(=O)N[C@H](CC)C(=O)[O-])=CC=C1Br	REAL300010842686	0	34	-1.0	-50.88	314.56	4.86	-46.02
CC[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010842687	0	41	-1.0	-51.79	333.76	3.71	-48.08
CC[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010842688	0	42	-1.0	-59.71	360.40	3.39	-56.32
CC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010842689	0	34	-1.0	-54.42	312.42	5.81	-48.61
CC[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010842690	0	36	-1.0	-50.75	304.30	0.64	-50.11
CC[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010842691	0	34	-1.0	-53.08	320.35	2.82	-50.26
CC[C@@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010842692	0	42	-1.0	-64.60	362.28	3.65	-60.95
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010842693	0	43	-1.0	-54.28	357.41	3.37	-50.91
CC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010842694	0	31	-1.0	-51.83	298.01	0.78	-51.05
CC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010842695	0	27	-1.0	-49.35	282.90	1.01	-48.34
CC[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010842696	0	38	-1.0	-54.19	309.40	0.48	-53.71
CC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010842697	0	31	-1.0	-64.57	306.19	2.85	-61.72
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010842698	0	25	-2.0	-129.00	259.83	1.23	-127.77
CC[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010842698	1	26	-1.0	-52.56	269.39	0.84	-51.72
CC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010842699	0	32	-1.0	-64.56	304.40	1.08	-63.48
CC[C@@H](NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010842700	0	25	-1.0	-51.41	276.39	3.22	-48.19
CC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010842701	0	32	-1.0	-57.15	305.05	3.50	-53.65
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010842702	0	30	-1.0	-54.93	291.59	2.14	-52.79
CC[C@@H](NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010842703	0	31	-1.0	-44.42	296.03	0.34	-44.08
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])S1	REAL300010842704	0	37	-1.0	-57.12	338.35	2.08	-55.04
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])S1	REAL300010842704	1	36	-2.0	-98.57	335.02	0.95	-97.62
CC[C@@H](NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010842705	0	35	-1.0	-57.35	317.71	0.94	-56.41
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010842706	0	32	-1.0	-52.11	319.59	5.15	-46.96
CC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842707	0	33	-1.0	-55.69	303.50	5.02	-50.67
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010842708	0	26	-2.0	-136.80	270.61	2.12	-134.68
CC[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010842708	1	27	-1.0	-55.85	277.34	1.91	-53.94
CC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010842709	0	39	-1.0	-57.81	328.84	3.46	-54.35
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010842710	0	36	-1.0	-55.03	309.91	4.21	-50.82
CC[C@@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010842711	0	36	-1.0	-49.50	322.32	2.37	-47.13
CC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010842712	0	31	-1.0	-58.53	290.65	4.90	-53.63
CC[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010842713	0	35	-1.0	-52.45	306.91	4.30	-48.15
CC[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010842714	0	35	-1.0	-53.80	315.10	5.20	-48.60
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010842715	0	40	-1.0	-55.31	322.01	3.87	-51.44
CC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010842716	0	42	-1.0	-52.35	364.09	6.58	-45.77
CC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010842717	0	35	-1.0	-55.34	316.76	5.25	-50.09
CC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010842718	0	25	-1.0	-51.55	262.56	2.50	-49.05
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010842719	0	32	-1.0	-53.13	305.83	3.47	-49.66
CC[C@@H](NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010842720	0	30	-1.0	-51.78	284.37	2.51	-49.27
CC[C@@H](NS(=O)(=O)C1=CC(I)=CC=C1C)C(=O)[O-]	REAL300010842721	0	31	-1.0	-54.91	295.31	4.91	-50.00
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010842722	0	37	-1.0	-60.93	319.31	4.77	-56.16
CC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010842723	0	39	-1.0	-54.49	339.50	7.13	-47.36
CC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010842724	0	31	-1.0	-54.93	293.34	3.95	-50.98
CC[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010842725	0	27	-1.0	-48.95	271.66	1.81	-47.14
CC[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842726	0	30	-1.0	-59.45	276.16	2.52	-56.93
CC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010842726	1	29	-2.0	-140.48	274.03	2.59	-137.89
CC[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010842727	0	31	-1.0	-51.08	278.34	2.37	-48.71
CC[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010842728	0	36	-1.0	-61.39	306.85	-1.40	-62.79
CC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010842729	0	30	-1.0	-50.19	290.81	2.23	-47.96
CC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842730	0	26	-2.0	-123.65	276.78	2.69	-120.96
CC[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010842730	1	27	-1.0	-50.90	283.29	2.56	-48.34
CC[C@@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010842731	0	32	-1.0	-59.83	303.82	2.33	-57.50
CC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010842732	0	32	-1.0	-53.29	305.36	4.74	-48.55
CC[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010842733	0	37	-1.0	-61.02	335.63	2.56	-58.46
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010842734	0	35	-1.0	-60.24	307.72	5.26	-54.98
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1I)C(=O)[O-]	REAL300010842735	0	32	-1.0	-55.17	303.30	3.42	-51.75
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010842736	0	31	-1.0	-43.43	303.34	4.68	-38.75
CC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010842737	0	32	-1.0	-49.38	307.15	2.89	-46.49
CC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=C(C(C)C)C=C2)C=C1)C(=O)[O-]	REAL300010842738	0	51	-1.0	-53.29	426.72	8.22	-45.07
CC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010842739	0	35	-1.0	-61.90	297.60	2.95	-58.95
CCOC1=CC=C(S(=O)(=O)N[C@H](CC)C(=O)[O-])C=C1C(=O)OC	REAL300010842740	0	41	-1.0	-56.89	359.18	4.63	-52.26
CC[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010842741	0	41	-1.0	-58.84	354.81	5.52	-53.32
CC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010842742	0	34	-1.0	-51.74	320.33	1.26	-50.48
CC[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842743	0	34	-1.0	-53.56	318.84	4.96	-48.60
CC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010842743	1	33	-2.0	-132.24	316.50	5.46	-126.78
CC[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842744	0	33	-1.0	-58.60	291.82	2.63	-55.97
CC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842745	0	34	-1.0	-65.47	301.79	4.62	-60.85
CC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010842745	1	33	-2.0	-151.81	298.09	5.01	-146.80
CC[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010842746	0	28	-1.0	-53.43	273.53	4.13	-49.30
CC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1I)C(=O)[O-]	REAL300010842747	0	32	-1.0	-55.17	303.30	3.42	-51.75
CC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1)C(=O)[O-]	REAL300010842748	0	39	-1.0	-52.42	352.04	3.98	-48.44
CC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010842749	0	36	-1.0	-52.00	311.63	4.19	-47.81
CC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010842750	0	23	-2.0	-116.95	252.70	1.74	-115.21
CC[C@@H](NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010842750	1	24	-1.0	-47.88	260.20	1.48	-46.40
CC[C@@H](NS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010842751	0	30	-1.0	-51.40	291.90	1.50	-49.90
CC[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010842752	0	35	-1.0	-53.23	327.97	3.95	-49.28
CC[C@@H](NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300010842753	0	41	-1.0	-46.13	343.01	5.13	-41.00
CC[C@@H](NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010842754	0	32	-2.0	-106.44	302.03	3.03	-103.41
CC[C@@H](NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010842754	1	33	-1.0	-60.18	305.47	2.04	-58.14
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CN=C1Cl	REAL300010842755	0	33	-1.0	-50.75	311.31	2.63	-48.12
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010842756	0	34	-1.0	-49.59	331.34	4.86	-44.73
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300010842757	0	34	-1.0	-52.14	319.68	4.62	-47.52
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1C	REAL300010842758	0	46	-1.0	-44.20	370.28	6.93	-37.27
COC(=O)CC1(CS(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])CC1	REAL300010842759	0	43	-1.0	-48.56	373.85	4.81	-43.75
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842760	0	40	-1.0	-59.65	342.98	5.19	-54.46
CCOC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842761	0	43	-1.0	-43.71	387.65	5.89	-37.82
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010842762	0	34	-1.0	-43.10	338.88	5.32	-37.78
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010842763	0	40	-1.0	-44.85	366.52	5.03	-39.82
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842764	0	46	-1.0	-51.87	386.44	6.55	-45.32
CC(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842765	0	43	-1.0	-52.00	370.49	6.15	-45.85
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842766	0	46	-1.0	-51.65	388.69	6.83	-44.82
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010842767	0	34	-1.0	-43.43	322.65	4.09	-39.34
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010842768	0	38	-1.0	-45.11	346.77	1.11	-44.00
CC(=O)NCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842769	0	44	-1.0	-55.43	392.46	3.25	-52.18
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010842770	0	36	-1.0	-45.28	344.45	5.16	-40.12
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010842771	0	34	-1.0	-44.12	331.19	5.51	-38.61
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300010842772	0	31	-1.0	-49.21	319.82	3.89	-45.32
CCCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842773	0	43	-1.0	-52.12	374.65	6.44	-45.68
COC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842774	0	38	-1.0	-47.25	339.29	4.09	-43.16
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842775	0	45	-1.0	-53.25	377.44	3.27	-49.98
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010842776	0	34	-1.0	-43.64	329.12	4.48	-39.16
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010842776	1	33	-2.0	-124.84	326.67	4.17	-120.67
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010842777	0	34	-1.0	-47.37	343.51	5.26	-42.11
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC=C1Cl	REAL300010842778	0	34	-1.0	-52.34	316.99	4.51	-47.83
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010842779	0	33	-2.0	-137.73	317.10	4.26	-133.47
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010842779	1	34	-1.0	-47.50	319.17	4.55	-42.95
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010842780	0	33	-1.0	-43.15	322.88	2.94	-40.21
N#CC1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842781	0	35	-1.0	-40.93	329.60	4.65	-36.28
N#CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842782	0	35	-1.0	-50.01	331.05	4.61	-45.40
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010842783	0	34	-1.0	-43.25	319.23	4.46	-38.79
CC1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1Br	REAL300010842784	0	37	-1.0	-42.22	350.52	5.48	-36.74
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1NC(C)=O	REAL300010842785	0	45	-1.0	-52.18	394.46	2.64	-49.54
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010842786	0	38	-1.0	-48.94	356.02	4.03	-44.91
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(C)=C1C	REAL300010842787	0	49	-1.0	-52.41	379.77	7.09	-45.32
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010842788	0	43	-1.0	-44.45	373.83	4.25	-40.20
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010842789	0	39	-1.0	-47.95	355.22	5.48	-42.47
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Br)S1	REAL300010842790	0	31	-1.0	-49.54	324.69	3.97	-45.57
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842791	0	52	-1.0	-51.02	413.21	8.13	-42.89
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010842792	0	50	-1.0	-51.47	411.89	8.05	-43.42
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010842793	0	37	-1.0	-48.34	348.73	5.24	-43.10
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010842794	0	44	-1.0	-45.07	371.48	6.75	-38.32
CCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842795	0	40	-1.0	-52.29	353.15	5.66	-46.63
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842796	0	42	-1.0	-44.99	350.58	3.68	-41.31
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1OC	REAL300010842797	0	42	-1.0	-46.34	369.74	3.49	-42.85
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010842798	0	41	-1.0	-46.97	356.57	6.21	-40.76
CC1=NOC(C)=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842799	0	36	-1.0	-45.99	321.74	3.14	-42.85
CC(=O)NCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010842800	0	41	-1.0	-55.40	385.40	2.44	-52.96
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010842801	0	42	-1.0	-46.18	365.36	6.69	-39.49
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(F)=CC=C1F	REAL300010842802	0	34	-1.0	-42.80	310.37	4.01	-38.79
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010842802	1	33	-2.0	-132.25	315.39	4.70	-127.55
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842803	0	44	-1.0	-55.59	375.63	3.89	-51.70
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010842804	0	31	-1.0	-47.87	326.39	4.07	-43.80
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010842804	1	30	-2.0	-119.45	324.40	4.79	-114.66
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842805	0	49	-1.0	-52.06	413.74	7.73	-44.33
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010842806	0	40	-1.0	-56.13	344.26	6.04	-50.09
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010842807	0	44	-1.0	-52.73	384.43	7.63	-45.10
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842808	0	37	-1.0	-41.11	326.58	5.13	-35.98
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842809	0	49	-1.0	-51.92	400.71	7.02	-44.90
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1Cl	REAL300010842810	0	37	-1.0	-43.58	346.13	5.44	-38.14
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010842811	0	34	-1.0	-38.90	330.01	4.47	-34.43
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(F)=C1	REAL300010842812	0	37	-1.0	-47.31	323.92	4.61	-42.70
CC1=CC=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842813	0	37	-1.0	-53.29	318.31	4.73	-48.56
CC1=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CN1C	REAL300010842814	0	37	-1.0	-53.97	334.54	3.19	-50.78
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010842815	0	37	-1.0	-42.04	342.70	4.96	-37.08
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010842816	0	34	-1.0	-38.94	315.20	4.06	-34.88
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010842816	1	33	-2.0	-121.94	321.70	4.74	-117.20
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300010842817	0	35	-1.0	-60.72	319.82	3.12	-57.60
CC1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1F	REAL300010842818	0	37	-1.0	-42.01	337.75	5.00	-37.01
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010842819	0	37	-1.0	-39.47	355.33	5.35	-34.12
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010842820	0	39	-1.0	-52.72	350.95	4.95	-47.77
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010842821	0	37	-1.0	-51.45	331.59	4.87	-46.58
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010842822	0	34	-1.0	-47.44	320.15	4.46	-42.98
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842823	0	40	-1.0	-40.43	351.08	4.75	-35.68
CC1=CC=C(F)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842824	0	37	-1.0	-47.63	325.37	4.62	-43.01
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1F	REAL300010842825	0	38	-1.0	-43.44	346.38	3.70	-39.74
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1F	REAL300010842826	0	37	-1.0	-44.47	337.39	5.03	-39.44
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010842827	0	33	-2.0	-127.97	316.49	4.98	-122.99
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010842827	1	34	-1.0	-50.90	323.52	4.55	-46.35
CN1C=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842828	0	34	-1.0	-58.84	312.23	3.63	-55.21
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CN=C1	REAL300010842829	0	33	-1.0	-43.74	306.02	2.52	-41.22
CC(=O)NC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1Cl	REAL300010842830	0	41	-1.0	-49.90	380.84	3.84	-46.06
CN(C1CCCCC1)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842831	0	45	-1.0	-52.31	360.11	4.45	-47.86
CC1CCCCN1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842832	0	42	-1.0	-41.71	339.16	4.32	-37.39
CC(C)N(C)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842833	0	38	-1.0	-41.17	320.19	2.77	-38.40
CCCN(CCC)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842834	0	44	-1.0	-41.97	366.22	4.60	-37.37
CN(CCC#N)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842835	0	36	-1.0	-43.12	330.63	2.93	-40.19
N#CC1=CC=CC(CS(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842836	0	38	-1.0	-57.34	354.50	5.33	-52.01
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CCC1=CC=CC=C1	REAL300010842837	0	40	-1.0	-42.79	353.70	5.77	-37.02
CC1=CC=C(Cl)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1Cl	REAL300010842838	0	37	-1.0	-53.61	349.00	5.99	-47.62
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010842839	0	37	-1.0	-53.22	365.55	5.92	-47.30
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300010842840	0	44	-1.0	-55.13	373.63	5.45	-49.68
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1C(N)=O	REAL300010842841	0	41	-1.0	-43.43	359.37	1.72	-41.71
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1C(N)=O	REAL300010842842	0	42	-1.0	-47.69	372.83	1.68	-46.01
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842843	0	39	-1.0	-48.04	346.75	5.39	-42.65
CC(=O)NC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(F)=C1	REAL300010842844	0	41	-1.0	-61.64	360.30	2.82	-58.82
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842845	0	39	-1.0	-42.52	343.55	5.55	-36.97
CN1C=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1Cl	REAL300010842846	0	34	-1.0	-57.45	326.26	4.07	-53.38
CN1C=NC(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])=C1Cl	REAL300010842846	1	33	-2.0	-137.13	320.95	4.13	-133.00
CC1=CC(F)=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842847	0	37	-1.0	-43.32	336.56	4.99	-38.33
COCCOCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842848	0	41	-1.0	-45.88	361.44	1.26	-44.62
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842849	0	40	-1.0	-43.95	380.28	5.42	-38.53
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010842850	0	33	-1.0	-43.70	325.93	2.93	-40.77
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842851	0	43	-1.0	-65.01	395.31	2.43	-62.58
CC(=O)NC1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1F	REAL300010842852	0	41	-1.0	-49.07	370.79	3.26	-45.81
CS(=O)(=O)CCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842853	0	39	-1.0	-48.98	357.42	0.30	-48.68
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(C)=C1C	REAL300010842854	0	44	-1.0	-53.04	364.81	4.71	-48.33
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC(CC3=CC=NC=C3)C(=O)[O-])C=C21	REAL300010842855	0	45	-1.0	-42.70	392.08	3.76	-38.94
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010842856	0	37	-1.0	-52.80	355.17	5.55	-47.25
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842857	0	47	-1.0	-60.59	413.74	4.03	-56.56
CCCCN(C)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842858	0	41	-1.0	-41.30	352.54	3.97	-37.33
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842859	0	42	-1.0	-42.21	367.77	6.66	-35.55
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842860	0	46	-1.0	-52.24	391.46	6.90	-45.34
COCCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842861	0	44	-1.0	-52.08	386.61	4.75	-47.33
COCCN(CCOC)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842862	0	46	-1.0	-42.60	380.20	1.58	-41.02
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842863	0	37	-1.0	-40.65	336.91	5.58	-35.07
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842864	0	50	-1.0	-50.91	421.90	6.57	-44.34
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010842865	0	48	-1.0	-51.19	404.34	6.41	-44.78
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842866	0	47	-1.0	-44.47	403.96	6.01	-38.46
CCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842867	0	44	-1.0	-51.42	383.07	5.25	-46.17
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1Cl	REAL300010842868	0	38	-1.0	-42.92	356.18	4.18	-38.74
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1C	REAL300010842869	0	41	-1.0	-44.66	360.23	4.36	-40.30
CC1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300010842870	0	47	-1.0	-45.78	400.35	5.88	-39.90
COC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(C)=C1	REAL300010842871	0	41	-1.0	-44.08	352.63	4.44	-39.64
COCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842872	0	45	-1.0	-53.81	395.20	3.72	-50.09
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300010842873	0	37	-1.0	-55.22	339.18	4.96	-50.26
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842874	0	45	-1.0	-57.39	401.03	3.88	-53.51
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(Br)=C1	REAL300010842875	0	37	-1.0	-42.62	343.41	5.58	-37.04
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842876	0	40	-1.0	-45.48	370.53	6.28	-39.20
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010842877	0	39	-1.0	-46.80	349.72	4.64	-42.16
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842878	0	38	-1.0	-54.83	346.19	4.67	-50.16
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842878	1	37	-2.0	-133.21	341.16	4.84	-128.37
CC1=CC(C#N)=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842879	0	38	-1.0	-39.24	340.25	5.42	-33.82
N#CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(F)=C1	REAL300010842880	0	35	-1.0	-43.57	324.72	4.35	-39.22
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842881	0	38	-1.0	-40.39	362.87	5.41	-34.98
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=NOC=C1	REAL300010842882	0	33	-1.0	-59.06	308.86	2.20	-56.86
COC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1OC	REAL300010842883	0	44	-1.0	-46.71	393.10	5.00	-41.71
COC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1C	REAL300010842884	0	43	-1.0	-43.82	381.81	5.49	-38.33
COC(=O)CCN(C)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842885	0	41	-1.0	-45.57	364.92	3.19	-42.38
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])CC1	REAL300010842886	0	44	-1.0	-49.36	369.00	-0.44	-49.80
CN(C1CCOCC1)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842887	0	43	-1.0	-41.59	354.74	2.23	-39.36
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)N1CC2CCC1C2	REAL300010842888	0	40	-1.0	-45.19	330.58	3.71	-41.48
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010842889	0	43	-1.0	-62.01	378.67	4.31	-57.70
CC1=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010842890	0	43	-1.0	-54.05	379.67	5.46	-48.59
CCN1N=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1C	REAL300010842891	0	43	-1.0	-53.15	366.47	4.04	-49.11
CC(C)N1C=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=N1	REAL300010842892	0	40	-1.0	-45.86	355.78	3.38	-42.48
CC(C)CN1C=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842893	0	43	-1.0	-60.38	376.05	5.23	-55.15
CC(C)N1C=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842894	0	40	-1.0	-60.08	353.78	4.73	-55.35
CC(C)C1=NC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CN1	REAL300010842895	0	40	-1.0	-50.71	352.55	2.68	-48.03
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842896	0	46	-1.0	-43.64	354.61	7.00	-36.64
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842897	0	42	-1.0	-50.74	375.29	3.70	-47.04
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CCC1=CC=CC=C1	REAL300010842898	0	40	-1.0	-42.79	353.70	5.77	-37.02
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010842899	0	41	-1.0	-54.50	375.97	5.58	-48.92
COC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CN1	REAL300010842900	0	38	-1.0	-52.68	354.19	2.60	-50.08
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COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842903	0	40	-1.0	-56.56	371.60	5.11	-51.45
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842904	0	43	-1.0	-52.86	380.90	2.59	-50.27
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842908	0	42	-1.0	-54.21	386.62	0.41	-53.80
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010842909	0	44	-1.0	-61.00	407.16	3.17	-57.83
COC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010842910	0	37	-1.0	-45.47	348.30	3.08	-42.39
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])O1	REAL300010842910	1	36	-2.0	-122.25	343.05	3.38	-118.87
COC(=O)C1=C(C)OC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842911	0	40	-1.0	-45.36	366.72	3.75	-41.61
CC1=NC(C)=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])S1	REAL300010842912	0	36	-1.0	-43.56	334.06	2.86	-40.70
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010842913	0	35	-2.0	-145.55	329.50	6.27	-139.28
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010842913	1	36	-1.0	-63.79	336.92	5.90	-57.89
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010842914	0	37	-1.0	-51.79	367.11	5.96	-45.83
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C(C)N1	REAL300010842915	0	47	-1.0	-50.36	403.35	4.83	-45.53
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1CCCCC1	REAL300010842916	0	43	-1.0	-40.70	348.97	5.34	-35.36
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842917	0	43	-1.0	-45.43	374.21	5.69	-39.74
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010842918	0	36	-1.0	-44.71	345.10	6.31	-38.40
COC1=CC(F)=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1OC	REAL300010842919	0	42	-1.0	-46.55	375.26	3.56	-42.99
COC1=CC(C)=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1OC	REAL300010842920	0	45	-1.0	-53.94	377.40	3.89	-50.05
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010842921	0	37	-1.0	-57.05	348.26	5.08	-51.97
COC(=O)CCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842922	0	39	-1.0	-42.52	349.25	3.55	-38.97
N#CC1=CC(F)=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842923	0	35	-1.0	-40.86	330.56	4.46	-36.40
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842924	0	35	-1.0	-40.91	340.88	4.92	-35.99
CC(C)OCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842925	0	40	-1.0	-43.14	348.09	2.74	-40.40
CC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1Br	REAL300010842926	0	37	-1.0	-43.57	350.16	5.52	-38.05
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842927	0	37	-1.0	-50.34	322.42	4.75	-45.59
COC(=O)CN1C=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=N1	REAL300010842928	0	40	-1.0	-52.77	370.37	3.07	-49.70
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010842929	0	40	-1.0	-51.95	359.68	6.52	-45.43
N#CCC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842930	0	38	-1.0	-59.02	352.50	5.39	-53.63
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010842931	0	52	-1.0	-43.08	398.10	5.98	-37.10
CC1=NC2=C(S(=O)(=O)NC(CC3=CC=NC=C3)C(=O)[O-])C=CC=C2C=C1	REAL300010842932	0	42	-1.0	-51.15	355.17	5.88	-45.27
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010842933	0	45	-1.0	-46.86	388.17	2.84	-44.02
CC1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1Br	REAL300010842934	0	37	-1.0	-52.69	337.81	5.16	-47.53
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842935	0	40	-1.0	-52.55	367.36	5.71	-46.84
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010842936	0	42	-1.0	-44.17	369.06	2.04	-42.13
COC1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010842937	0	40	-1.0	-42.42	366.19	5.07	-37.35
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842938	0	40	-1.0	-40.54	359.25	6.07	-34.47
COCCN1C=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=N1	REAL300010842939	0	41	-1.0	-46.88	370.77	1.91	-44.97
CC(C)(C)CCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842940	0	42	-1.0	-42.04	350.16	4.45	-37.59
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842941	0	44	-1.0	-44.70	361.87	5.83	-38.87
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010842942	0	39	-1.0	-59.04	358.31	4.42	-54.62
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010842943	0	41	-1.0	-50.18	371.58	5.43	-44.75
N#CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842944	0	35	-1.0	-47.04	334.76	4.62	-42.42
CCOCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842945	0	48	-1.0	-53.85	417.05	4.69	-49.16
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842946	0	50	-1.0	-51.34	426.07	6.81	-44.53
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010842947	0	36	-1.0	-62.22	345.01	6.45	-55.77
O=C([O-])C(CC1=CC=NC=C1)[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010842947	1	35	-2.0	-138.69	337.20	6.76	-131.93
COC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1F	REAL300010842948	0	40	-1.0	-42.90	369.99	5.01	-37.89
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842949	0	44	-1.0	-45.18	377.46	4.74	-40.44
COC(=O)C1=CSC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842950	0	37	-1.0	-43.35	356.88	3.97	-39.38
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842951	0	46	-1.0	-52.27	391.44	5.99	-46.28
COC(=O)C1=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC=C1C	REAL300010842952	0	43	-1.0	-46.03	381.82	5.48	-40.55
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842953	0	40	-1.0	-45.84	358.70	4.59	-41.25
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010842954	0	44	-1.0	-44.56	361.20	6.81	-37.75
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010842955	0	40	-1.0	-54.12	358.26	6.04	-48.08
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010842956	0	33	-1.0	-47.41	326.41	3.03	-44.38
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1CCOCC1	REAL300010842957	0	41	-1.0	-41.13	340.12	2.93	-38.20
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010842958	0	41	-1.0	-62.91	374.70	2.10	-60.81
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842959	0	37	-1.0	-50.35	335.36	5.24	-45.11
CC1(C)CC2=CC(S(=O)(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=CC=C2O1	REAL300010842960	0	45	-1.0	-44.98	386.22	5.52	-39.46
COC(=O)C(C)CS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842961	0	39	-1.0	-46.75	343.23	3.51	-43.24
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842962	0	43	-1.0	-52.98	392.83	2.74	-50.24
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010842963	0	36	-1.0	-42.45	359.28	4.21	-38.24
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842964	0	39	-1.0	-60.76	356.70	4.89	-55.87
CN(C1CCCC1)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842965	0	42	-1.0	-39.99	341.20	3.89	-36.10
CCCN(C)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842966	0	38	-1.0	-41.36	331.04	3.19	-38.17
CC1=NOC(CS(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842967	0	36	-1.0	-41.73	329.13	3.14	-38.59
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1	REAL300010842968	0	39	-1.0	-42.87	361.33	-0.21	-43.08
COC(=O)CC1(CS(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])CC1	REAL300010842969	0	43	-1.0	-48.56	373.85	4.81	-43.75
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842970	0	39	-1.0	-51.97	350.67	3.74	-48.23
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CN=CC(F)=C1	REAL300010842971	0	33	-1.0	-47.45	311.50	2.51	-44.94
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300010842972	0	39	-1.0	-51.23	346.01	3.54	-47.69
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010842973	0	42	-1.0	-60.40	373.52	5.49	-54.91
CCOCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842974	0	37	-1.0	-43.07	327.81	1.99	-41.08
N#CCCCCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842975	0	37	-1.0	-46.48	337.28	4.04	-42.44
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300010842976	0	40	-1.0	-44.19	351.42	0.67	-43.52
CN1C(=O)N(C)C2=CC(S(=O)(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=CC=C21	REAL300010842977	0	44	-1.0	-46.27	389.01	5.17	-41.10
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010842978	0	39	-1.0	-56.00	358.52	4.39	-51.61
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(C)=C1	REAL300010842979	0	44	-1.0	-44.08	374.46	5.37	-38.71
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300010842980	0	42	-1.0	-51.77	387.28	0.49	-51.28
CS(=O)(=O)CCS(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842981	0	36	-1.0	-55.87	337.06	-0.50	-56.37
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842982	0	43	-1.0	-55.56	378.72	6.05	-49.51
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300010842983	0	38	-1.0	-53.02	345.38	4.76	-48.26
CSC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842984	0	38	-1.0	-51.26	350.47	5.25	-46.01
CCCOC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842985	0	46	-1.0	-42.85	408.80	6.71	-36.14
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300010842986	0	40	-1.0	-55.84	372.94	5.93	-49.91
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842987	0	45	-1.0	-42.96	378.40	6.05	-36.91
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(Cl)N=C1Cl	REAL300010842988	0	33	-1.0	-41.90	332.23	3.31	-38.59
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300010842989	0	40	-1.0	-48.45	354.14	3.96	-44.49
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300010842990	0	39	-1.0	-46.09	341.71	4.57	-41.52
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842991	0	37	-1.0	-40.63	341.47	5.69	-34.94
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1	REAL300010842992	0	42	-1.0	-44.38	368.58	3.44	-40.94
CCOC1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1OCC	REAL300010842993	0	48	-1.0	-47.95	413.46	5.34	-42.61
CN1C=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010842994	0	40	-1.0	-50.76	357.60	3.32	-47.44
CN1C=C(S(=O)(=O)[N-]C(CC2=CC=NC=C2)C(=O)[O-])C(=O)N(C)C1=O	REAL300010842994	1	39	-2.0	-125.90	354.57	3.00	-122.90
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300010842995	0	40	-1.0	-46.12	347.86	3.38	-42.74
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842996	0	39	-1.0	-49.48	364.91	-0.72	-50.20
O=C([O-])C(CC1=CC=NC=C1)NS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1	REAL300010842997	0	45	-1.0	-60.50	387.83	5.36	-55.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=C1C	REAL300010842998	0	42	-1.0	-55.86	362.77	5.87	-49.99
COC(=O)C1=CC=C(S(=O)(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300010842999	0	40	-1.0	-50.35	364.79	4.90	-45.45
CC(=O)N1CCC2=CC(S(=O)(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=CC=C21	REAL300010843000	0	45	-1.0	-56.66	389.92	5.33	-51.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010844617	0	35	-1.0	-55.77	331.75	6.84	-48.93
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844618	0	43	-1.0	-65.67	360.62	4.43	-61.24
COC1=C(F)C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844619	0	38	-1.0	-57.22	339.78	6.16	-51.06
COC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844620	0	42	-1.0	-51.51	360.34	4.01	-47.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010844621	0	43	-1.0	-64.88	365.31	6.43	-58.45
COC1=CC=C(CCS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844622	0	42	-1.0	-62.04	348.32	6.51	-55.53
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010844623	0	35	-1.0	-58.44	315.34	4.20	-54.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010844624	0	43	-1.0	-49.83	351.84	6.15	-43.68
CC1=CC=NC2=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010844625	0	40	-1.0	-72.26	327.92	7.18	-65.08
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010844626	0	35	-1.0	-53.19	302.06	5.55	-47.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010844627	0	35	-1.0	-59.89	316.66	6.28	-53.61
CC1=CC(Br)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844628	0	35	-1.0	-57.70	318.98	6.61	-51.09
CSC1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844629	0	36	-1.0	-66.71	305.54	5.84	-60.87
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010844630	0	43	-1.0	-65.62	346.01	4.34	-61.28
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010844631	0	44	-1.0	-56.35	356.10	4.05	-52.30
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010844632	0	40	-1.0	-51.15	339.57	5.84	-45.31
COC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844633	0	42	-1.0	-51.51	360.34	4.01	-47.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010844634	0	40	-1.0	-53.23	322.36	5.12	-48.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010844635	0	35	-1.0	-64.26	321.59	6.78	-57.48
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300010844636	0	42	-1.0	-62.96	354.74	5.81	-57.15
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=CS1	REAL300010844637	0	38	-1.0	-69.61	322.55	6.31	-63.30
COC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010844638	0	36	-1.0	-47.21	305.60	4.08	-43.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844639	0	43	-1.0	-64.19	354.87	5.47	-58.72
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844640	0	46	-1.0	-56.32	371.95	5.81	-50.51
CC(C)C1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844641	0	41	-1.0	-63.23	320.14	7.17	-56.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010844642	0	46	-1.0	-67.05	386.69	8.54	-58.51
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844643	0	40	-1.0	-69.59	350.90	7.57	-62.02
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010844644	0	44	0.0	-65.51	344.92	6.50	-59.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010844645	0	40	-1.0	-50.60	318.04	5.00	-45.60
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010844646	0	47	-1.0	-57.82	399.97	8.01	-49.81
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CS1	REAL300010844647	0	35	-1.0	-61.23	308.88	6.29	-54.94
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844648	0	44	-1.0	-63.86	360.52	7.19	-56.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010844649	0	32	-1.0	-58.41	305.04	6.01	-52.40
CC1=C(Cl)SC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844650	0	32	-1.0	-44.00	299.43	4.98	-39.02
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010844651	0	38	-1.0	-60.17	320.20	6.16	-54.01
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844652	0	36	-1.0	-63.34	307.39	4.58	-58.76
CC1=CC=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010844653	0	40	-1.0	-77.12	328.98	8.15	-68.97
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010844654	0	38	-1.0	-47.75	327.55	6.38	-41.37
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844655	0	42	-1.0	-52.15	357.86	7.78	-44.37
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844656	0	35	-1.0	-55.19	310.91	6.27	-48.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010844657	0	37	-1.0	-50.04	311.11	5.02	-45.02
CC1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844658	0	38	-1.0	-64.10	324.71	7.08	-57.02
CC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844659	0	40	-1.0	-59.96	328.81	6.82	-53.14
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010844660	0	32	-1.0	-61.49	300.30	6.02	-55.47
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844661	0	42	-1.0	-52.15	357.86	7.78	-44.37
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010844662	0	31	-1.0	-51.74	292.20	4.34	-47.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010844663	0	32	-1.0	-46.55	305.97	5.76	-40.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010844664	0	43	-1.0	-51.54	366.50	4.43	-47.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010844665	0	32	-1.0	-46.78	286.76	5.01	-41.77
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844666	0	42	-1.0	-66.60	335.62	6.85	-59.75
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844667	0	35	-1.0	-55.94	301.63	2.35	-53.59
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300010844668	0	36	-1.0	-45.29	309.80	5.61	-39.68
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844669	0	38	-1.0	-53.86	329.09	5.40	-48.46
COC1=CC=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844670	0	36	-1.0	-62.77	316.79	5.67	-57.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010844671	0	33	-1.0	-61.51	301.96	4.46	-57.05
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010844672	0	45	-1.0	-47.23	359.29	8.08	-39.15
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010844673	0	43	-1.0	-63.39	357.18	6.21	-57.18
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010844674	0	49	-1.0	-65.61	356.54	11.87	-53.74
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010844675	0	46	-1.0	-63.82	364.61	7.01	-56.81
COC1=CC=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844676	0	39	-1.0	-62.58	313.41	4.91	-57.67
COC(=O)C1=CN=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844677	0	37	-1.0	-53.43	319.90	3.51	-49.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010844678	0	33	-1.0	-40.48	310.29	5.60	-34.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010844679	0	34	-1.0	-53.34	323.58	6.51	-46.83
COC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844680	0	39	-1.0	-63.99	329.56	5.83	-58.16
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844681	0	38	-1.0	-44.48	338.22	5.47	-39.01
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010844682	0	39	-1.0	-62.30	326.32	5.15	-57.15
COC1=CC(Cl)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OC	REAL300010844683	0	40	-1.0	-60.53	341.67	4.68	-55.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010844684	0	36	-1.0	-51.54	315.28	4.35	-47.19
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010844685	0	35	-1.0	-40.66	314.14	5.76	-34.90
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844686	0	43	-1.0	-53.08	361.20	1.79	-51.29
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2S1	REAL300010844687	0	44	-1.0	-61.72	390.90	8.38	-53.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300010844688	0	36	-1.0	-50.34	312.11	5.86	-44.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010844689	0	38	-1.0	-73.72	327.64	4.93	-68.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010844690	0	37	-1.0	-62.82	333.04	0.95	-61.87
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844691	0	38	-1.0	-61.22	332.62	5.96	-55.26
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844692	0	40	-1.0	-68.32	343.80	7.18	-61.14
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010844693	0	36	-1.0	-60.07	315.04	4.86	-55.21
CC1=CC2=C(C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])OCO2	REAL300010844694	0	38	-1.0	-58.72	309.94	4.28	-54.44
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844695	0	38	-1.0	-56.24	319.82	6.12	-50.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010844696	0	32	-1.0	-58.32	299.71	5.99	-52.33
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844697	0	38	-1.0	-54.33	303.96	7.13	-47.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010844698	0	32	-1.0	-58.32	302.30	6.08	-52.24
COC1=CC2=C(C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300010844699	0	42	-1.0	-63.92	350.82	2.40	-61.52
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010844700	0	34	-1.0	-55.61	322.32	6.45	-49.16
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)S1	REAL300010844701	0	30	-1.0	-57.45	287.00	5.23	-52.22
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010844702	0	34	-1.0	-54.21	318.54	6.33	-47.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010844703	0	32	-1.0	-54.41	303.05	6.95	-47.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010844704	0	33	-1.0	-68.01	297.20	4.00	-64.01
COC1=CN=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844705	0	35	-1.0	-50.34	294.53	2.13	-48.21
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010844706	0	32	-1.0	-64.70	299.45	5.75	-58.95
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1OC	REAL300010844707	0	42	-1.0	-49.72	348.50	5.31	-44.41
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010844708	0	32	-1.0	-57.41	302.30	6.07	-51.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010844709	0	35	-1.0	-49.91	311.15	6.03	-43.88
CC(=O)NC1=NC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844710	0	35	-1.0	-64.05	321.27	2.85	-61.20
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844710	1	34	-2.0	-104.85	318.00	1.73	-103.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010844711	0	35	-1.0	-49.86	315.72	6.13	-43.73
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010844712	0	36	-1.0	-67.64	327.52	2.63	-65.01
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844713	0	41	-1.0	-58.44	329.12	7.03	-51.41
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844714	0	40	-1.0	-65.34	339.48	3.63	-61.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010844715	0	36	-1.0	-67.40	332.09	2.73	-64.67
CCOC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844716	0	39	-1.0	-55.81	321.25	4.93	-50.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010844717	0	43	-1.0	-70.62	351.01	6.63	-63.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010844718	0	36	-1.0	-37.99	323.11	5.79	-32.20
COCCN(CCC#N)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844719	0	41	-1.0	-66.90	343.57	4.74	-62.16
CC1=CC=C(CCS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844720	0	41	-1.0	-61.47	340.23	7.89	-53.58
COC1=CC=C(Br)C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844721	0	39	-1.0	-50.39	340.59	5.37	-45.02
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCOC(C#N)C1	REAL300010844722	0	36	-1.0	-59.23	306.61	2.56	-56.67
CCN(CC(C)C#N)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844723	0	40	-1.0	-65.56	319.26	5.85	-59.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010844724	0	35	-1.0	-64.68	298.29	4.33	-60.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010844725	0	33	-1.0	-70.49	307.15	5.74	-64.75
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010844726	0	33	-1.0	-66.56	306.79	6.29	-60.27
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844727	0	38	-1.0	-47.76	317.19	6.27	-41.49
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010844728	0	38	-1.0	-66.77	330.94	6.45	-60.32
COCCOCCOCCS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844729	0	46	-1.0	-53.78	379.12	2.11	-51.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844730	0	42	-1.0	-70.08	360.74	2.66	-67.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010844731	0	32	-1.0	-53.77	286.03	5.41	-48.36
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2CC1	REAL300010844732	0	49	-1.0	-70.92	389.43	7.30	-63.62
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010844733	0	41	-1.0	-51.24	351.37	6.07	-45.17
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1OC	REAL300010844734	0	42	-1.0	-55.88	364.31	7.33	-48.55
CCCC1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844735	0	41	-1.0	-62.64	347.28	7.68	-54.96
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844736	0	41	-1.0	-62.29	343.21	7.40	-54.89
C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)N(C)C1CCS(=O)(=O)C1	REAL300010844737	0	39	-1.0	-69.50	305.03	3.41	-66.09
CNC(=O)C1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844738	0	42	-1.0	-70.55	354.61	4.65	-65.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010844739	0	32	-1.0	-61.45	294.66	5.80	-55.65
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010844740	0	45	-1.0	-47.72	371.42	6.36	-41.36
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010844741	0	41	-1.0	-57.85	366.97	7.24	-50.61
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010844742	0	34	-1.0	-50.83	307.07	6.27	-44.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010844743	0	41	-1.0	-77.97	334.73	2.88	-75.09
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844744	0	40	-1.0	-62.21	339.50	6.74	-55.47
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1OC	REAL300010844745	0	43	-1.0	-60.08	365.97	5.47	-54.61
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010844746	0	44	-1.0	-60.76	370.17	7.72	-53.04
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844747	0	46	-1.0	-67.22	381.42	2.90	-64.32
COCC1=CC=C(OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844748	0	43	-1.0	-67.29	355.12	4.86	-62.43
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844749	0	45	-1.0	-66.72	376.58	6.73	-59.99
CCOC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010844750	0	44	-1.0	-45.11	359.12	6.71	-38.40
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010844751	0	35	-1.0	-61.69	305.87	6.80	-54.89
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844752	0	44	-1.0	-57.75	367.95	7.06	-50.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844753	0	38	-1.0	-67.55	337.51	7.71	-59.84
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010844754	0	35	-1.0	-63.09	321.19	7.17	-55.92
CC(COC1CCCC1)CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844755	0	48	-1.0	-63.44	374.18	7.09	-56.35
CC1=C(CCS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])SC=N1	REAL300010844756	0	37	-1.0	-48.04	319.43	4.02	-44.02
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010844757	0	38	-1.0	-45.61	332.63	6.81	-38.80
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844758	0	41	-1.0	-64.57	354.52	6.86	-57.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010844759	0	42	-1.0	-56.62	344.03	8.11	-48.51
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844760	0	46	-1.0	-51.42	385.71	2.39	-49.03
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010844761	0	35	-1.0	-49.57	311.14	6.09	-43.48
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1C	REAL300010844762	0	44	-1.0	-66.48	378.27	6.55	-59.93
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010844763	0	38	-1.0	-59.82	336.97	2.53	-57.29
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010844764	0	36	-1.0	-65.18	324.02	6.20	-58.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010844765	0	35	-1.0	-47.75	298.74	5.46	-42.29
CC1=NC(Cl)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844766	0	34	-1.0	-45.28	290.11	3.89	-41.39
CC1=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300010844767	0	35	-1.0	-62.90	316.93	4.78	-58.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010844768	0	33	-1.0	-48.86	293.34	3.51	-45.35
COC(=O)C(C)(C)CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844769	0	40	-1.0	-59.22	324.24	5.40	-53.82
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844770	0	45	-1.0	-69.42	363.84	5.56	-63.86
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010844771	0	35	-2.0	-119.82	317.07	4.91	-114.91
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010844771	1	36	-1.0	-61.91	321.21	4.20	-57.71
CCOC(=O)CC1(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844772	0	41	-1.0	-36.35	299.47	4.77	-31.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010844773	0	33	-1.0	-56.66	318.39	6.17	-50.49
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844774	0	43	-1.0	-65.09	370.17	4.69	-60.40
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010844775	0	47	-1.0	-45.45	379.37	7.43	-38.02
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844776	0	44	-1.0	-54.45	370.22	3.81	-50.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010844777	0	37	-1.0	-51.15	312.84	1.80	-49.35
COC(=O)C1(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CCCC1	REAL300010844778	0	44	-1.0	-59.19	342.93	6.90	-52.29
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010844779	0	31	-1.0	-52.14	305.76	4.85	-47.29
COCC1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844780	0	39	-1.0	-59.40	348.07	5.56	-53.84
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010844781	0	38	-1.0	-43.89	320.89	6.12	-37.77
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010844782	0	43	-1.0	-57.45	379.90	9.02	-48.43
COC(=O)CC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844783	0	41	-1.0	-57.25	346.09	6.14	-51.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010844784	0	34	-1.0	-69.75	304.09	5.04	-64.71
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC12CCC(CC1)C2	REAL300010844785	0	42	-1.0	-48.86	319.45	6.19	-42.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010844786	0	38	-1.0	-50.47	333.12	6.76	-43.71
COC(=O)C1(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CCC1	REAL300010844787	0	41	-1.0	-51.83	333.38	5.19	-46.64
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010844788	0	32	-1.0	-57.47	308.85	5.53	-51.94
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010844789	0	36	-1.0	-61.90	323.01	6.67	-55.23
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844790	0	45	-1.0	-66.45	386.12	5.70	-60.75
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844791	0	48	-1.0	-66.15	407.98	6.63	-59.52
COC(=O)C1(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CCCCC1	REAL300010844792	0	47	-1.0	-70.48	355.04	7.59	-62.89
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN=C1C	REAL300010844793	0	40	-1.0	-55.48	340.70	5.00	-50.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010844794	0	36	-1.0	-64.02	324.71	4.96	-59.06
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844795	0	41	-1.0	-57.26	369.65	7.43	-49.83
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010844796	0	33	-1.0	-40.42	296.48	5.14	-35.28
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1CCOCC1	REAL300010844797	0	42	-1.0	-46.13	327.80	4.09	-42.04
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CC1=CC(C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])S1	REAL300010844799	0	35	-1.0	-62.88	303.47	5.86	-57.02
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C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010844801	0	45	-1.0	-48.80	327.96	6.81	-41.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010844802	0	41	-1.0	-58.86	339.29	7.26	-51.60
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010844803	0	33	-1.0	-64.15	307.32	4.70	-59.45
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010844804	0	38	-1.0	-65.74	330.32	7.24	-58.50
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C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010844806	0	34	-1.0	-65.63	319.51	7.55	-58.08
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010844807	0	41	-1.0	-61.24	348.71	6.46	-54.78
CC1=CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010844808	0	40	-1.0	-61.01	352.74	6.73	-54.28
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1CCCCC1(F)F	REAL300010844809	0	41	-1.0	-59.71	325.81	6.90	-52.81
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010844810	0	42	-1.0	-49.43	349.92	5.56	-43.87
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010844811	0	59	-1.0	-46.87	409.77	10.19	-36.68
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010844812	0	37	-1.0	-65.65	324.56	7.07	-58.58
CCOC(=O)C1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844813	0	44	-1.0	-47.48	371.07	7.10	-40.38
COC(=O)C1=NC=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844814	0	37	-1.0	-77.71	318.29	5.03	-72.68
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844815	0	39	-1.0	-58.21	344.51	5.63	-52.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010844816	0	39	-1.0	-61.03	325.48	7.43	-53.60
COC1=CC=C2C=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])CCC2=C1	REAL300010844817	0	44	-1.0	-61.64	359.23	7.22	-54.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010844818	0	40	-1.0	-60.25	335.02	6.62	-53.63
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010844819	0	35	-1.0	-59.48	310.65	6.14	-53.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010844820	0	35	-1.0	-50.24	315.62	6.66	-43.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010844821	0	35	-1.0	-64.10	326.00	6.88	-57.22
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010844822	0	41	-1.0	-58.53	355.12	3.03	-55.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010844823	0	35	-1.0	-68.21	302.66	5.48	-62.73
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1CCCCC1	REAL300010844824	0	44	-1.0	-61.52	339.46	7.38	-54.14
CC1=CC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300010844825	0	41	-1.0	-62.33	343.56	8.27	-54.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010844826	0	29	-1.0	-47.67	269.61	4.00	-43.67
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844827	0	41	-1.0	-56.07	347.14	6.35	-49.72
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010844828	0	47	-1.0	-58.38	388.15	5.15	-53.23
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844829	0	45	-1.0	-57.37	362.53	4.95	-52.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010844830	0	35	-1.0	-55.12	313.21	6.00	-49.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010844831	0	38	-1.0	-67.29	323.77	7.38	-59.91
CCC1=CC(CC)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300010844832	0	50	-1.0	-47.31	350.88	8.25	-39.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010844833	0	37	-1.0	-56.97	305.64	4.56	-52.41
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010844834	0	39	-1.0	-69.75	332.26	5.09	-64.66
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010844835	0	34	-1.0	-44.23	317.89	4.61	-39.62
COC1=CC(OC)=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844836	0	40	-1.0	-63.22	346.69	4.91	-58.31
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010844837	0	40	-1.0	-52.17	341.13	3.18	-48.99
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010844838	0	37	-1.0	-53.11	324.06	-0.35	-53.46
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010844839	0	43	-1.0	-66.24	343.25	1.99	-64.25
COC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010844840	0	36	-1.0	-46.85	315.42	4.56	-42.29
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010844841	0	35	-1.0	-60.57	309.56	2.77	-57.80
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844842	0	45	-1.0	-69.93	372.93	6.45	-63.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010844843	0	37	-1.0	-68.53	310.39	5.07	-63.46
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010844844	0	41	-1.0	-47.80	331.40	7.41	-40.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010844845	0	36	-1.0	-58.24	317.63	5.32	-52.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010844846	0	36	-1.0	-58.23	327.95	5.79	-52.44
COC(=O)CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844847	0	41	-1.0	-48.92	352.28	6.18	-42.74
COC(CC1=CC=CC=C1)CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844848	0	45	-1.0	-64.77	364.57	6.88	-57.89
COC(CC(C)C)CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844849	0	44	-1.0	-64.01	344.69	5.22	-58.79
COC1=CC=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844850	0	36	-1.0	-63.00	306.46	5.22	-57.78
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010844851	0	35	-1.0	-47.98	329.13	6.59	-41.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC1CCOC1	REAL300010844852	0	42	-1.0	-46.48	332.82	4.15	-42.33
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010844853	0	35	-1.0	-61.16	332.52	7.28	-53.88
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010844854	0	35	-1.0	-49.08	309.46	3.80	-45.28
CCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010844855	0	40	-1.0	-56.96	328.86	6.45	-50.51
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844856	0	48	-1.0	-65.73	376.24	7.47	-58.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010844857	0	39	-1.0	-68.34	340.38	7.55	-60.79
COC1=NC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844858	0	35	-1.0	-53.88	317.70	2.89	-50.99
CCOC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010844859	0	41	-1.0	-60.81	354.49	6.89	-53.92
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844860	0	41	-1.0	-60.58	370.12	7.00	-53.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010844861	0	35	-1.0	-46.47	311.13	6.03	-40.44
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010844862	0	35	-1.0	-44.91	301.92	5.71	-39.20
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010844863	0	38	-1.0	-72.97	324.37	6.32	-66.65
CC1=CSC(C2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300010844864	0	41	-1.0	-47.59	352.72	6.06	-41.53
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1F	REAL300010844865	0	38	-1.0	-64.51	345.78	6.74	-57.77
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844866	0	41	-1.0	-64.43	351.16	6.89	-57.54
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844867	0	39	-1.0	-48.88	317.89	4.82	-44.06
CC1=C(Br)C=CC=C1CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844868	0	38	-1.0	-47.28	326.82	6.69	-40.59
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCC1CCOCC1	REAL300010844869	0	45	-1.0	-62.39	352.24	5.77	-56.62
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010844870	0	47	-1.0	-51.92	384.56	2.42	-49.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010844871	0	40	-1.0	-56.58	313.69	6.08	-50.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010844872	0	39	-1.0	-68.10	341.40	3.20	-64.90
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010844873	0	32	-1.0	-48.22	292.43	5.26	-42.96
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])SC(Br)=C1	REAL300010844874	0	32	-1.0	-58.85	303.26	5.79	-53.06
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010844875	0	41	-1.0	-60.76	331.96	6.07	-54.69
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844876	0	42	-1.0	-64.41	344.80	4.15	-60.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010844877	0	38	-1.0	-60.88	325.23	7.28	-53.60
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010844878	0	38	-1.0	-53.61	321.35	6.33	-47.28
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010844879	0	38	-1.0	-51.07	329.65	6.72	-44.35
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844880	0	36	-1.0	-58.20	327.04	5.81	-52.39
COC1=CC2=C(C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C(=O)NCCC2	REAL300010844881	0	47	-1.0	-72.18	376.09	4.23	-67.95
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])S2)C1	REAL300010844882	0	43	-1.0	-66.31	366.11	5.78	-60.53
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010844883	0	39	-1.0	-45.91	336.93	7.11	-38.80
COC1CCN(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1	REAL300010844884	0	41	-1.0	-59.29	326.15	3.70	-55.59
COC(CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C1CCOC1	REAL300010844885	0	43	-1.0	-49.71	337.74	2.75	-46.96
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010844886	0	35	-1.0	-61.20	322.18	6.84	-54.36
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010844887	0	35	-1.0	-62.14	318.96	6.72	-55.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010844888	0	32	-1.0	-55.35	314.31	6.46	-48.89
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844889	0	39	-1.0	-74.23	332.21	2.77	-71.46
CCCCCCCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844890	0	57	-1.0	-48.37	446.89	9.52	-38.85
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844891	0	47	-1.0	-54.33	376.43	6.94	-47.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010844892	0	32	-1.0	-48.08	296.85	5.36	-42.72
COC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844893	0	38	-1.0	-53.86	329.09	5.40	-48.46
COC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010844894	0	46	-1.0	-61.14	384.44	8.40	-52.74
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010844895	0	46	-1.0	-54.80	387.28	8.06	-46.74
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=NC=CC=C1Br	REAL300010844896	0	31	-1.0	-61.68	287.01	4.22	-57.46
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=C2)=N1	REAL300010844897	0	44	-1.0	-62.42	360.08	5.13	-57.29
COC(CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010844898	0	42	-1.0	-61.70	357.05	6.60	-55.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010844899	0	44	-1.0	-62.52	360.33	6.79	-55.73
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])N(C)N=C1	REAL300010844900	0	38	-1.0	-64.76	323.17	4.25	-60.51
COC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010844901	0	40	-1.0	-47.68	351.70	3.58	-44.10
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010844902	0	44	-1.0	-60.85	361.16	7.68	-53.17
COC(=O)NC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C	REAL300010844903	0	43	-1.0	-49.40	351.16	3.69	-45.71
CCOC(CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C1CC1	REAL300010844904	0	42	-1.0	-51.23	335.12	5.29	-45.94
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1F	REAL300010844905	0	38	-1.0	-64.36	335.45	6.29	-58.07
CC(=O)N1CCC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=C(Cl)C=C21	REAL300010844906	0	43	-1.0	-71.35	361.83	6.49	-64.86
CCC(C)OC1=CC=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844907	0	45	-1.0	-56.60	359.92	6.36	-50.24
COC(CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C1CCCC1	REAL300010844908	0	45	-1.0	-46.51	342.29	5.65	-40.86
COC(CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300010844909	0	48	-1.0	-51.14	362.20	5.82	-45.32
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010844910	0	35	-1.0	-58.40	316.00	4.84	-53.56
CCCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010844911	0	51	-1.0	-49.26	401.28	7.74	-41.52
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010844912	0	35	-1.0	-72.75	324.12	5.10	-67.65
COC1=CC(F)=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844913	0	36	-1.0	-61.00	306.46	5.20	-55.80
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010844914	0	40	-1.0	-56.20	332.92	7.54	-48.66
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010844915	0	39	-1.0	-57.02	318.85	5.44	-51.58
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010844916	0	45	-1.0	-62.21	380.69	7.47	-54.74
COC(=O)C1=C(C)C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])O1	REAL300010844917	0	38	-1.0	-46.37	330.19	4.21	-42.16
CCC1=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300010844918	0	45	-1.0	-64.10	370.55	7.13	-56.97
CC(=O)N1CC2=CC=C(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])C=C2C1	REAL300010844919	0	43	-1.0	-70.28	359.71	5.80	-64.48
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010844920	0	35	-1.0	-54.48	320.53	3.69	-50.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010844921	0	43	-1.0	-47.90	370.42	8.78	-39.12
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844922	0	35	-1.0	-55.12	310.91	6.26	-48.86
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010844923	0	42	-1.0	-68.51	336.04	8.31	-60.20
CC1=CC=C(Br)C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844924	0	38	-1.0	-63.91	337.20	7.43	-56.48
COC1=CC=CC(Br)=C1CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844925	0	39	-1.0	-65.77	343.91	6.14	-59.63
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010844926	0	38	-1.0	-51.84	326.52	6.35	-45.49
CC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(F)=C1F	REAL300010844927	0	35	-1.0	-66.17	304.56	5.99	-60.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010844928	0	31	-1.0	-61.07	294.52	3.89	-57.18
CC(C)OC1=CN=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C1	REAL300010844929	0	41	-1.0	-46.16	334.48	3.71	-42.45
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010844930	0	38	-1.0	-72.54	328.95	3.65	-68.89
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010844931	0	39	-1.0	-44.64	345.44	4.00	-40.64
COC(=O)C1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])OC=C1	REAL300010844932	0	35	-1.0	-64.62	306.55	4.71	-59.91
CCC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300010844933	0	45	-1.0	-60.31	353.17	6.82	-53.49
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010844934	0	38	-1.0	-43.27	337.76	6.47	-36.80
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844935	0	40	-1.0	-48.22	335.40	6.10	-42.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010844936	0	34	-1.0	-71.69	301.55	4.43	-67.26
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844937	0	35	-1.0	-55.36	320.03	6.67	-48.69
CC1=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010844938	0	41	-1.0	-50.02	314.43	7.60	-42.42
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010844939	0	39	-1.0	-55.29	335.69	5.00	-50.29
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CC=C1CC#N	REAL300010844940	0	36	-1.0	-71.20	309.67	6.41	-64.79
CC1=CC2=CC(S(=O)(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])=CC=C2NC1=O	REAL300010844941	0	41	-1.0	-61.47	347.76	5.08	-56.39
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010844942	0	37	-1.0	-46.15	313.55	3.15	-43.00
CC1=NC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010844943	0	41	-1.0	-68.50	359.40	6.76	-61.74
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010844944	0	32	-1.0	-46.52	281.41	1.79	-44.73
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010844945	0	37	-1.0	-58.25	322.05	6.49	-51.76
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010844946	0	38	-1.0	-50.71	317.47	5.89	-44.82
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010844947	0	44	0.0	-54.88	339.43	5.76	-49.12
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010844948	0	49	0.0	-85.24	375.38	4.93	-80.31
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCCN1CCN(C)CC1	REAL300010844948	1	48	-1.0	-46.73	369.52	1.64	-45.09
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010844949	0	32	-1.0	-57.17	294.97	3.17	-54.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010844950	0	32	-1.0	-55.56	299.14	3.55	-52.01
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844951	0	36	-1.0	-57.17	309.71	6.39	-50.78
CC(C)OC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=N1	REAL300010844952	0	41	-1.0	-58.06	345.44	3.88	-54.18
CCCCN1C=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C(C)=N1	REAL300010844953	0	44	-1.0	-47.83	353.24	5.34	-42.49
COC(=O)C1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C(OC)C=C1F	REAL300010844954	0	42	-1.0	-60.33	359.23	5.83	-54.50
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844955	0	42	-1.0	-76.33	351.99	6.21	-70.12
COC1=C(F)C=CC=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844956	0	36	-1.0	-54.25	303.35	5.24	-49.01
CCOC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300010844957	0	48	-1.0	-49.50	379.78	6.94	-42.56
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010844958	0	44	-1.0	-45.64	348.05	6.96	-38.68
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010844959	0	33	-1.0	-56.49	303.51	5.80	-50.69
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010844960	0	35	-1.0	-47.93	314.24	6.04	-41.89
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010844961	0	51	-1.0	-49.42	396.26	9.32	-40.10
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010844962	0	36	-1.0	-68.10	306.25	5.18	-62.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Br)NC=N1	REAL300010844963	0	29	-1.0	-65.89	273.84	3.68	-62.21
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010844964	0	40	-1.0	-48.90	339.28	5.66	-43.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010844965	0	31	-1.0	-56.45	294.94	4.11	-52.34
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010844966	0	31	-1.0	-61.08	289.91	3.82	-57.26
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010844967	0	31	-1.0	-61.23	279.46	3.33	-57.90
COC1=NC=C(Br)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844968	0	35	-1.0	-59.08	319.14	3.12	-55.96
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010844969	0	37	-1.0	-60.10	331.80	6.18	-53.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010844970	0	34	-1.0	-54.44	316.02	5.20	-49.24
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010844971	0	42	-1.0	-66.48	365.27	5.98	-60.50
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N=S1(=O)CCCC1	REAL300010844972	0	36	-1.0	-62.89	305.34	2.22	-60.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010844973	0	35	-1.0	-48.49	308.78	5.51	-42.98
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010844974	0	31	-1.0	-52.74	298.89	3.15	-49.59
CCS(=O)(CC)=NS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844975	0	38	-1.0	-76.62	318.87	3.22	-73.40
CC1=CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010844976	0	34	-1.0	-75.10	312.48	6.43	-68.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010844977	0	40	-1.0	-64.95	326.65	4.77	-60.18
CCN1CC(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CC1=O	REAL300010844978	0	39	-1.0	-64.21	320.51	4.15	-60.06
CCOC(=O)C1(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])CCC1	REAL300010844979	0	41	-1.0	-60.36	331.58	6.57	-53.79
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010844980	0	43	-1.0	-49.60	355.67	1.42	-48.18
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010844981	0	33	-1.0	-50.60	315.51	3.87	-46.73
COC(=O)C1=CC=C(CS(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844982	0	41	-1.0	-66.39	352.94	7.04	-59.35
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010844983	0	35	-1.0	-49.65	313.32	5.80	-43.85
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010844984	0	35	-1.0	-57.86	296.82	3.86	-54.00
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010844985	0	42	-1.0	-57.31	335.41	5.47	-51.84
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CSC=C1Br	REAL300010844986	0	29	-1.0	-60.56	278.84	4.51	-56.05
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010844987	0	44	-1.0	-64.91	348.64	5.59	-59.32
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010844988	0	42	-1.0	-48.51	338.71	4.98	-43.53
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010844989	0	35	-1.0	-57.72	302.79	3.97	-53.75
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CN(C)N=C1Br	REAL300010844990	0	32	-1.0	-62.01	295.35	3.34	-58.67
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010844991	0	34	-1.0	-60.97	309.21	4.74	-56.23
COC1=CC=C(F)C=C1CS(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844992	0	39	-1.0	-53.09	328.97	4.95	-48.14
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010844993	0	46	-1.0	-60.56	380.36	6.86	-53.70
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010844994	0	32	-2.0	-121.14	284.46	3.97	-117.17
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010844994	1	33	-1.0	-61.28	286.61	3.55	-57.73
C=CCCC1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1	REAL300010844995	0	42	-1.0	-60.95	353.47	8.11	-52.84
COC(=O)C1=CNN=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844996	0	35	-1.0	-70.16	305.54	2.92	-67.24
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844997	0	35	-1.0	-55.25	320.04	6.67	-48.58
CCC1=NN(C)C=C1S(=O)(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-]	REAL300010844998	0	38	-1.0	-61.26	315.40	3.99	-57.27
CC(=O)C1=CC=C(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])C=C1F	REAL300010844999	0	37	-1.0	-59.73	314.78	5.18	-54.55
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010845000	0	41	-1.0	-72.25	338.39	3.09	-69.16
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1F	REAL300010847766	0	39	-1.0	-43.83	327.05	5.72	-38.11
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010847767	0	39	-1.0	-58.14	350.87	6.54	-51.60
COC(=O)C1CCCCC1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847768	0	44	-1.0	-62.32	356.10	7.58	-54.74
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847769	0	47	-1.0	-49.06	374.60	6.86	-42.20
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847770	0	40	-1.0	-61.56	357.64	8.20	-53.36
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847771	0	39	-1.0	-50.50	342.40	4.87	-45.63
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847772	0	40	-1.0	-52.89	343.21	7.86	-45.03
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010847773	0	37	-1.0	-47.53	340.17	6.56	-40.97
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(I)C=C1	REAL300010847774	0	32	-1.0	-41.07	313.84	7.10	-33.97
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010847775	0	34	-1.0	-70.65	304.52	7.64	-63.01
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)O1	REAL300010847776	0	29	-1.0	-51.48	291.76	4.77	-46.71
N#CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCCCC1	REAL300010847777	0	42	-1.0	-41.07	339.56	6.86	-34.21
CC1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCCCC1	REAL300010847778	0	44	-1.0	-42.63	334.38	7.47	-35.16
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010847779	0	34	-1.0	-57.22	314.57	6.67	-50.55
COC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847780	0	36	-1.0	-43.38	336.87	5.91	-37.47
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1C	REAL300010847781	0	42	-1.0	-55.38	370.42	7.08	-48.30
O=C([O-])CN(CC1CC1)S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010847782	0	45	-1.0	-65.33	398.96	7.14	-58.19
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C12	REAL300010847783	0	39	-1.0	-51.75	347.64	3.72	-48.03
CCC1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847784	0	34	-1.0	-44.58	316.29	4.57	-40.01
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010847785	0	44	-1.0	-55.63	370.61	7.43	-48.20
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010847786	0	32	-1.0	-57.68	294.96	6.54	-51.14
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(Cl)=N1	REAL300010847787	0	34	-1.0	-54.85	309.81	5.02	-49.83
COC1=CC(C#N)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847788	0	37	-1.0	-41.50	325.60	6.76	-34.74
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010847789	0	39	-1.0	-47.24	346.61	7.64	-39.60
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847790	0	36	-1.0	-46.00	341.32	7.47	-38.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847791	0	34	-1.0	-50.85	321.51	6.07	-44.78
CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847792	0	42	-1.0	-46.47	366.97	2.56	-43.91
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN=C1Cl	REAL300010847793	0	35	-1.0	-43.80	326.96	3.94	-39.86
CC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847794	0	37	-1.0	-56.39	326.97	6.40	-49.99
CCN1C(=O)OC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C21	REAL300010847795	0	41	-1.0	-57.63	362.26	6.97	-50.66
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010847796	0	47	-1.0	-42.76	399.86	6.43	-36.33
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010847797	0	31	-1.0	-45.33	307.40	5.76	-39.57
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847798	0	50	0.0	-71.07	398.29	7.05	-64.02
CCC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847799	0	41	-1.0	-44.19	351.19	8.13	-36.06
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847800	0	38	-1.0	-57.19	337.85	7.48	-49.71
CC1=CC(Br)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847801	0	35	-1.0	-50.02	315.68	7.05	-42.97
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010847802	0	36	-1.0	-67.05	324.02	6.01	-61.04
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010847803	0	32	-1.0	-45.23	304.28	6.48	-38.75
COC1=CC=CC(OC)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847804	0	40	-1.0	-51.41	339.43	6.49	-44.92
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1C	REAL300010847805	0	59	-1.0	-48.57	469.35	10.41	-38.16
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010847806	0	41	-1.0	-46.77	341.33	7.30	-39.47
CC1=CC=CC(F)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847807	0	35	-1.0	-54.20	296.63	6.47	-47.73
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847808	0	46	-1.0	-60.95	404.65	7.19	-53.76
N#CC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847809	0	33	-1.0	-41.77	308.03	6.38	-35.39
CC1=NC(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=CS1	REAL300010847810	0	34	-1.0	-58.84	315.84	4.38	-54.46
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010847811	0	35	-1.0	-51.20	330.40	5.06	-46.14
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010847812	0	38	-1.0	-52.72	353.52	8.88	-43.84
COC(=O)CCCCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847813	0	43	-1.0	-44.71	368.36	6.82	-37.89
CN1N=CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CN=C21	REAL300010847814	0	37	-1.0	-47.74	330.45	5.11	-42.63
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847815	0	40	-1.0	-46.80	353.24	4.20	-42.60
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010847817	0	35	-1.0	-38.85	341.87	7.51	-31.34
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847818	0	43	-1.0	-55.31	363.45	3.95	-51.36
COC1=C(F)C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847819	0	38	-1.0	-43.85	349.54	6.81	-37.04
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847820	0	42	-1.0	-43.34	377.05	5.31	-38.03
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010847821	0	43	-1.0	-60.99	385.02	7.81	-53.18
COC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847822	0	42	-1.0	-56.74	362.13	6.85	-49.89
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010847823	0	35	-1.0	-47.94	325.53	4.86	-43.08
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010847824	0	43	-1.0	-44.27	365.71	7.32	-36.95
CC1=CC=NC2=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=CC=C12	REAL300010847825	0	40	-1.0	-65.38	339.55	7.65	-57.73
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010847826	0	35	-1.0	-45.89	320.30	6.93	-38.96
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010847827	0	35	-1.0	-52.38	326.42	6.94	-45.44
CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847828	0	35	-1.0	-44.26	328.78	7.27	-36.99
CSC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847829	0	36	-1.0	-47.01	309.42	6.44	-40.57
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847830	0	43	-1.0	-74.90	369.41	5.73	-69.17
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010847831	0	44	-1.0	-64.33	376.93	5.46	-58.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010847832	0	40	-1.0	-50.62	355.97	7.28	-43.34
COC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847833	0	42	-1.0	-43.34	377.05	5.31	-38.03
CN(C)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847834	0	40	-1.0	-55.15	333.87	6.25	-48.90
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010847835	0	35	-1.0	-57.36	333.72	7.34	-50.02
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(OC)=C1	REAL300010847836	0	42	-1.0	-45.77	359.54	7.02	-38.75
COC(=O)C1=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=CS1	REAL300010847837	0	38	-1.0	-63.27	327.74	6.48	-56.79
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1F	REAL300010847838	0	36	-1.0	-43.26	321.83	5.36	-37.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847839	0	43	-1.0	-60.68	372.69	6.15	-54.53
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847840	0	46	-1.0	-60.45	398.89	7.39	-53.06
CC(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847841	0	41	-1.0	-58.13	339.63	8.05	-50.08
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010847842	0	46	-1.0	-58.73	397.63	9.42	-49.31
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847843	0	40	-1.0	-62.58	357.39	8.21	-54.37
C[NH+](C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847844	0	44	0.0	-63.34	364.50	7.90	-55.44
CN(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847845	0	40	-1.0	-56.55	334.70	6.11	-50.44
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C2O1	REAL300010847846	0	47	-1.0	-43.73	409.77	8.66	-35.07
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1=CC=CS1	REAL300010847847	0	35	-1.0	-42.03	320.03	6.57	-35.46
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847848	0	44	-1.0	-57.86	375.88	8.25	-49.61
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010847849	0	32	-1.0	-44.91	309.30	6.53	-38.38
CC1=C(Cl)SC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847850	0	32	-1.0	-51.66	311.21	5.92	-45.74
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010847851	0	38	-1.0	-54.67	332.95	6.54	-48.13
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847852	0	36	-1.0	-50.06	312.46	5.17	-44.89
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1[N+](=O)[O-]	REAL300010847853	0	40	-1.0	-67.37	332.55	8.48	-58.89
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010847854	0	38	-1.0	-46.82	347.04	7.78	-39.04
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1[N+](=O)[O-]	REAL300010847855	0	42	-1.0	-40.32	367.14	8.71	-31.61
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847856	0	35	-1.0	-39.79	322.03	7.12	-32.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010847857	0	37	-1.0	-52.82	327.78	6.36	-46.46
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847858	0	38	-1.0	-61.34	332.74	7.12	-54.22
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1[N+](=O)[O-]	REAL300010847859	0	40	-1.0	-54.95	340.36	7.69	-47.26
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010847860	0	32	-1.0	-52.65	307.95	6.63	-46.02
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(C)=C1[N+](=O)[O-]	REAL300010847861	0	42	-1.0	-40.32	367.14	8.71	-31.61
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010847862	0	31	-1.0	-39.32	303.84	4.67	-34.65
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010847863	0	32	-1.0	-50.32	322.49	7.08	-43.24
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010847864	0	43	-1.0	-51.00	375.99	5.56	-45.44
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010847865	0	32	-1.0	-51.96	302.99	6.26	-45.70
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847866	0	42	-1.0	-58.05	337.17	7.46	-50.59
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847867	0	35	-1.0	-44.48	313.26	2.67	-41.81
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C#N	REAL300010847868	0	36	-1.0	-51.56	326.29	6.90	-44.66
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847869	0	38	-1.0	-47.75	345.42	6.68	-41.07
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847870	0	36	-1.0	-56.17	326.62	6.43	-49.74
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010847871	0	33	-1.0	-54.36	314.40	4.78	-49.58
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010847872	0	45	-1.0	-42.82	373.29	9.26	-33.56
CC(C)(C)C1=CC(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=NO1	REAL300010847873	0	43	-1.0	-47.59	366.42	6.71	-40.88
O=C([O-])CN(CC1CC1)C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010847874	0	49	-1.0	-46.39	372.62	11.77	-34.62
CN(C)C1=CC=CC2=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=CC=C12	REAL300010847875	0	46	-1.0	-58.25	379.54	8.21	-50.04
COC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847876	0	39	-1.0	-56.77	328.77	5.97	-50.80
COC(=O)C1=CN=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847877	0	37	-1.0	-51.45	336.37	4.85	-46.60
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Br	REAL300010847878	0	33	-1.0	-41.60	326.60	6.89	-34.71
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010847879	0	34	-1.0	-36.40	327.85	7.02	-29.38
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Cl	REAL300010847880	0	39	-1.0	-44.05	340.17	6.30	-37.75
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847881	0	38	-1.0	-50.01	361.66	6.73	-43.28
CN(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847882	0	39	-1.0	-45.67	335.79	5.71	-39.96
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1OC	REAL300010847883	0	40	-1.0	-44.88	345.94	5.18	-39.70
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010847884	0	36	-1.0	-46.08	331.58	5.64	-40.44
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010847885	0	35	-1.0	-47.77	330.67	7.06	-40.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C	REAL300010847886	0	43	-1.0	-44.77	377.47	3.09	-41.68
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=CC=C2S1	REAL300010847887	0	44	-1.0	-54.50	400.89	9.04	-45.46
N#CCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847888	0	36	-1.0	-62.35	328.59	7.16	-55.19
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010847889	0	38	-1.0	-60.35	340.50	5.29	-55.06
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=N1	REAL300010847890	0	37	-1.0	-46.05	342.90	1.61	-44.44
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(F)=C1	REAL300010847891	0	38	-1.0	-49.92	337.69	6.53	-43.39
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847892	0	40	-1.0	-48.49	350.29	7.27	-41.22
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C(Br)=C1	REAL300010847893	0	36	-1.0	-46.04	318.69	5.35	-40.69
CC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1)OCO2	REAL300010847894	0	38	-1.0	-47.10	320.78	5.13	-41.97
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847895	0	38	-1.0	-55.10	333.18	7.15	-47.95
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010847896	0	32	-1.0	-42.67	303.60	6.48	-36.19
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847897	0	38	-1.0	-41.11	314.42	7.44	-33.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010847898	0	32	-1.0	-41.17	305.72	6.58	-34.59
COC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1)OCC(=O)N2	REAL300010847899	0	42	-1.0	-57.54	360.54	3.13	-54.41
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010847900	0	34	-1.0	-48.71	326.56	6.86	-41.85
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847901	0	30	-1.0	-40.66	298.81	5.55	-35.11
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010847902	0	34	-1.0	-46.64	322.83	6.74	-39.90
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010847903	0	32	-1.0	-49.83	313.46	7.29	-42.54
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010847904	0	33	-1.0	-61.13	308.25	4.51	-56.62
COC1=CN=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847905	0	35	-1.0	-52.10	311.03	3.47	-48.63
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010847906	0	32	-1.0	-56.81	308.27	6.54	-50.27
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1OC	REAL300010847907	0	42	-1.0	-47.22	368.17	6.71	-40.51
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010847908	0	32	-1.0	-41.94	305.95	6.56	-35.38
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010847909	0	35	-1.0	-43.89	325.03	7.20	-36.69
CC(=O)NC1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847910	0	35	-1.0	-57.57	332.35	3.52	-54.05
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847910	1	34	-2.0	-95.66	329.06	2.40	-93.26
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010847911	0	35	-1.0	-43.85	329.60	7.31	-36.54
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847912	0	36	-1.0	-45.87	337.32	3.27	-42.60
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847913	0	41	-1.0	-69.31	350.39	8.32	-60.99
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847914	0	40	-1.0	-62.74	345.68	3.99	-58.75
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847915	0	36	-1.0	-45.69	341.88	3.37	-42.32
CCOC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847916	0	39	-1.0	-44.77	337.48	6.22	-38.55
CC1(C)CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC3CC3)=C2O1	REAL300010847917	0	43	-1.0	-49.27	360.09	7.34	-41.93
N#CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C(F)(F)F	REAL300010847918	0	36	-1.0	-37.25	342.78	7.18	-30.07
COCCN(CCC#N)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847919	0	41	-1.0	-52.79	350.75	4.43	-48.36
CC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847920	0	41	-1.0	-55.89	354.03	8.23	-47.66
COC1=CC=C(Br)C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847921	0	39	-1.0	-58.59	352.20	6.27	-52.32
N#CC1CN(S(=O)(=O)N(CC(=O)[O-])CC2CC2)CCO1	REAL300010847922	0	36	-1.0	-51.69	315.49	3.20	-48.49
CCN(CC(C)C#N)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847923	0	40	-1.0	-54.84	330.70	5.97	-48.87
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010847924	0	35	-1.0	-45.27	299.48	4.82	-40.45
N#CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847925	0	33	-1.0	-50.22	308.81	6.28	-43.94
N#CC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847926	0	33	-1.0	-44.50	310.41	6.40	-38.10
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847927	0	38	-1.0	-51.82	328.97	7.15	-44.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010847928	0	38	-1.0	-59.67	341.13	7.28	-52.39
COCCOCCOCCS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847929	0	46	-1.0	-48.50	393.04	3.29	-45.21
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847930	0	42	-1.0	-48.91	365.03	3.85	-45.06
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010847931	0	32	-1.0	-54.48	300.95	6.43	-48.05
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC3CC3)C=C2CC1	REAL300010847932	0	49	-1.0	-53.74	399.21	7.95	-45.79
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(F)(F)F	REAL300010847933	0	41	-1.0	-47.31	371.05	7.46	-39.85
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1OC	REAL300010847934	0	42	-1.0	-52.64	376.08	7.62	-45.02
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847935	0	41	-1.0	-45.82	351.59	8.19	-37.63
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847936	0	41	-1.0	-45.44	347.41	7.90	-37.54
CN(C(=O)N(CC(=O)[O-])CC1CC1)C1CCS(=O)(=O)C1	REAL300010847937	0	39	-1.0	-50.39	313.56	3.95	-46.44
CNC(=O)C1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847938	0	42	-1.0	-45.92	364.78	4.97	-40.95
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010847939	0	32	-1.0	-53.47	298.82	6.20	-47.27
O=C([O-])CN(CC1CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010847940	0	45	-1.0	-42.88	385.34	7.53	-35.35
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(F)C=C1Cl	REAL300010847941	0	41	-1.0	-41.61	376.07	7.88	-33.73
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010847942	0	34	-1.0	-51.75	323.05	7.30	-44.45
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010847943	0	41	-1.0	-66.14	348.50	3.21	-62.93
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847944	0	40	-1.0	-44.58	340.60	6.92	-37.66
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1OC	REAL300010847945	0	43	-1.0	-57.62	377.70	5.79	-51.83
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(F)C=C1C	REAL300010847946	0	44	-1.0	-44.34	379.58	8.02	-36.32
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847947	0	46	-1.0	-59.79	397.92	4.20	-55.59
COCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847948	0	43	-1.0	-51.71	364.26	5.60	-46.11
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847949	0	45	-1.0	-60.27	386.41	7.49	-52.78
CCOC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C	REAL300010847950	0	44	-1.0	-52.08	379.04	8.11	-43.97
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010847951	0	35	-1.0	-45.12	316.55	7.19	-37.93
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847952	0	44	-1.0	-60.46	385.16	8.36	-52.10
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847953	0	38	-1.0	-55.84	358.69	8.50	-47.34
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010847954	0	35	-1.0	-54.42	327.46	7.72	-46.70
CC(COC1CCCC1)CS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847955	0	48	-1.0	-41.33	385.12	7.36	-33.97
CC1=C(CCS(=O)(=O)N(CC(=O)[O-])CC2CC2)SC=N1	REAL300010847956	0	37	-1.0	-43.65	333.78	5.21	-38.44
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010847957	0	38	-1.0	-43.55	346.53	7.98	-35.57
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847958	0	41	-1.0	-58.60	358.68	7.26	-51.34
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010847959	0	42	-1.0	-57.43	360.54	9.41	-48.02
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847960	0	46	-1.0	-55.21	405.67	3.79	-51.42
O=C([O-])CN(CC1CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300010847961	0	35	-1.0	-56.76	322.83	6.96	-49.80
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN1C	REAL300010847962	0	44	-1.0	-53.96	389.40	7.27	-46.69
CS(=O)(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1Cl	REAL300010847963	0	38	-1.0	-48.05	356.62	3.93	-44.12
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010847964	0	36	-1.0	-58.10	329.16	6.74	-51.36
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010847965	0	35	-1.0	-54.97	320.68	6.93	-48.04
CC1=NC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847966	0	34	-1.0	-42.18	302.28	4.67	-37.51
CC1=NC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C(Br)N1C	REAL300010847967	0	35	-1.0	-48.36	326.92	5.42	-42.94
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010847968	0	33	-1.0	-49.59	309.81	4.86	-44.73
COC(=O)C(C)(C)CS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847969	0	40	-1.0	-46.55	333.47	5.89	-40.66
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847970	0	45	-1.0	-61.68	378.49	6.84	-54.84
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010847971	0	35	-2.0	-112.92	320.50	6.30	-106.62
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010847971	1	36	-1.0	-52.28	330.06	4.81	-47.47
CCOC(=O)CC1(S(=O)(=O)N(CC(=O)[O-])CC2CC2)CC1	REAL300010847972	0	41	-1.0	-63.94	341.46	7.04	-56.90
N#CC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1Br	REAL300010847973	0	33	-1.0	-49.43	322.59	6.59	-42.84
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847974	0	43	-1.0	-50.86	376.02	5.88	-44.98
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1C(=O)OC(C)C	REAL300010847975	0	47	-1.0	-43.23	399.05	8.82	-34.41
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1	REAL300010847976	0	44	-1.0	-51.83	389.73	5.21	-46.62
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010847977	0	37	-1.0	-42.68	332.54	3.20	-39.48
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCCC1	REAL300010847978	0	44	-1.0	-44.89	358.28	7.04	-37.85
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010847979	0	31	-1.0	-39.84	317.42	5.17	-34.67
COCC1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847980	0	39	-1.0	-44.15	357.87	6.22	-37.93
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CC=C1C(F)(F)F	REAL300010847981	0	38	-1.0	-41.19	340.54	7.51	-33.68
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010847982	0	43	-1.0	-51.60	391.92	9.36	-42.24
COC(=O)CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847983	0	41	-1.0	-60.78	363.31	7.44	-53.34
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010847984	0	34	-1.0	-49.83	313.57	5.77	-44.06
O=C([O-])CN(CC1CC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300010847985	0	42	-1.0	-58.68	330.81	7.07	-51.61
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010847986	0	38	-1.0	-42.85	345.89	7.91	-34.94
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCC1	REAL300010847987	0	41	-1.0	-65.09	349.82	6.42	-58.67
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010847988	0	32	-1.0	-38.31	318.82	6.19	-32.12
N#CC1=CC(F)=CC=C1CS(=O)(=O)N(CC(=O)[O-])CC1CC1	REAL300010847989	0	36	-1.0	-62.96	330.80	6.71	-56.25
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847990	0	45	-1.0	-51.34	395.92	6.35	-44.99
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847991	0	48	-1.0	-51.32	417.78	7.28	-44.04
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])CC2CC2)CCCCC1	REAL300010847992	0	47	-1.0	-65.54	373.83	7.81	-57.73
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=CN=C1C	REAL300010847993	0	40	-1.0	-42.84	352.36	5.33	-37.51
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010847994	0	36	-1.0	-51.53	327.89	5.48	-46.05
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC2CC2)=C1	REAL300010847995	0	41	-1.0	-46.43	379.44	8.08	-38.35
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)C=C1F	REAL300010847996	0	33	-1.0	-42.53	312.81	6.43	-36.10
O=C([O-])CN(CC1CC1)S(=O)(=O)CCC1CCOCC1	REAL300010847997	0	42	-1.0	-41.62	341.74	5.25	-36.37
O=C([O-])CN(CC1CC1)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010847998	0	48	-1.0	-51.08	417.64	7.84	-43.24
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC2CC2)S1	REAL300010847999	0	35	-1.0	-54.87	318.83	6.58	-48.29
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010848000	0	34	-1.0	-50.37	328.71	5.51	-44.86
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300010849030	0	35	-1.0	-47.64	302.63	3.11	-44.53
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010849031	0	35	-1.0	-51.79	318.13	3.42	-48.37
COC(=O)C1CCCCC1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849032	0	40	-1.0	-53.16	323.33	4.46	-48.70
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849033	0	43	-1.0	-49.19	352.10	4.31	-44.88
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849034	0	36	-1.0	-46.40	326.03	5.04	-41.36
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849035	0	35	-1.0	-50.82	310.10	1.75	-49.07
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849036	0	36	-1.0	-45.93	313.46	4.97	-40.96
CC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010849037	0	33	-1.0	-47.97	305.38	3.41	-44.56
CC(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010849038	0	28	-1.0	-44.25	281.52	3.97	-40.28
CC(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849039	0	25	-1.0	-47.32	258.13	1.60	-45.72
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849039	1	24	-2.0	-107.29	256.31	1.22	-106.07
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849040	0	32	-1.0	-46.16	304.55	2.79	-43.37
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1C	REAL300010849041	0	38	-1.0	-49.20	336.49	3.90	-45.30
CC(CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010849042	0	41	-1.0	-55.31	366.23	3.97	-51.34
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300010849043	0	35	-1.0	-50.29	314.99	0.59	-49.70
CC(CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010849044	0	40	-1.0	-49.91	338.64	4.34	-45.57
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010849045	0	35	-1.0	-48.34	310.71	4.57	-43.77
CSC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849046	0	32	-1.0	-46.14	309.47	4.37	-41.77
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849047	0	30	-1.0	-44.44	293.92	3.26	-41.18
CC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010849048	0	38	-1.0	-56.03	336.76	-0.55	-56.58
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN=C1Cl	REAL300010849049	0	31	-1.0	-44.74	294.28	0.84	-43.90
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C21	REAL300010849050	0	37	-1.0	-53.42	330.56	3.85	-49.57
CC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010849051	0	43	-1.0	-52.32	367.20	3.32	-49.00
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849052	0	46	0.0	-76.34	371.08	4.08	-72.26
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849053	0	31	-1.0	-44.80	289.80	4.39	-40.41
CC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010849054	0	32	-1.0	-53.12	292.67	2.96	-50.16
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849055	0	34	-1.0	-46.62	331.57	4.33	-42.29
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849055	1	33	-2.0	-110.79	329.71	3.96	-106.83
CC(CNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849056	0	28	-1.0	-43.01	291.22	4.01	-39.00
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849056	1	27	-2.0	-105.26	302.87	4.19	-101.07
CC(CNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010849057	0	28	-1.0	-47.57	274.20	3.26	-44.31
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849058	0	36	-1.0	-53.82	308.25	3.41	-50.41
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300010849059	0	55	-1.0	-49.05	441.95	7.50	-41.55
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010849060	0	37	-1.0	-49.19	316.31	4.32	-44.87
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849061	0	42	-1.0	-51.27	364.70	3.95	-47.32
CC(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010849062	0	29	-1.0	-47.90	276.71	3.35	-44.55
CC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010849063	0	31	-1.0	-49.62	297.71	1.92	-47.70
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010849064	0	43	-1.0	-59.99	360.14	3.98	-56.01
CC(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010849065	0	34	-1.0	-47.74	321.46	5.78	-41.96
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])S1	REAL300010849066	0	30	-2.0	-106.17	321.00	2.88	-103.29
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849066	1	31	-1.0	-45.14	318.13	3.09	-42.05
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849067	0	36	-1.0	-48.58	321.80	1.10	-47.48
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849069	0	31	-1.0	-43.09	309.22	4.38	-38.71
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849070	0	39	-1.0	-49.76	320.88	0.89	-48.87
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849071	0	33	-1.0	-50.61	313.32	4.92	-45.69
COC1=C(F)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010849072	0	34	-1.0	-44.81	317.23	3.70	-41.11
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010849073	0	38	-1.0	-50.63	344.15	2.24	-48.39
CC(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010849074	0	39	-1.0	-53.05	352.35	4.70	-48.35
COC1=CC=C(CCS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849075	0	38	-1.0	-47.94	328.51	3.67	-44.27
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010849076	0	46	-1.0	-51.17	395.37	5.43	-45.74
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010849077	0	43	-1.0	-51.47	376.25	4.18	-47.29
CC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010849078	0	39	-1.0	-48.87	335.78	4.21	-44.66
CC1=CC=NC2=C(S(=O)(=O)NCC(C)C(=O)[O-])C=CC=C12	REAL300010849079	0	36	-1.0	-55.66	303.64	4.54	-51.12
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010849080	0	36	-1.0	-45.97	323.83	2.67	-43.30
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010849081	0	31	-1.0	-47.30	290.76	3.63	-43.67
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849082	0	31	-1.0	-46.68	297.34	4.17	-42.51
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300010849083	0	35	-1.0	-52.24	328.26	2.56	-49.68
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010849084	0	39	-1.0	-58.73	334.70	2.85	-55.88
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010849085	0	40	-1.0	-58.14	341.52	1.96	-56.18
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849086	0	34	-1.0	-47.41	335.09	1.01	-46.40
CC(CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010849087	0	28	-1.0	-47.28	289.68	3.98	-43.30
CC(C[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010849087	1	27	-2.0	-106.61	301.33	4.15	-102.46
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010849088	0	36	-1.0	-48.89	322.89	4.14	-44.75
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010849089	0	38	-1.0	-50.63	344.15	2.24	-48.39
CC(CNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010849090	0	31	-1.0	-47.78	300.98	4.16	-43.62
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300010849091	0	38	-1.0	-48.26	328.96	3.36	-44.90
COC(=O)C1=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=CS1	REAL300010849092	0	34	-1.0	-49.22	309.44	4.14	-45.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849093	0	39	-1.0	-52.79	343.30	2.96	-49.83
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849094	0	42	-1.0	-51.75	371.37	4.16	-47.59
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010849095	0	42	-1.0	-45.77	353.62	6.06	-39.71
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849096	0	36	-1.0	-52.19	325.30	5.03	-47.16
CC(CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010849097	0	28	-1.0	-45.34	287.82	3.71	-41.63
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010849097	1	27	-2.0	-107.43	295.24	3.68	-103.75
CC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010849098	0	40	0.0	-71.76	333.00	4.79	-66.97
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C2O1	REAL300010849099	0	43	-1.0	-47.23	378.34	5.56	-41.67
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849100	0	40	-1.0	-54.27	345.52	5.38	-48.89
CC(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010849101	0	28	-1.0	-48.44	277.14	3.49	-44.95
CC(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010849101	1	27	-2.0	-106.41	287.97	3.65	-102.76
CC1=CC=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010849102	0	36	-1.0	-50.22	309.62	5.85	-44.37
CC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010849103	0	34	-1.0	-47.47	315.65	4.68	-42.79
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010849104	0	38	-1.0	-44.69	339.55	5.87	-38.82
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849105	0	31	-1.0	-46.80	296.02	4.48	-42.32
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010849106	0	36	-1.0	-52.90	312.89	5.00	-47.90
CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010849107	0	28	-1.0	-46.59	285.53	4.09	-42.50
CC(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849108	0	30	-1.0	-44.51	298.75	5.06	-39.45
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849108	1	29	-2.0	-111.24	298.34	4.78	-106.46
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010849109	0	38	-1.0	-44.69	339.55	5.87	-38.82
CC(CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010849110	0	28	-1.0	-43.72	289.58	3.96	-39.76
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010849111	0	39	-1.0	-47.68	351.16	2.71	-44.97
CC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010849112	0	27	-2.0	-111.36	274.71	2.95	-108.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849113	0	38	-1.0	-48.59	313.60	4.45	-44.14
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849114	0	34	-1.0	-47.71	313.58	3.59	-44.12
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849115	0	32	-1.0	-46.72	291.51	3.26	-43.46
CC(CNS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849116	0	29	-1.0	-45.82	280.94	1.65	-44.17
CC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010849117	0	41	-1.0	-49.48	343.01	6.20	-43.28
CC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010849118	0	39	-1.0	-49.23	335.32	3.60	-45.63
CC(CNC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010849119	0	45	-1.0	-51.75	350.07	9.05	-42.70
CC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010849120	0	42	-1.0	-49.06	347.85	5.09	-43.97
COC(=O)C1=CN=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849121	0	33	-1.0	-48.06	304.21	1.75	-46.31
CC(CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010849122	0	29	-1.0	-45.26	294.76	3.80	-41.46
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849123	0	30	-1.0	-42.17	295.81	3.98	-38.19
CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849123	1	29	-2.0	-103.28	307.42	4.16	-99.12
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849124	0	35	-1.0	-49.56	313.70	3.65	-45.91
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849125	0	34	-1.0	-44.12	327.70	3.52	-40.60
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300010849126	0	36	-1.0	-47.85	313.78	2.14	-45.71
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010849127	0	32	-1.0	-48.34	299.74	2.55	-45.79
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010849128	0	31	-1.0	-47.54	298.59	3.96	-43.58
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300010849129	0	39	-1.0	-52.92	345.31	-0.16	-53.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C2S1	REAL300010849130	0	40	-1.0	-49.23	368.39	5.91	-43.32
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010849131	0	34	-1.0	-53.60	305.52	2.30	-51.30
CC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010849132	0	33	-1.0	-57.36	310.52	-1.52	-58.88
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849133	0	34	-1.0	-51.54	306.73	3.29	-48.25
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849134	0	36	-1.0	-52.20	318.12	4.21	-47.99
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(Br)=C1	REAL300010849135	0	32	-1.0	-46.22	300.63	2.93	-43.29
CC1=CC2=C(C=C1S(=O)(=O)NCC(C)C(=O)[O-])OCO2	REAL300010849136	0	34	-1.0	-48.45	295.33	2.46	-45.99
CC(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010849137	0	34	-1.0	-45.64	320.73	4.02	-41.62
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849138	0	34	-1.0	-55.20	295.57	3.99	-51.21
CC(CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849139	0	28	-1.0	-45.42	272.15	3.44	-41.98
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010849140	0	28	-1.0	-46.12	287.41	4.17	-41.95
COC1=CC2=C(C=C1S(=O)(=O)NCC(C)C(=O)[O-])OCC(=O)N2	REAL300010849141	0	38	-1.0	-49.26	325.44	-0.04	-49.30
CC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010849142	0	29	-2.0	-105.12	301.83	3.73	-101.39
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010849142	1	30	-1.0	-44.18	296.42	3.79	-40.39
CC(CNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010849143	0	30	-1.0	-45.21	292.38	3.68	-41.53
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010849143	1	29	-2.0	-101.42	299.78	3.65	-97.77
CC(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010849144	0	28	-1.0	-44.21	281.95	4.20	-40.01
CC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010849144	1	27	-2.0	-106.81	282.83	3.90	-102.91
CC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010849145	0	29	-1.0	-52.57	272.97	1.27	-51.30
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010849146	0	31	-1.0	-46.31	308.65	4.61	-41.70
CC(CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010849147	0	28	-1.0	-52.86	273.13	3.27	-49.59
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300010849148	0	38	-1.0	-50.98	336.35	3.61	-47.37
CC(CNS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849149	0	28	-1.0	-43.43	287.01	4.13	-39.30
CC(=O)NC1=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849150	0	31	-1.0	-53.62	299.23	0.39	-53.23
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849150	1	30	-2.0	-95.35	295.92	-0.74	-96.09
CC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010849151	0	31	-1.0	-47.70	298.80	4.19	-43.51
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010849152	0	32	-1.0	-53.54	305.88	0.18	-53.36
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849153	0	37	-1.0	-51.20	320.56	5.33	-45.87
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849154	0	36	-1.0	-50.63	291.74	0.59	-50.04
CC(CNS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010849155	0	32	-1.0	-53.36	310.45	0.28	-53.08
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010849156	0	39	-1.0	-51.88	325.87	4.15	-47.73
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010849157	0	32	-1.0	-50.14	310.93	4.08	-46.06
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849158	0	35	-1.0	-48.95	324.57	3.45	-45.50
CC(CNS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010849159	0	31	-1.0	-50.41	315.07	4.40	-46.01
CC(CNS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010849160	0	29	-1.0	-58.67	279.53	3.15	-55.52
CC(CNS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010849161	0	29	-1.0	-52.43	279.34	3.25	-49.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849162	0	34	-1.0	-44.75	307.24	4.76	-39.99
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849163	0	45	-1.0	-50.68	390.24	2.60	-48.08
CC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010849164	0	34	-1.0	-50.41	304.41	3.93	-46.48
COCCOCCOCCS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849165	0	42	-1.0	-51.36	361.87	0.22	-51.14
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849166	0	38	-1.0	-55.26	335.47	0.26	-55.00
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010849167	0	27	-2.0	-115.35	275.18	3.38	-111.97
CC(CNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010849167	1	28	-1.0	-51.22	275.80	3.73	-47.49
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2CC1	REAL300010849168	0	45	-1.0	-50.63	365.23	4.80	-45.83
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010849169	0	37	-1.0	-47.15	339.21	4.36	-42.79
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300010849170	0	38	-1.0	-46.87	348.29	4.48	-42.39
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849171	0	37	-1.0	-49.08	320.32	5.17	-43.91
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849172	0	37	-1.0	-48.06	315.33	4.86	-43.20
CNC(=O)C1=CC=C(CS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849173	0	38	-1.0	-51.67	334.86	1.87	-49.80
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849174	0	42	-1.0	-56.83	363.39	3.82	-53.01
CC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010849175	0	41	-1.0	-48.61	354.53	4.43	-44.18
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010849176	0	37	-1.0	-46.83	340.83	4.60	-42.23
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010849176	1	36	-2.0	-108.37	348.27	4.58	-103.79
CC(CNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010849177	0	30	-1.0	-51.76	300.32	4.68	-47.08
CC(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010849177	1	29	-2.0	-110.27	300.37	4.36	-105.91
CC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010849178	0	37	-1.0	-57.58	314.58	0.06	-57.52
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849179	0	35	-2.0	-113.75	321.05	4.03	-109.72
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300010849180	0	39	-1.0	-50.35	349.28	2.67	-47.68
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(F)C=C1C	REAL300010849181	0	40	-1.0	-48.28	344.32	4.75	-43.53
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849182	0	42	-1.0	-52.99	364.99	1.08	-51.91
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849183	0	39	-1.0	-49.35	329.04	2.43	-46.92
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849184	0	41	-1.0	-49.09	350.49	4.28	-44.81
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1C	REAL300010849185	0	40	-1.0	-46.75	346.15	4.99	-41.76
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849186	0	40	-1.0	-52.29	352.27	5.24	-47.05
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849187	0	34	-1.0	-46.99	326.01	5.57	-41.42
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849187	1	33	-2.0	-118.83	329.27	5.11	-113.72
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849188	0	31	-1.0	-45.88	295.09	4.97	-40.91
CC(COC1CCCC1)CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849189	0	44	-1.0	-46.11	354.57	4.23	-41.88
CC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010849190	0	34	-1.0	-46.44	316.62	4.89	-41.55
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849191	0	37	-1.0	-50.54	329.12	4.23	-46.31
CC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010849192	0	38	-1.0	-51.26	327.65	6.29	-44.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849193	0	42	-1.0	-50.66	372.89	0.67	-49.99
CC(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010849194	0	31	-1.0	-46.78	294.29	4.13	-42.65
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1C	REAL300010849195	0	40	-1.0	-48.75	356.28	4.09	-44.66
CC(CNS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010849196	0	34	-1.0	-53.80	324.78	0.83	-52.97
CC(CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010849197	0	32	-1.0	-48.66	301.51	3.74	-44.92
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C(Br)N1C	REAL300010849198	0	31	-1.0	-53.00	295.02	2.45	-50.55
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(Br)N1C	REAL300010849198	1	30	-2.0	-121.57	292.55	1.94	-119.63
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849199	0	41	-1.0	-53.88	346.41	3.74	-50.14
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010849200	0	31	-2.0	-102.80	290.65	2.48	-100.32
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010849200	1	32	-1.0	-48.90	302.70	1.64	-47.26
CC(CNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010849201	0	45	-1.0	-55.46	399.53	3.28	-52.18
CC(CNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010849202	0	29	-1.0	-45.72	292.15	3.53	-42.19
CC(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010849202	1	28	-2.0	-105.03	298.78	3.48	-101.55
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849203	0	39	-1.0	-51.88	344.09	2.24	-49.64
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010849204	0	43	-1.0	-50.35	366.38	5.70	-44.65
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849205	0	40	-1.0	-53.37	357.41	2.08	-51.29
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849206	0	39	-1.0	-46.24	375.59	3.62	-42.62
CC(CNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010849207	0	33	-1.0	-48.10	299.88	0.08	-48.02
COC(=O)C1(CS(=O)(=O)NCC(C)C(=O)[O-])CCCC1	REAL300010849208	0	40	-1.0	-49.17	327.73	4.01	-45.16
CC(CNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010849209	0	27	-1.0	-44.54	285.54	2.08	-42.46
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849210	0	35	-1.0	-46.91	326.43	3.12	-43.79
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849211	0	37	-1.0	-48.54	342.07	5.35	-43.19
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010849212	0	34	-1.0	-45.74	308.69	4.41	-41.33
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010849213	0	39	-1.0	-47.37	359.67	6.26	-41.11
COC(=O)CC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849214	0	37	-1.0	-52.77	331.21	4.34	-48.43
CC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010849215	0	30	-1.0	-51.97	278.09	2.64	-49.33
CC(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010849216	0	34	-1.0	-50.48	315.70	4.85	-45.63
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010849217	0	28	-1.0	-46.83	286.83	3.09	-43.74
CC(CNS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010849218	0	32	-1.0	-47.56	303.10	3.88	-43.68
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1I	REAL300010849219	0	31	-1.0	-48.41	299.61	4.54	-43.87
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849220	0	41	-1.0	-52.65	363.60	3.24	-49.41
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849221	0	44	-1.0	-52.90	386.34	4.18	-48.72
COC(=O)C1(CS(=O)(=O)NCC(C)C(=O)[O-])CCCCC1	REAL300010849222	0	43	-1.0	-50.55	339.63	4.37	-46.18
COC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN=C1C	REAL300010849223	0	36	-1.0	-47.16	320.51	2.25	-44.91
CC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010849224	0	32	-1.0	-53.14	298.31	2.46	-50.68
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849225	0	37	-1.0	-45.56	347.13	4.96	-40.60
CC(CNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010849226	0	44	-1.0	-54.47	386.86	4.74	-49.73
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010849227	0	30	-1.0	-48.79	291.13	2.16	-46.63
CC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010849228	0	37	-1.0	-51.52	318.26	4.48	-47.04
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010849229	0	29	-1.0	-53.23	282.41	2.14	-51.09
CC(CNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010849230	0	34	-1.0	-50.37	310.19	4.49	-45.88
CC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010849231	0	31	-1.0	-48.62	294.16	1.84	-46.78
CC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010849231	1	30	-2.0	-113.75	292.80	1.43	-112.32
CC(CNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849232	0	30	-1.0	-44.58	294.33	4.96	-39.62
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849232	1	29	-2.0	-111.30	294.74	4.71	-106.59
COC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(F)C=C1C	REAL300010849233	0	37	-1.0	-48.54	322.47	3.82	-44.72
CC1=CC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010849234	0	36	-1.0	-46.75	329.93	4.26	-42.49
CC(CNS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010849235	0	38	-1.0	-47.74	333.04	3.63	-44.11
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(C)C)=C1	REAL300010849236	0	55	-1.0	-46.58	412.53	8.76	-37.82
CC(CNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010849237	0	33	-1.0	-50.97	301.05	4.46	-46.51
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849238	0	40	-1.0	-48.82	355.06	5.18	-43.64
COC(=O)C1=NC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849239	0	33	-1.0	-50.89	293.83	2.58	-48.31
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849240	0	35	-1.0	-45.66	321.98	3.17	-42.49
COC1=CC=C2C=C(S(=O)(=O)NCC(C)C(=O)[O-])CCC2=C1	REAL300010849241	0	40	-1.0	-47.24	337.68	4.57	-42.67
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010849242	0	31	-1.0	-49.59	290.43	3.35	-46.24
CC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010849242	1	30	-2.0	-110.04	289.79	3.01	-107.03
CC(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849243	0	31	-1.0	-47.95	305.93	4.94	-43.01
CC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849243	1	30	-2.0	-116.74	304.10	4.57	-112.17
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849244	0	42	-1.0	-58.75	369.38	1.03	-57.72
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849244	1	41	-2.0	-105.36	365.26	1.11	-104.25
CC(CNS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010849245	0	31	-1.0	-47.70	305.40	4.26	-43.44
CC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010849246	0	37	-1.0	-58.09	339.08	1.10	-56.99
CC1=CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C=C1	REAL300010849247	0	37	-1.0	-49.55	321.55	5.83	-43.72
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849248	0	37	-1.0	-48.10	337.12	4.85	-43.25
CC(CNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010849249	0	43	-1.0	-52.67	376.23	3.44	-49.23
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849250	0	41	-1.0	-49.83	349.72	3.23	-46.60
CC(CNS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010849251	0	31	-1.0	-49.70	297.26	4.06	-45.64
CC(CNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010849252	0	34	-1.0	-53.97	297.40	4.90	-49.07
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(CC)=C1	REAL300010849253	0	46	-1.0	-46.43	353.17	7.61	-38.82
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300010849254	0	47	-1.0	-48.09	395.26	3.64	-44.45
CC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010849255	0	35	-1.0	-55.66	310.26	2.65	-53.01
CC(CNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010849256	0	30	-1.0	-50.05	302.79	2.80	-47.25
COC1=CC(OC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849257	0	36	-1.0	-46.48	319.52	2.59	-43.89
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010849258	0	36	-1.0	-50.30	324.91	1.43	-48.87
CC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010849259	0	33	-1.0	-52.66	308.44	-2.14	-54.80
CC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010849260	0	39	-1.0	-56.35	326.64	0.02	-56.33
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Cl	REAL300010849261	0	32	-1.0	-46.34	298.99	2.74	-43.60
CC(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010849262	0	31	-1.0	-47.55	284.57	0.14	-47.41
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849263	0	41	-1.0	-51.01	349.86	4.28	-46.73
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010849264	0	37	-1.0	-49.83	324.52	5.87	-43.96
CC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010849265	0	32	-1.0	-43.97	290.93	3.08	-40.89
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010849266	0	32	-1.0	-43.94	301.25	3.53	-40.41
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849267	0	37	-1.0	-50.35	336.67	4.39	-45.96
COC(CC1=CC=CC=C1)CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849268	0	41	-1.0	-48.17	345.11	4.80	-43.37
CC(CNS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010849269	0	31	-1.0	-46.79	312.30	4.63	-42.16
CC(CNS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010849270	0	31	-1.0	-45.84	311.81	4.66	-41.18
CC(CNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010849271	0	31	-1.0	-43.46	293.36	1.97	-41.49
CCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010849272	0	36	-1.0	-54.69	316.68	4.72	-49.97
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849273	0	44	-1.0	-48.70	351.00	5.06	-43.64
CC(CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010849274	0	35	-1.0	-50.32	330.06	5.26	-45.06
COC1=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849275	0	31	-1.0	-45.45	296.70	0.10	-45.35
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849276	0	37	-1.0	-51.35	329.46	4.22	-47.13
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849277	0	37	-1.0	-48.16	347.25	4.52	-43.64
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=N1	REAL300010849278	0	37	-1.0	-49.80	339.69	4.35	-45.45
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1F	REAL300010849279	0	34	-1.0	-53.94	321.65	3.75	-50.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849279	1	33	-2.0	-116.21	327.94	3.70	-112.51
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849280	0	37	-1.0	-49.60	327.92	3.91	-45.69
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849281	0	34	-1.0	-46.05	309.94	4.74	-41.31
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010849282	0	43	-1.0	-50.69	368.38	0.68	-50.01
CC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010849283	0	35	-1.0	-53.64	319.74	0.75	-52.89
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])SC(Br)=C1	REAL300010849284	0	28	-1.0	-46.33	283.34	3.43	-42.90
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010849285	0	37	-1.0	-50.50	316.03	3.25	-47.25
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849286	0	38	-1.0	-54.65	317.24	1.53	-53.12
CC(CNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010849287	0	34	-1.0	-50.61	312.20	4.78	-45.83
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849288	0	32	-1.0	-43.54	300.97	3.38	-40.16
COC1=CC2=C(C=C1S(=O)(=O)NCC(C)C(=O)[O-])C(=O)NCCC2	REAL300010849289	0	43	-1.0	-53.08	350.89	1.83	-51.25
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC(C)C(=O)[O-])S2)C1	REAL300010849290	0	39	-1.0	-51.71	344.10	3.33	-48.38
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010849291	0	35	-1.0	-48.42	324.87	5.18	-43.24
CC(CNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010849292	0	31	-1.0	-46.06	300.62	4.21	-41.85
CC(CNS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010849293	0	32	-1.0	-50.15	303.25	0.06	-50.09
CC(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010849293	1	31	-2.0	-107.21	309.86	0.01	-107.20
CC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010849294	0	31	-1.0	-46.29	297.37	4.08	-42.21
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010849295	0	28	-1.0	-43.54	292.66	4.02	-39.52
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849296	0	35	-1.0	-58.10	310.57	0.32	-57.78
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849297	0	53	-1.0	-46.63	434.98	7.82	-38.81
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849298	0	43	-1.0	-50.37	363.62	5.22	-45.15
CC(CNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849299	0	28	-1.0	-43.55	302.61	4.61	-38.94
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849299	1	27	-2.0	-104.37	301.20	4.23	-100.14
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849300	0	38	-1.0	-48.85	346.13	4.98	-43.87
CC(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010849301	0	28	-1.0	-44.30	281.27	3.57	-40.73
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849302	0	34	-1.0	-47.71	313.58	3.59	-44.12
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010849303	0	42	-1.0	-51.11	361.62	5.94	-45.17
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010849304	0	42	-1.0	-48.02	371.74	6.25	-41.77
CC(CNS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010849305	0	27	-1.0	-51.29	263.26	1.94	-49.35
CC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010849305	1	26	-2.0	-119.77	265.33	1.31	-118.46
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C2)=N1	REAL300010849306	0	40	-1.0	-53.09	346.12	2.88	-50.21
COC(CS(=O)(=O)NCC(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010849307	0	38	-1.0	-48.40	336.07	4.03	-44.37
CC(CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010849308	0	40	-1.0	-51.09	338.32	4.34	-46.75
COC(=O)C1=C(S(=O)(=O)NCC(C)C(=O)[O-])N(C)N=C1	REAL300010849309	0	34	-1.0	-50.99	300.58	1.82	-49.17
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300010849310	0	36	-1.0	-49.61	336.16	1.80	-47.81
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC(C)C(=O)[O-])C=CC=C12	REAL300010849311	0	40	-1.0	-51.04	344.51	5.74	-45.30
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300010849312	0	39	-1.0	-52.50	339.16	2.07	-50.43
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1F	REAL300010849313	0	34	-1.0	-53.95	311.32	3.31	-50.64
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849313	1	33	-2.0	-115.28	316.74	3.23	-112.05
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(Cl)C=C21	REAL300010849314	0	39	-1.0	-60.16	334.31	3.96	-56.20
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849315	0	41	-1.0	-47.99	344.29	4.56	-43.43
COC(CS(=O)(=O)NCC(C)C(=O)[O-])C1CCCCC1	REAL300010849316	0	44	-1.0	-45.97	345.44	3.88	-42.09
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300010849317	0	47	-1.0	-47.82	384.91	5.93	-41.89
CC(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010849318	0	31	-1.0	-58.32	303.72	2.71	-55.61
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010849319	0	36	-1.0	-47.86	317.35	5.36	-42.50
CC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010849320	0	41	-1.0	-46.32	355.60	5.21	-41.11
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC(C)C(=O)[O-])O1	REAL300010849321	0	34	-1.0	-50.42	310.88	2.25	-48.17
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])O1	REAL300010849321	1	33	-2.0	-108.23	311.06	1.92	-106.31
CCC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1CC1CC1	REAL300010849322	0	41	-1.0	-50.33	348.74	4.65	-45.68
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849323	0	34	-1.0	-49.80	318.41	4.98	-44.82
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C1	REAL300010849324	0	39	-1.0	-51.12	337.20	3.34	-47.78
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010849325	0	31	-1.0	-46.14	295.06	1.50	-44.64
CC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010849326	0	39	-1.0	-51.38	354.89	7.00	-44.38
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849327	0	31	-1.0	-46.72	295.21	4.45	-42.27
CC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010849328	0	38	-1.0	-51.28	320.80	6.29	-44.99
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010849329	0	48	-1.0	-48.15	409.97	7.79	-40.36
CC1=CC=C(Br)C(CS(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849330	0	34	-1.0	-48.23	315.64	4.80	-43.43
COC1=CC=CC(Br)=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849331	0	35	-1.0	-49.58	322.46	3.50	-46.08
CC(CNS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010849332	0	34	-1.0	-48.98	310.52	4.43	-44.55
CC(CNS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010849333	0	27	-1.0	-51.22	269.45	1.23	-49.99
CC(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010849333	1	26	-2.0	-109.18	273.90	1.17	-108.01
CC(C)OC1=CN=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849334	0	37	-1.0	-47.15	317.97	1.93	-45.22
CC(CNS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010849335	0	34	-1.0	-52.85	315.76	1.31	-51.54
CC(CNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010849336	0	35	-1.0	-48.67	329.80	2.20	-46.47
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C)C=C1OC	REAL300010849337	0	41	-1.0	-49.01	339.27	4.56	-44.45
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849338	0	34	-1.0	-44.17	324.97	4.75	-39.42
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849339	0	36	-1.0	-49.83	323.92	3.88	-45.95
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849340	0	31	-1.0	-46.44	304.34	4.87	-41.57
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010849341	0	37	-1.0	-51.38	304.18	5.95	-45.43
CC(CNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010849342	0	35	-1.0	-45.87	323.90	2.80	-43.07
CC1=CC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C2NC1=O	REAL300010849343	0	37	-1.0	-50.72	325.33	2.63	-48.09
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010849344	0	37	-1.0	-52.80	334.87	4.51	-48.29
CC(CNS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010849345	0	28	-1.0	-47.44	271.17	0.52	-46.92
CC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010849345	1	27	-2.0	-110.66	268.47	0.05	-110.61
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010849346	0	33	-1.0	-49.18	299.42	3.96	-45.22
CC(CNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010849347	0	34	-1.0	-47.57	308.90	4.06	-43.51
CC(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010849348	0	45	0.0	-71.63	355.25	2.10	-69.53
CC(CNS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010849348	1	44	-1.0	-46.99	352.36	-0.40	-47.39
CC(CNS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010849349	0	28	-1.0	-44.08	267.95	0.61	-43.47
CC(CNS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849350	0	37	-1.0	-46.29	347.61	5.04	-41.25
CC(CNS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010849351	0	28	-1.0	-42.32	271.16	0.94	-41.38
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849352	0	32	-1.0	-44.21	287.95	3.95	-40.26
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N1	REAL300010849353	0	37	-1.0	-45.55	322.92	1.43	-44.12
CCCCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=N1	REAL300010849354	0	40	-1.0	-48.66	343.28	3.57	-45.09
COC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(OC)C=C1F	REAL300010849355	0	38	-1.0	-46.51	333.17	3.39	-43.12
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849356	0	38	-1.0	-53.01	326.50	3.65	-49.36
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300010849357	0	44	-1.0	-48.54	364.22	5.15	-43.39
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010849358	0	40	-1.0	-49.10	332.49	5.15	-43.95
CC(CNS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010849359	0	31	-1.0	-47.14	297.40	4.08	-43.06
CC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010849360	0	47	-1.0	-48.93	379.87	7.43	-41.50
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849361	0	33	-1.0	-51.32	317.69	3.06	-48.26
CC(CNS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010849362	0	25	-1.0	-52.10	251.73	0.98	-51.12
CC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010849362	1	24	-2.0	-118.71	253.27	0.46	-118.25
CC(CNS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010849363	0	36	-1.0	-55.30	322.87	3.76	-51.54
CC(CNS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010849364	0	27	-1.0	-47.12	267.92	1.58	-45.54
CC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010849364	1	26	-2.0	-106.23	278.66	1.76	-104.47
COC1=NC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849365	0	31	-1.0	-46.10	293.95	0.71	-45.39
CC(CNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010849366	0	33	-1.0	-48.29	309.76	3.75	-44.54
CC(CNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010849367	0	30	-1.0	-45.94	293.51	2.74	-43.20
CC(CNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010849368	0	38	-1.0	-50.51	339.14	3.60	-46.91
CC(CNS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010849369	0	31	-1.0	-46.27	295.98	3.75	-42.52
CC(CNS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010849370	0	27	-1.0	-49.03	282.88	1.23	-47.80
CC(CNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010849371	0	30	-1.0	-48.92	307.23	2.97	-45.95
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010849372	0	30	-1.0	-48.12	287.26	4.17	-43.95
CC(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010849373	0	39	-1.0	-56.23	339.05	-0.54	-56.77
CC(CNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010849374	0	29	-1.0	-44.65	298.91	1.97	-42.68
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849375	0	37	-1.0	-49.09	333.20	4.26	-44.83
CC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010849376	0	30	-2.0	-114.90	301.20	3.69	-111.21
CC(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010849376	1	31	-1.0	-49.45	300.03	3.94	-45.51
CC(CNS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010849377	0	31	-1.0	-46.06	288.31	1.61	-44.45
CC(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010849377	1	30	-2.0	-108.84	285.97	1.16	-107.68
CC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010849378	0	38	-1.0	-46.32	312.72	2.90	-43.42
CC(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010849379	0	25	-1.0	-46.27	251.62	1.95	-44.32
CC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010849380	0	40	-1.0	-47.82	324.44	3.15	-44.67
CC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010849381	0	38	-1.0	-49.31	322.03	3.24	-46.07
CC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010849382	0	31	-1.0	-47.08	279.99	1.45	-45.63
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849383	0	46	-1.0	-51.70	397.74	4.64	-47.06
CC(CNS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010849384	0	28	-1.0	-50.91	269.01	0.65	-50.26
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010849385	0	30	-1.0	-48.78	285.44	2.13	-46.65
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849386	0	35	-1.0	-48.83	312.09	3.01	-45.82
CC(CNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010849387	0	42	-1.0	-50.51	360.17	4.10	-46.41
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849388	0	31	-1.0	-46.31	304.34	4.87	-41.44
CC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849389	0	33	-1.0	-49.68	300.05	3.39	-46.29
CC(CNS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010849390	0	37	-1.0	-58.45	318.22	0.91	-57.54
CC(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010849390	1	36	-2.0	-139.81	316.36	0.55	-139.26
CCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300010849391	0	50	-1.0	-46.57	406.41	6.71	-39.86
CC(CNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010849392	0	31	-1.0	-49.38	290.94	3.80	-45.58
CC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010849393	0	39	-1.0	-51.24	331.52	3.08	-48.16
CC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010849394	0	32	-1.0	-45.97	303.26	4.59	-41.38
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010849395	0	50	-1.0	-48.06	397.47	6.60	-41.46
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1CC	REAL300010849396	0	44	-1.0	-47.22	368.80	5.41	-41.81
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849397	0	34	-1.0	-43.58	296.59	4.87	-38.71
COCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300010849398	0	39	-1.0	-48.01	359.65	3.07	-44.94
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849399	0	42	-1.0	-49.66	346.82	2.61	-47.05
CC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010849400	0	31	-1.0	-49.28	309.05	4.57	-44.71
CC(CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010849401	0	31	-1.0	-50.47	300.80	4.20	-46.27
CC(CNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010849402	0	38	-1.0	-52.61	336.74	4.81	-47.80
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849403	0	34	-1.0	-45.71	314.60	4.78	-40.93
COC1=CC=C(Br)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1F	REAL300010849404	0	32	-1.0	-53.93	302.40	3.10	-50.83
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1F	REAL300010849404	1	31	-2.0	-120.67	302.58	2.78	-117.89
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849405	0	38	-1.0	-48.75	328.83	5.22	-43.53
CCOC(=O)C1=C(S(=O)(=O)NCC(C)C(=O)[O-])N(C)N=C1	REAL300010849406	0	37	-1.0	-51.42	323.32	2.77	-48.65
CC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010849407	0	32	-1.0	-46.61	299.90	4.48	-42.13
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(=O)OC	REAL300010849408	0	40	-1.0	-50.83	359.94	4.55	-46.28
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849409	0	41	-1.0	-51.75	354.46	3.68	-48.07
CC(CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010849410	0	37	-1.0	-53.50	315.57	3.59	-49.91
COC(=O)C1=CC=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849411	0	33	-1.0	-53.13	305.63	1.67	-51.46
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849412	0	44	-1.0	-46.61	368.29	5.63	-40.98
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C21	REAL300010849413	0	48	-1.0	-54.79	380.48	5.35	-49.44
COC(=O)C1=CN(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849414	0	35	-1.0	-56.71	309.37	2.89	-53.82
CC(CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010849415	0	42	-1.0	-48.75	349.82	2.98	-45.77
CC(CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010849416	0	43	-1.0	-65.23	365.31	5.54	-59.69
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C21	REAL300010849417	0	42	-1.0	-64.68	355.45	4.82	-59.86
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300010849418	0	43	-1.0	-47.97	383.15	6.76	-41.21
CC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010849419	0	38	-1.0	-45.31	314.30	3.23	-42.08
COC(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010849420	0	40	-1.0	-49.85	344.96	5.78	-44.07
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849421	0	41	-1.0	-49.88	347.47	4.20	-45.68
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849422	0	38	-1.0	-50.08	328.14	3.70	-46.38
CC(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010849423	0	39	-1.0	-48.08	324.67	0.91	-47.17
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010849424	0	34	-1.0	-48.96	321.10	3.81	-45.15
CC(CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010849425	0	34	-1.0	-50.38	304.17	0.11	-50.27
CC(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010849426	0	24	-2.0	-111.44	254.57	1.20	-110.24
CC(CNS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010849426	1	25	-1.0	-47.70	254.16	1.57	-46.13
COC1=C(F)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849427	0	32	-1.0	-45.22	299.62	2.41	-42.81
COC1=CC(F)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300010849428	0	32	-1.0	-47.64	287.40	2.00	-45.64
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300010849429	0	53	-1.0	-47.75	427.91	7.49	-40.26
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300010849430	0	44	-1.0	-49.30	357.68	5.02	-44.28
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849431	0	38	-1.0	-50.09	328.73	4.29	-45.80
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300010849432	0	51	-1.0	-50.79	418.89	5.35	-45.44
CC(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010849433	0	36	-1.0	-46.58	322.11	2.55	-44.03
CC(CNS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010849434	0	36	-1.0	-49.06	322.00	5.08	-43.98
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849435	0	32	-1.0	-48.70	291.98	3.51	-45.19
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849435	1	31	-2.0	-117.40	289.24	3.20	-114.20
CC1=C(Br)C(S(=O)(=O)NCC(C)C(=O)[O-])=C(C)S1	REAL300010849436	0	31	-1.0	-47.88	298.12	4.27	-43.61
CC1=CC(Cl)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(Br)=C1	REAL300010849437	0	31	-1.0	-47.08	301.75	4.94	-42.14
COC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=N1	REAL300010849438	0	33	-1.0	-47.76	305.20	1.73	-46.03
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1Br	REAL300010849439	0	34	-1.0	-49.55	319.63	4.13	-45.42
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C21	REAL300010849440	0	45	-1.0	-57.63	362.95	4.95	-52.68
CC(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010849441	0	34	-1.0	-49.60	307.12	3.51	-46.09
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C21	REAL300010849442	0	42	-1.0	-56.42	354.06	4.50	-51.92
CC(CNS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010849443	0	28	-1.0	-46.33	276.22	1.02	-45.31
CC(CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849444	0	30	-1.0	-45.54	288.40	2.09	-43.45
CC(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010849445	0	32	-1.0	-52.31	301.43	3.13	-49.18
CC(CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010849446	0	31	-1.0	-58.81	299.16	2.60	-56.21
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300010849447	0	37	-1.0	-47.67	301.58	4.90	-42.77
COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300010849448	0	36	-1.0	-52.96	301.92	2.70	-50.26
CC(CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010849449	0	37	-1.0	-60.36	321.78	0.10	-60.26
CC(CNS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010849450	0	29	-1.0	-49.31	294.78	3.80	-45.51
CC(CNS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849451	0	44	-1.0	-50.65	398.99	3.85	-46.80
CC(CNS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849451	1	43	-2.0	-86.77	396.02	2.27	-84.50
COC1=CC=C(F)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300010849452	0	36	-1.0	-52.39	312.88	3.20	-49.19
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849453	0	30	-2.0	-104.09	311.45	1.90	-102.19
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849453	1	31	-1.0	-48.36	312.08	2.26	-46.10
CC(CNS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010849454	0	25	-1.0	-46.50	274.41	3.10	-43.40
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010849455	0	41	-1.0	-47.65	322.49	2.98	-44.67
CC(CNS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010849456	0	32	-1.0	-53.30	304.30	4.80	-48.50
CC(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010849457	0	30	-2.0	-95.24	280.94	3.22	-92.02
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010849458	0	32	-1.0	-49.21	293.00	2.45	-46.76
CC(CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010849459	0	32	-1.0	-56.05	302.17	3.16	-52.89
CC(CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010849460	0	31	-1.0	-50.49	284.06	2.11	-48.38
CC(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010849460	1	30	-2.0	-121.76	281.36	1.72	-120.04
CC(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010849461	0	28	-2.0	-101.71	285.85	2.53	-99.18
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300010849462	0	34	-1.0	-48.49	307.63	4.97	-43.52
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010849463	0	34	-1.0	-44.61	322.84	4.02	-40.59
CC(CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010849464	0	31	-1.0	-45.97	277.62	2.77	-43.20
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010849465	0	38	-1.0	-47.35	305.70	2.50	-44.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849466	0	46	-1.0	-48.95	368.40	6.91	-42.04
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010849467	0	34	-1.0	-45.09	324.66	4.76	-40.33
CC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010849468	0	38	-1.0	-47.26	328.60	3.52	-43.74
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010849469	0	39	-1.0	-48.36	342.81	5.69	-42.67
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010849470	0	41	-1.0	-52.25	343.55	1.28	-50.97
COC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010849471	0	37	-1.0	-61.42	319.69	4.11	-57.31
COC(=O)C1=NN(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849472	0	34	-1.0	-50.98	309.73	1.22	-49.76
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010849473	0	32	-1.0	-45.13	311.07	4.23	-40.90
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C=C1	REAL300010849474	0	40	-1.0	-50.85	354.12	5.79	-45.06
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010849475	0	37	-1.0	-48.74	343.28	5.50	-43.24
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010849476	0	33	-1.0	-44.62	304.36	2.70	-41.92
CC(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849477	0	31	-1.0	-43.72	299.77	3.96	-39.76
CC(CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010849478	0	28	-1.0	-45.20	275.50	3.41	-41.79
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849479	0	28	-1.0	-44.22	286.01	2.99	-41.23
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849480	0	38	-1.0	-50.64	335.95	1.88	-48.76
CC(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849481	0	25	-1.0	-47.32	258.13	1.60	-45.72
CC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010849481	1	24	-2.0	-107.29	256.31	1.22	-106.07
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010849482	0	31	-1.0	-46.84	306.16	4.32	-42.52
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849483	0	39	-1.0	-51.78	338.84	4.93	-46.85
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010849484	0	39	-1.0	-47.83	323.30	5.96	-41.87
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010849485	0	38	-1.0	-49.34	334.87	4.57	-44.77
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010849486	0	34	-1.0	-45.75	316.17	3.91	-41.84
CC(CNS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010849487	0	33	-1.0	-44.86	305.27	3.42	-41.44
CC(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010849488	0	35	-1.0	-49.15	306.80	1.21	-47.94
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849489	0	38	-1.0	-46.01	350.82	3.66	-42.35
CC(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010849490	0	28	-1.0	-46.29	277.22	3.58	-42.71
CC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010849491	0	28	-1.0	-45.65	273.94	3.29	-42.36
CC(CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849492	0	31	-1.0	-46.53	285.56	4.54	-41.99
COC(=O)C1=C(C)SC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849493	0	34	-1.0	-45.71	320.80	3.23	-42.48
CC(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010849494	0	35	-1.0	-50.02	302.11	4.74	-45.28
CC(CNS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010849495	0	30	-1.0	-44.43	308.13	3.09	-41.34
CC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010849496	0	38	-1.0	-47.15	318.79	3.28	-43.87
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849497	0	37	-1.0	-51.38	324.95	0.39	-50.99
CC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010849498	0	31	-1.0	-54.40	307.38	-0.62	-55.02
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849499	0	37	-1.0	-51.38	324.95	0.39	-50.99
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849500	0	31	-1.0	-47.12	278.78	4.44	-42.68
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849501	0	40	-1.0	-53.57	344.00	6.67	-46.90
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010849502	0	28	-1.0	-48.02	277.60	2.09	-45.93
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010849502	1	27	-2.0	-105.94	275.79	1.71	-104.23
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849503	0	32	-1.0	-44.35	287.48	2.86	-41.49
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010849504	0	42	-1.0	-48.82	352.22	2.00	-46.82
CC(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010849505	0	34	-1.0	-47.40	307.47	4.43	-42.97
CC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010849506	0	32	-1.0	-48.85	293.51	2.48	-46.37
CC(CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010849507	0	35	-1.0	-47.23	342.78	2.81	-44.42
CC(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010849508	0	43	-1.0	-47.01	349.77	5.58	-41.43
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300010849509	0	39	-1.0	-57.99	325.71	5.25	-52.74
CC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010849510	0	36	-1.0	-48.47	307.88	2.90	-45.57
CCOCC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849511	0	38	-1.0	-48.30	330.37	3.57	-44.73
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849512	0	37	-1.0	-51.21	333.85	5.14	-46.07
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010849513	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010849514	0	38	-1.0	-48.84	333.13	4.06	-44.78
CC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010849515	0	41	-1.0	-48.83	340.14	3.82	-45.01
CC(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849516	0	31	-1.0	-47.75	309.40	5.07	-42.68
CC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010849516	1	30	-2.0	-115.34	306.70	4.67	-110.67
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010849517	0	39	-1.0	-46.79	343.32	5.73	-41.06
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849518	0	40	-1.0	-51.08	342.91	5.61	-45.47
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1Br	REAL300010849519	0	34	-1.0	-45.10	312.32	4.63	-40.47
CC(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010849520	0	33	-1.0	-48.62	315.69	4.39	-44.23
CC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010849520	1	32	-2.0	-115.49	316.38	4.07	-111.42
CC(CNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010849521	0	34	-1.0	-46.71	327.65	4.08	-42.63
CC(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010849521	1	33	-2.0	-111.19	330.06	3.85	-107.34
CC(CNS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010849522	0	40	-1.0	-48.30	338.71	0.60	-47.70
CC(CNS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010849523	0	32	-1.0	-46.46	303.91	4.57	-41.89
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC(C)C(=O)[O-])=C2	REAL300010849524	0	34	-1.0	-46.96	339.72	4.11	-42.85
CC(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010849525	0	27	-2.0	-113.08	282.62	3.43	-109.65
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849526	0	30	-1.0	-51.49	287.62	1.83	-49.66
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849526	1	29	-2.0	-107.48	292.94	1.77	-105.71
CC(CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010849527	0	33	-1.0	-53.77	310.70	4.09	-49.68
CC(CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010849528	0	33	-1.0	-51.72	307.38	3.89	-47.83
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849529	0	30	-1.0	-51.49	287.62	1.83	-49.66
CC(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010849529	1	29	-2.0	-107.48	292.94	1.77	-105.71
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010849530	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300010849531	0	37	-1.0	-51.21	313.00	5.79	-45.42
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849532	0	32	-1.0	-53.88	305.30	3.88	-50.00
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849532	1	31	-2.0	-122.18	305.48	3.55	-118.63
CC(CNS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010849533	0	35	-1.0	-49.91	311.70	3.24	-46.67
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010849534	0	42	-1.0	-48.00	358.33	4.38	-43.62
CC(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010849535	0	28	-1.0	-50.47	273.75	3.18	-47.29
CC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010849535	1	27	-2.0	-108.46	280.35	3.13	-105.33
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC(C)C(=O)[O-])O1	REAL300010849536	0	34	-1.0	-58.23	317.91	-0.81	-59.04
CC(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010849537	0	38	-1.0	-47.83	319.10	3.72	-44.11
CC(CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010849538	0	34	-1.0	-50.94	322.93	0.50	-50.44
CC(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010849539	0	32	-1.0	-45.92	307.83	4.68	-41.24
CC(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010849540	0	32	-1.0	-46.62	307.82	4.69	-41.93
CC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010849541	0	30	-1.0	-47.76	285.58	2.28	-45.48
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010849542	0	37	-1.0	-53.71	327.61	2.05	-51.66
CC1=NC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010849542	1	36	-2.0	-125.52	327.98	1.46	-124.06
CC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010849543	0	45	-1.0	-47.95	331.26	5.80	-42.15
CC(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010849544	0	36	-1.0	-58.93	323.93	-0.30	-59.23
CCOC(=O)C1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C2C=CC=CN12	REAL300010849545	0	40	-1.0	-59.44	355.04	4.72	-54.72
CC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010849546	0	32	-1.0	-55.80	301.42	1.92	-53.88
COC(=O)C1=CN2C=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C2C=C1	REAL300010849547	0	37	-1.0	-56.58	334.86	4.77	-51.81
CC(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010849548	0	38	-1.0	-47.36	335.70	5.71	-41.65
COC(=O)C1CCCCN1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849549	0	39	-1.0	-49.09	315.75	3.52	-45.57
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010849550	0	50	-1.0	-48.78	383.84	7.07	-41.71
CC(CNS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010849551	0	31	-1.0	-47.82	299.71	3.71	-44.11
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849552	0	39	-1.0	-47.30	327.96	3.75	-43.55
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=NN1	REAL300010849553	0	34	-1.0	-48.45	313.95	0.67	-47.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849553	1	33	-2.0	-97.75	308.51	0.58	-97.17
CCOC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=N[N-]1	REAL300010849553	1	33	-2.0	-97.65	308.56	0.58	-97.07
COC1=CSC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300010849554	0	33	-1.0	-48.48	303.03	0.76	-47.72
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C)C(=O)[O-])=C1	REAL300010849555	0	30	-2.0	-103.57	307.37	1.80	-101.77
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849555	1	31	-1.0	-48.78	308.82	2.17	-46.61
CC(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010849556	0	39	-1.0	-45.87	334.90	4.79	-41.08
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849557	0	32	-1.0	-48.30	304.09	4.03	-44.27
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849557	1	31	-2.0	-116.67	303.45	3.76	-112.91
CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010849558	0	32	-1.0	-48.76	302.41	3.65	-45.11
COC1=CC(F)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300010849559	0	32	-1.0	-48.86	292.25	2.47	-46.39
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C)C(=O)[O-])C(F)=C1	REAL300010849559	1	31	-2.0	-118.04	290.80	2.10	-115.94
CC(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010849560	0	32	-1.0	-51.46	298.94	2.53	-48.93
CC(CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010849561	0	31	-1.0	-47.19	282.95	4.44	-42.75
CC(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010849562	0	37	-1.0	-46.62	333.50	3.37	-43.25
CC(CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010849563	0	25	-1.0	-42.58	279.71	2.99	-39.59
CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010849563	1	24	-2.0	-102.43	277.01	2.60	-99.83
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849564	0	41	-1.0	-51.07	348.40	5.30	-45.77
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010849565	0	45	-1.0	-49.56	372.69	4.80	-44.76
CC(CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010849566	0	31	-1.0	-50.08	309.71	4.30	-45.78
CC(CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010849567	0	33	-1.0	-46.80	307.26	3.56	-43.24
CC(CNS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010849568	0	25	-1.0	-44.76	268.98	2.77	-41.99
CC(C[N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010849568	1	24	-2.0	-110.56	270.43	2.52	-108.04
CC(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010849569	0	39	-1.0	-52.44	344.68	5.81	-46.63
CC(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010849570	0	34	-1.0	-50.94	290.75	4.90	-46.04
CC(CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010849571	0	33	-1.0	-52.07	308.63	1.45	-50.62
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010849572	0	29	-1.0	-49.54	289.79	1.74	-47.80
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849573	0	39	-1.0	-48.02	337.12	4.51	-43.51
CCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C2CC2)=N1	REAL300010849574	0	38	-1.0	-49.12	314.87	3.01	-46.11
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010849575	0	32	-1.0	-54.63	292.64	2.27	-52.36
CC(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010849576	0	34	-1.0	-47.98	316.90	5.68	-42.30
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010849577	0	38	-1.0	-46.84	345.55	6.82	-40.02
COC(=O)C1=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C(Cl)S1	REAL300010849578	0	31	-1.0	-47.53	309.04	3.91	-43.62
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300010849579	0	34	-1.0	-45.99	313.30	4.77	-41.22
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849580	0	41	-1.0	-47.16	341.02	4.09	-43.07
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849581	0	42	-1.0	-49.27	351.35	3.24	-46.03
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010849582	0	34	-1.0	-50.45	300.79	5.18	-45.27
CC(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010849583	0	36	-1.0	-48.22	303.38	0.59	-47.63
CC(CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010849584	0	34	-1.0	-47.62	318.59	2.70	-44.92
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849585	0	42	-1.0	-53.20	363.18	3.17	-50.03
CC(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010849586	0	43	-1.0	-46.44	356.51	3.27	-43.17
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849587	0	31	-1.0	-46.28	289.35	0.59	-45.69
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010849588	0	27	-1.0	-44.63	281.96	0.86	-43.77
CC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010849589	0	38	-1.0	-45.88	316.89	0.67	-45.21
CC(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010849590	0	31	-1.0	-58.32	303.72	2.71	-55.61
CC(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010849591	0	25	-2.0	-112.56	266.63	0.36	-112.20
CC(CNS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010849591	1	26	-1.0	-47.97	263.19	0.86	-47.11
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849592	0	32	-1.0	-58.28	302.69	0.92	-57.36
CC(CNS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010849593	0	25	-1.0	-46.50	274.41	3.10	-43.40
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849594	0	32	-1.0	-45.93	295.26	3.33	-42.60
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010849595	0	30	-1.0	-47.57	288.89	1.99	-45.58
COC1=NC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1Cl	REAL300010849596	0	31	-1.0	-51.28	283.07	-0.30	-51.58
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849597	0	37	-1.0	-53.17	336.18	1.94	-51.23
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300010849597	1	36	-2.0	-96.49	332.07	0.80	-95.69
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849598	0	35	-1.0	-51.34	306.76	1.00	-50.34
CC(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849599	0	32	-1.0	-44.74	317.49	5.00	-39.74
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849600	0	33	-1.0	-48.53	307.40	5.14	-43.39
CC(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010849601	0	26	-2.0	-117.38	272.83	1.34	-116.04
CC(CNS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010849601	1	27	-1.0	-48.61	275.52	1.74	-46.87
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010849602	0	39	-1.0	-51.00	323.10	3.47	-47.53
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CN=C12	REAL300010849603	0	36	-1.0	-50.31	309.67	4.16	-46.15
COC(=O)C1=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300010849604	0	36	-1.0	-47.12	321.04	2.27	-44.85
CC(CNS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849605	0	31	-1.0	-50.89	291.60	4.75	-46.14
CC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010849606	0	35	-1.0	-48.66	309.86	4.15	-44.51
CC(CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010849607	0	35	-1.0	-47.97	314.12	5.09	-42.88
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=C1NCCC2	REAL300010849608	0	40	-1.0	-47.42	324.08	3.86	-43.56
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300010849609	0	42	-1.0	-48.40	363.06	6.46	-41.94
CC(CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010849610	0	35	-1.0	-49.28	315.78	5.14	-44.14
CC(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010849611	0	25	-1.0	-46.27	251.62	1.95	-44.32
CC(CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010849612	0	32	-1.0	-52.17	296.84	3.02	-49.15
CC1=CC(Br)=NC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849613	0	30	-1.0	-46.29	285.49	2.47	-43.82
CC1=CC=C(I)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849614	0	31	-1.0	-48.12	296.73	4.91	-43.21
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849615	0	37	-1.0	-51.44	322.17	4.69	-46.75
CC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010849616	0	39	-1.0	-48.44	337.96	6.99	-41.45
CC(CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010849617	0	31	-1.0	-50.48	283.88	3.50	-46.98
CC(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010849618	0	27	-1.0	-45.84	270.57	1.70	-44.14
CC(CNS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849619	0	30	-1.0	-51.69	276.06	2.41	-49.28
CC(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849619	1	29	-2.0	-122.38	278.89	1.84	-120.54
CC(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010849620	0	31	-1.0	-45.46	285.71	2.63	-42.83
CC(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010849621	0	36	-1.0	-53.13	312.89	-1.31	-54.44
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300010849622	0	30	-1.0	-45.07	289.32	2.08	-42.99
CC(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849623	0	26	-2.0	-110.02	280.86	1.92	-108.10
CC(CNS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010849623	1	27	-1.0	-47.37	281.49	2.27	-45.10
CC(CNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010849624	0	32	-1.0	-58.12	299.32	2.20	-55.92
CC(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010849625	0	32	-1.0	-46.71	303.26	4.59	-42.12
CC(CNS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010849626	0	37	-1.0	-53.63	333.54	2.45	-51.18
CC(CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010849627	0	35	-1.0	-49.11	308.59	5.22	-43.89
COC1=CC=C(I)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849628	0	32	-1.0	-48.08	304.20	3.44	-44.64
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010849629	0	31	-1.0	-50.11	289.06	3.99	-46.12
CC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010849630	0	32	-1.0	-46.25	298.86	2.43	-43.82
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300010849631	0	51	-1.0	-46.95	425.24	8.07	-38.88
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(F)F)=C1	REAL300010849632	0	35	-1.0	-46.62	305.38	3.52	-43.10
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(=O)OC	REAL300010849633	0	41	-1.0	-49.64	358.21	4.52	-45.12
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C1	REAL300010849634	0	41	-1.0	-48.69	353.04	5.39	-43.30
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849635	0	34	-1.0	-44.95	310.67	1.03	-43.92
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849636	0	34	-1.0	-46.41	319.84	4.92	-41.49
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849636	1	33	-2.0	-115.44	320.56	4.68	-110.76
COC(=O)C1=CC=NC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849637	0	33	-1.0	-50.27	294.27	2.60	-47.67
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300010849638	0	34	-1.0	-55.70	302.23	4.11	-51.59
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)C(=O)[O-]	REAL300010849638	1	33	-2.0	-132.72	305.40	4.14	-128.58
CC(CNS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010849639	0	28	-1.0	-45.84	275.00	4.16	-41.68
COC1=CC=C(I)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849640	0	32	-1.0	-48.08	304.20	3.44	-44.64
COC(=O)C1=NC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C=C1	REAL300010849641	0	39	-1.0	-51.80	350.88	3.91	-47.89
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300010849642	0	36	-1.0	-55.65	304.21	4.56	-51.09
CC(C[N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010849643	0	23	-2.0	-102.57	255.86	0.91	-101.66
CC(CNS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010849643	1	24	-1.0	-43.11	257.68	1.27	-41.84
CC(CNS(=O)(=O)C1=CC(N)=CC(Br)=C1)C(=O)[O-]	REAL300010849644	0	30	-1.0	-47.56	291.00	1.39	-46.17
CC(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010849645	0	35	-1.0	-52.60	319.08	3.51	-49.09
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300010849646	0	41	-1.0	-50.74	343.74	4.89	-45.85
CC(CNS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010849647	0	32	-2.0	-105.12	302.20	2.83	-102.29
CC(CNS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010849647	1	33	-1.0	-46.16	304.79	1.89	-44.27
CC(C)C(CNS(=O)(=O)C1=CC=CN=C1Cl)C(=O)[O-]	REAL300010849648	0	33	-1.0	-47.47	281.43	2.20	-45.27
CC(C)C(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010849649	0	34	-1.0	-48.23	313.72	4.69	-43.54
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300010849650	0	34	-1.0	-50.15	308.85	4.81	-45.34
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C	REAL300010849651	0	46	-1.0	-51.22	348.42	6.62	-44.60
COC(=O)CC1(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010849652	0	43	-1.0	-55.04	353.00	4.59	-50.45
COC(=O)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849653	0	40	-1.0	-58.24	336.40	5.60	-52.64
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849654	0	43	-1.0	-47.11	362.27	5.63	-41.48
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C(=O)[O-]	REAL300010849655	0	34	-1.0	-55.15	309.85	4.59	-50.56
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010849656	0	40	-1.0	-46.89	341.44	4.79	-42.10
CC(C)C(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300010849657	0	46	-1.0	-48.18	368.61	6.40	-41.78
CC(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849658	0	43	-1.0	-48.29	352.63	6.00	-42.29
CCC(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849659	0	46	-1.0	-48.16	371.08	6.67	-41.49
CC(C)C(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300010849660	0	45	-1.0	-52.57	387.97	2.07	-50.50
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C(=O)[O-]	REAL300010849661	0	38	-1.0	-47.47	321.67	0.86	-46.61
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849662	0	44	-1.0	-52.42	374.29	3.10	-49.32
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C(=O)[O-]	REAL300010849663	0	36	-1.0	-42.46	314.44	4.74	-37.72
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010849664	0	34	-1.0	-49.51	314.54	5.32	-44.19
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300010849665	0	31	-1.0	-51.54	301.97	3.69	-47.85
CCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849666	0	43	-1.0	-46.54	350.04	6.26	-40.28
COC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849667	0	38	-1.0	-50.62	305.71	3.88	-46.74
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010849668	0	34	-1.0	-43.45	307.51	4.68	-38.77
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Br	REAL300010849669	0	38	-1.0	-49.62	342.32	4.05	-45.57
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849670	0	45	-1.0	-60.90	369.88	2.78	-58.12
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010849671	0	34	-1.0	-50.84	298.69	3.93	-46.91
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F)C(=O)[O-]	REAL300010849671	1	33	-2.0	-124.55	308.86	3.88	-120.67
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010849672	0	34	-1.0	-44.52	325.86	5.11	-39.41
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300010849673	0	34	-1.0	-49.17	294.12	4.13	-45.04
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC(C(=O)OC)=C1	REAL300010849674	0	46	-1.0	-49.63	395.43	5.34	-44.29
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849675	0	46	-1.0	-62.92	386.73	6.20	-56.72
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010849676	0	33	-2.0	-132.71	293.57	3.99	-128.72
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010849676	1	34	-1.0	-50.65	294.44	4.32	-46.33
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)N=C1)C(=O)[O-]	REAL300010849677	0	33	-1.0	-51.19	304.88	2.70	-48.49
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300010849678	0	34	-1.0	-46.17	307.40	4.35	-41.82
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F)C(=O)[O-]	REAL300010849679	0	37	-1.0	-50.03	329.51	6.15	-43.88
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010849680	0	37	-1.0	-46.30	331.91	5.27	-41.03
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1NC(C)=O	REAL300010849681	0	45	-1.0	-58.99	376.48	2.40	-56.59
CC(C)C(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300010849682	0	38	-1.0	-45.41	338.40	3.87	-41.54
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300010849683	0	49	-1.0	-54.74	362.66	6.94	-47.80
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300010849684	0	43	-1.0	-48.02	348.75	3.99	-44.03
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010849685	0	39	-1.0	-52.89	336.63	5.27	-47.62
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)S1)C(=O)[O-]	REAL300010849686	0	31	-1.0	-51.57	306.61	3.79	-47.78
CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300010849687	0	40	-1.0	-47.08	348.42	6.44	-40.64
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849688	0	38	-1.0	-55.13	329.66	4.51	-50.62
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849689	0	52	-1.0	-53.50	395.33	7.90	-45.60
CC(C)C(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010849690	0	50	-1.0	-47.89	394.25	7.88	-40.01
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300010849691	0	37	-1.0	-45.85	331.16	5.06	-40.79
CC(C)C(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300010849692	0	44	-1.0	-55.09	355.72	6.56	-48.53
COC1=CC=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849693	0	42	-1.0	-60.70	342.99	3.19	-57.51
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OC	REAL300010849694	0	42	-1.0	-49.14	344.66	3.25	-45.89
CC(C)C(CNS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300010849695	0	44	-1.0	-50.75	389.64	3.67	-47.08
CC(C)C(CNS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300010849696	0	41	-1.0	-49.23	337.91	5.99	-43.24
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010849697	0	41	-1.0	-55.22	362.44	2.23	-52.99
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300010849698	0	42	-1.0	-52.42	342.32	6.46	-45.96
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010849699	0	34	-1.0	-52.65	292.52	3.87	-48.78
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=CC=C1F)C(=O)[O-]	REAL300010849699	1	33	-2.0	-123.35	296.96	3.84	-119.51
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849700	0	44	-1.0	-68.51	364.06	3.87	-64.64
CC(C)C(CNS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010849701	0	31	-1.0	-50.19	305.49	3.79	-46.40
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1)C(=O)[O-]	REAL300010849701	1	30	-2.0	-111.76	307.89	3.87	-107.89
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849702	0	49	-1.0	-46.44	389.10	7.55	-38.89
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010849703	0	40	-1.0	-50.82	326.58	6.37	-44.45
CC(C)C(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010849704	0	44	-1.0	-49.81	366.58	7.50	-42.31
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl)C(=O)[O-]	REAL300010849705	0	37	-1.0	-43.07	324.95	5.05	-38.02
CC1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849706	0	37	-1.0	-55.11	314.15	5.04	-50.07
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849707	0	34	-1.0	-44.76	331.24	5.82	-38.94
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010849707	1	33	-2.0	-115.23	325.39	5.52	-109.71
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849708	0	49	-1.0	-46.53	376.08	6.83	-39.70
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010849709	0	37	-1.0	-46.62	327.87	5.19	-41.43
CC(C)C(CNS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C(=O)[O-]	REAL300010849710	0	34	-1.0	-48.39	312.00	4.25	-44.14
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010849711	0	37	-1.0	-47.68	305.60	4.49	-43.19
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010849712	0	33	-2.0	-115.69	317.54	4.44	-111.25
CC(C)C(CNS(=O)(=O)C1=CC(F)=C(Br)C=C1F)C(=O)[O-]	REAL300010849712	1	34	-1.0	-50.73	318.26	4.50	-46.23
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C(=O)[O-]	REAL300010849713	0	37	-1.0	-52.32	324.86	4.81	-47.51
CC(C)C(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010849714	0	34	-1.0	-50.76	318.29	4.50	-46.26
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F)C(=O)[O-]	REAL300010849714	1	33	-2.0	-118.69	323.28	4.43	-114.26
CC(C)C(CNS(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010849715	0	34	-1.0	-48.32	298.82	3.93	-44.39
CC(C)C(C[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F)C(=O)[O-]	REAL300010849715	1	33	-2.0	-117.46	308.97	3.89	-113.57
CC(C)C(CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300010849716	0	35	-1.0	-52.27	303.21	2.80	-49.47
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010849717	0	37	-1.0	-46.24	319.13	4.78	-41.46
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849718	0	37	-1.0	-45.47	330.26	5.11	-40.36
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010849719	0	39	-1.0	-64.63	325.22	5.20	-59.43
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C(=O)[O-]	REAL300010849720	0	37	-1.0	-50.11	319.18	5.70	-44.41
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300010849721	0	45	-1.0	-47.03	398.09	7.50	-39.53
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1F)C(=O)[O-]	REAL300010849722	0	34	-1.0	-56.54	307.46	4.33	-52.21
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C=C1Br)C(=O)[O-]	REAL300010849723	0	34	-1.0	-43.14	307.23	4.83	-38.31
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849724	0	40	-1.0	-47.64	341.14	4.58	-43.06
CC1=CC=C(F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849725	0	37	-1.0	-57.65	312.69	4.50	-53.15
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010849726	0	38	-1.0	-50.54	328.12	3.46	-47.08
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010849727	0	37	-1.0	-46.73	319.13	4.78	-41.95
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010849728	0	33	-2.0	-121.06	299.97	4.06	-117.00
CC(C)C(CNS(=O)(=O)C1=C(F)C=C(F)C=C1F)C(=O)[O-]	REAL300010849728	1	34	-1.0	-46.56	307.32	4.42	-42.14
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010849729	0	34	-1.0	-46.54	319.42	4.74	-41.80
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300010849730	0	49	-1.0	-48.95	410.61	6.21	-42.74
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010849731	0	41	-1.0	-51.66	362.57	3.60	-48.06
CC(C)C(CNS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300010849732	0	45	-1.0	-52.02	344.97	4.51	-47.51
CC(C)OC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010849733	0	50	-1.0	-49.35	394.70	7.29	-42.06
CC(C)C(CNS(=O)(=O)CC1=CC=CC(C#N)=C1)C(=O)[O-]	REAL300010849734	0	38	-1.0	-59.60	332.46	5.16	-54.44
CC1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300010849735	0	37	-1.0	-47.89	326.67	5.87	-42.02
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010849736	0	37	-1.0	-46.82	348.08	5.75	-41.07
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010849737	0	44	-1.0	-52.38	361.78	5.78	-46.60
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010849738	0	41	-1.0	-46.80	335.49	1.48	-45.32
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(N)=O	REAL300010849739	0	42	-1.0	-50.55	347.74	1.43	-49.12
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849740	0	39	-1.0	-50.74	335.94	5.63	-45.11
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010849741	0	41	-1.0	-58.29	346.72	2.73	-55.56
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849742	0	39	-1.0	-53.62	331.09	5.40	-48.22
CC(C)C(CNS(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010849743	0	34	-1.0	-53.44	303.40	3.60	-49.84
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)N(C)C=N1)C(=O)[O-]	REAL300010849743	1	33	-2.0	-132.57	304.12	3.19	-129.38
CC1=CC(F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849744	0	37	-1.0	-46.44	320.23	4.81	-41.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849745	0	40	-1.0	-54.31	364.52	5.23	-49.08
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C=N1)C(=O)[O-]	REAL300010849746	0	33	-1.0	-54.01	307.43	2.96	-51.05
CC(C)C(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010849747	0	43	-1.0	-59.91	377.42	2.30	-57.61
CC(=O)NC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010849748	0	41	-1.0	-49.96	346.37	3.03	-46.93
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C21	REAL300010849749	0	48	-1.0	-59.63	384.03	5.66	-53.97
CC(C)C(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300010849750	0	39	-1.0	-58.35	341.38	0.10	-58.25
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300010849751	0	44	-1.0	-52.26	348.26	4.88	-47.38
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010849752	0	34	-1.0	-53.58	315.89	4.89	-48.69
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)C(C)(C)C2=C1)C(=O)[O-]	REAL300010849753	0	45	-1.0	-54.72	376.33	3.56	-51.16
CC(C)C(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010849754	0	37	-1.0	-55.60	332.91	5.40	-50.20
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C(Cl)=C1)C(=O)[O-]	REAL300010849755	0	34	-1.0	-46.09	328.54	5.15	-40.94
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849756	0	47	-1.0	-55.72	396.09	3.87	-51.85
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849757	0	48	-1.0	-64.09	395.73	2.90	-61.19
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849758	0	42	-1.0	-55.12	347.96	6.53	-48.59
CC(C)CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849759	0	46	-1.0	-48.16	373.56	6.76	-41.40
COCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849760	0	44	-1.0	-47.01	362.21	4.55	-42.46
COCCN(CCOC)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849761	0	46	-1.0	-53.78	364.93	1.23	-52.55
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849762	0	37	-1.0	-52.02	319.32	5.48	-46.54
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849763	0	50	-1.0	-47.75	404.33	6.41	-41.34
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300010849764	0	48	-1.0	-48.29	387.05	6.29	-42.00
CC(C)COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849765	0	47	-1.0	-47.90	385.37	5.80	-42.10
CCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849766	0	44	-1.0	-46.14	358.50	5.06	-41.08
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010849767	0	38	-1.0	-49.65	337.93	3.93	-45.72
CC(C)C(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010849768	0	38	-1.0	-47.37	341.20	4.18	-43.19
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010849769	0	41	-1.0	-46.93	335.49	4.09	-42.84
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300010849770	0	47	-1.0	-48.61	381.75	5.67	-42.94
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010849771	0	41	-1.0	-52.08	332.06	4.27	-47.81
COCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849772	0	45	-1.0	-48.81	370.63	3.53	-45.28
CC(C)C(CNS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300010849773	0	37	-1.0	-52.22	321.47	4.81	-47.41
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849774	0	45	-1.0	-57.68	376.68	3.71	-53.97
CC(C)C(CNS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300010849775	0	49	-1.0	-57.19	399.11	3.57	-53.62
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Br)=C1	REAL300010849776	0	37	-1.0	-46.38	322.20	5.43	-40.95
CC(C)C(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1Cl)C(=O)[O-]	REAL300010849777	0	40	-1.0	-63.00	355.38	1.65	-61.35
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849778	0	40	-1.0	-60.29	353.94	6.08	-54.21
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300010849779	0	39	-1.0	-50.51	333.37	4.46	-46.05
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849780	0	38	-1.0	-54.05	325.50	4.52	-49.53
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010849780	1	37	-2.0	-130.18	328.43	4.18	-126.00
CC1=CC(C#N)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849781	0	38	-1.0	-53.46	328.49	5.36	-48.10
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C=C1F)C(=O)[O-]	REAL300010849782	0	35	-1.0	-46.93	311.42	4.23	-42.70
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C#N)C(=O)[O-]	REAL300010849783	0	38	-1.0	-44.12	326.16	4.81	-39.31
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1OC	REAL300010849784	0	44	-1.0	-51.33	368.01	4.75	-46.58
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010849785	0	43	-1.0	-47.07	356.32	5.23	-41.84
COC(=O)CCN(C)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849786	0	41	-1.0	-47.86	346.73	2.96	-44.90
CC(C)C(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300010849787	0	44	-1.0	-60.65	363.70	-0.36	-61.01
CC(C)C(CNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300010849788	0	43	-1.0	-46.26	340.26	2.14	-44.12
CC(C)C(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C(=O)[O-]	REAL300010849789	0	43	-1.0	-59.18	361.08	4.14	-55.04
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=NN1C1=CC=CC=N1	REAL300010849790	0	43	-1.0	-52.83	365.72	5.41	-47.42
CCN1N=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C	REAL300010849791	0	43	-1.0	-54.34	352.43	4.02	-50.32
CC(C)C(CNS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300010849792	0	40	-1.0	-52.11	332.62	3.14	-48.97
CC(C)CN1C=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849793	0	43	-1.0	-58.61	352.42	5.02	-53.59
CC(C)C(CNS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300010849794	0	40	-1.0	-57.02	333.30	4.43	-52.59
CC(C)C1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1	REAL300010849795	0	40	-1.0	-52.79	327.70	2.65	-50.14
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300010849796	0	46	-1.0	-55.05	340.31	6.59	-48.46
CC(C)C(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300010849797	0	42	-1.0	-52.83	351.86	3.45	-49.38
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C(F)=C1Cl	REAL300010849798	0	40	-2.0	-132.95	368.91	3.50	-129.45
CC(C)C(CNS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C(=O)[O-]	REAL300010849799	0	41	-1.0	-53.70	357.36	5.36	-48.34
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1F	REAL300010849800	0	40	-1.0	-57.12	353.46	4.55	-52.57
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010849801	0	38	-1.0	-52.44	333.45	3.91	-48.53
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=NN1C1=CC=C(Cl)C=C1	REAL300010849802	0	44	-1.0	-51.55	383.78	6.14	-45.41
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(Br)O1	REAL300010849803	0	37	-1.0	-43.82	332.80	2.97	-40.85
COC(=O)C1=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(Br)O1	REAL300010849803	1	36	-2.0	-116.49	350.12	3.10	-113.39
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C(Br)S1	REAL300010849804	0	34	-1.0	-52.25	323.38	4.62	-47.63
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1	REAL300010849805	0	38	-1.0	-54.82	335.81	2.41	-52.41
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C(Cl)=C1)C(=O)[O-]	REAL300010849806	0	35	-1.0	-45.62	322.14	4.85	-40.77
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C	REAL300010849807	0	42	-1.0	-59.78	343.59	6.82	-52.96
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849808	0	40	-1.0	-58.14	349.39	4.78	-53.36
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849809	0	43	-1.0	-60.70	363.29	2.49	-58.21
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C=C1C(F)(F)F)C(=O)[O-]	REAL300010849810	0	38	-1.0	-54.60	338.65	6.05	-48.55
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C#N)=C1)C(=O)[O-]	REAL300010849811	0	35	-1.0	-42.89	322.15	4.85	-38.04
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849812	0	50	-1.0	-53.49	404.63	5.85	-47.64
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010849813	0	45	-1.0	-58.07	373.99	4.02	-54.05
CC(C)C(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010849814	0	46	-1.0	-50.83	394.65	1.89	-48.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849815	0	42	-1.0	-51.39	362.25	0.21	-51.18
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010849816	0	44	-1.0	-60.63	383.66	3.00	-57.63
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)O1	REAL300010849817	0	37	-1.0	-44.90	325.46	2.84	-42.06
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)O1	REAL300010849817	1	36	-2.0	-118.57	330.33	2.49	-116.08
COC(=O)C1=C(C)OC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849818	0	40	-1.0	-50.52	345.74	3.52	-47.00
CC1=NC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010849819	0	36	-1.0	-53.23	318.25	2.64	-50.59
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849820	0	35	-2.0	-138.06	311.61	5.42	-132.64
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849820	1	36	-1.0	-63.62	309.67	5.44	-58.18
CC(C)C(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300010849821	0	37	-1.0	-57.75	350.24	5.78	-51.97
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C)N1	REAL300010849822	0	47	-1.0	-51.65	381.92	4.72	-46.93
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010849823	0	34	-1.0	-49.82	302.77	4.87	-44.95
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Br)C(=O)[O-]	REAL300010849823	1	33	-2.0	-126.02	305.26	4.63	-121.39
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S2)=CS1	REAL300010849824	0	40	-1.0	-52.22	367.29	4.62	-47.60
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300010849825	0	54	-1.0	-48.46	426.98	7.69	-40.77
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1)C(=O)[O-]	REAL300010849826	0	44	-1.0	-54.45	383.19	3.63	-50.82
CC(C)C(CNS(=O)(=O)C1=CC=CC(I)=C1)C(=O)[O-]	REAL300010849827	0	34	-1.0	-47.97	320.20	5.17	-42.80
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849828	0	43	-1.0	-60.65	362.47	5.62	-55.03
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849829	0	36	-1.0	-56.28	326.65	6.07	-50.21
COC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OC	REAL300010849830	0	42	-1.0	-55.91	349.96	3.03	-52.88
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OC	REAL300010849831	0	45	-1.0	-53.54	361.33	4.18	-49.36
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849832	0	35	-2.0	-124.79	337.58	6.46	-118.33
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849832	1	36	-1.0	-55.50	341.53	6.80	-48.70
CC(C)C(CNS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C(=O)[O-]	REAL300010849833	0	37	-1.0	-50.01	325.44	4.95	-45.06
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010849834	0	35	-1.0	-46.94	301.83	3.90	-43.04
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010849835	0	35	-1.0	-46.90	312.17	4.36	-42.54
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Br	REAL300010849836	0	37	-1.0	-46.66	331.91	5.27	-41.39
CC1=C(F)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849837	0	37	-1.0	-50.31	308.56	4.89	-45.42
COC(=O)CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010849838	0	40	-1.0	-62.50	352.35	2.83	-59.67
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300010849839	0	40	-1.0	-46.19	340.95	6.79	-39.40
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300010849840	0	39	-1.0	-48.15	341.01	6.30	-41.85
CC1=C(Br)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849841	0	34	-1.0	-51.40	326.20	4.39	-47.01
CC(C)C(CNS(=O)(=O)C1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010849842	0	38	-1.0	-53.19	334.65	5.25	-47.94
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC(F)=C1F	REAL300010849843	0	40	-1.0	-48.16	353.47	4.80	-43.36
CC(C)C(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300010849844	0	52	-1.0	-46.27	379.51	5.75	-40.52
CC1=NC2=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300010849845	0	42	-1.0	-62.86	341.07	5.73	-57.13
CC(C)C(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300010849846	0	45	-1.0	-52.32	365.00	2.60	-49.72
CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Br	REAL300010849847	0	37	-1.0	-56.06	327.69	5.39	-50.67
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849848	0	40	-1.0	-59.82	351.74	5.21	-54.61
CC(C)C(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300010849849	0	42	-1.0	-49.87	350.44	1.82	-48.05
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010849850	0	40	-1.0	-47.98	347.93	4.83	-43.15
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849851	0	40	-1.0	-52.02	341.65	5.98	-46.04
COCCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010849852	0	41	-1.0	-54.98	352.76	1.68	-53.30
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010849853	0	47	-1.0	-51.98	383.57	6.70	-45.28
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849854	0	44	-1.0	-60.08	355.89	5.46	-54.62
CC(C)C(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300010849855	0	39	-1.0	-60.95	340.68	4.26	-56.69
CC(C)C(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010849856	0	41	-1.0	-55.46	353.57	5.19	-50.27
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010849857	0	36	-1.0	-42.94	330.33	5.17	-37.77
CC(C)C(CNS(=O)(=O)C1=CC=CC(F)=C1C#N)C(=O)[O-]	REAL300010849858	0	35	-1.0	-59.40	299.35	3.83	-55.57
CCOCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849859	0	48	-1.0	-50.76	399.25	4.54	-46.22
CCCCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849860	0	50	-1.0	-45.91	401.50	6.63	-39.28
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849861	0	36	-1.0	-61.64	317.60	5.96	-55.68
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849861	1	35	-2.0	-135.63	324.47	5.93	-129.70
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010849862	0	40	-1.0	-49.91	351.74	4.75	-45.16
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(Cl)C=C1Cl	REAL300010849863	0	40	-1.0	-51.28	361.91	5.15	-46.13
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849864	0	44	-1.0	-60.33	363.02	4.53	-55.80
COC(=O)C1=CSC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849865	0	37	-1.0	-55.79	341.05	3.74	-52.05
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849866	0	46	-1.0	-48.66	378.71	6.14	-42.52
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C	REAL300010849867	0	43	-1.0	-48.23	363.24	5.26	-42.97
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849868	0	40	-1.0	-56.71	340.85	4.45	-52.26
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300010849869	0	44	-1.0	-46.40	338.63	6.63	-39.77
CC(C)C(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849870	0	40	-1.0	-50.58	334.01	5.86	-44.72
CC(C)C(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010849871	0	33	-1.0	-47.73	304.16	2.86	-44.87
CC(C)C(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300010849872	0	38	-1.0	-45.39	348.79	5.54	-39.85
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(Br)=C1)C(=O)[O-]	REAL300010849873	0	34	-1.0	-46.44	319.41	4.74	-41.70
CC(C)C(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300010849874	0	41	-1.0	-66.32	352.47	1.92	-64.40
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849875	0	37	-1.0	-52.61	326.45	5.37	-47.24
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010849876	0	38	-1.0	-44.88	335.85	4.01	-40.87
CC(C)C(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300010849877	0	45	-1.0	-54.43	370.47	5.32	-49.11
CC(C)C(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300010849878	0	42	-1.0	-49.93	371.36	0.86	-49.07
CCC(=O)NCC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1OC	REAL300010849879	0	51	-1.0	-50.64	416.84	3.21	-47.43
COC1=CC=C(Br)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849880	0	38	-1.0	-56.37	338.97	4.12	-52.25
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849881	0	43	-1.0	-50.88	368.09	2.47	-48.41
CC(C)C(CNS(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1)C(=O)[O-]	REAL300010849882	0	36	-1.0	-48.75	336.13	3.97	-44.78
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849883	0	39	-1.0	-60.31	330.70	4.51	-55.80
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC(C#N)=C1)C(=O)[O-]	REAL300010849884	0	35	-1.0	-49.06	329.95	5.07	-43.99
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Br	REAL300010849885	0	41	-1.0	-49.34	364.17	4.97	-44.37
CC(C)C(CNS(=O)(=O)C1=CN=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010849886	0	39	-1.0	-50.04	338.52	-0.48	-50.52
CC(C)C(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300010849887	0	48	-1.0	-53.58	406.01	6.03	-47.55
COC(=O)CC1(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010849888	0	43	-1.0	-55.04	353.00	4.59	-50.45
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849889	0	39	-1.0	-52.13	342.32	4.13	-48.00
CC(C)C(CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300010849890	0	39	-1.0	-51.68	323.81	3.36	-48.32
CC(C)C(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300010849891	0	42	-1.0	-57.51	356.05	5.32	-52.19
CC(C)C(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300010849892	0	40	-1.0	-54.62	336.34	0.52	-54.10
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)N(C)C(=O)N2C)C(=O)[O-]	REAL300010849893	0	44	-1.0	-56.88	373.26	4.98	-51.90
CC(C)C(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300010849894	0	39	-1.0	-56.21	336.12	4.24	-51.97
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010849895	0	44	-1.0	-51.77	353.92	5.19	-46.58
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849896	0	42	-1.0	-52.69	369.03	0.23	-52.46
CC(C)C(CNS(=O)(=O)CCS(C)(=O)=O)C(=O)[O-]	REAL300010849897	0	36	-1.0	-64.59	320.49	-0.68	-65.27
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849898	0	43	-1.0	-58.31	360.01	5.65	-52.66
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300010849899	0	38	-1.0	-52.01	322.69	4.17	-47.84
CSC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849900	0	38	-1.0	-46.99	325.84	5.06	-41.93
CCCOC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849901	0	46	-1.0	-46.84	383.76	6.42	-40.42
CC(C)C(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849902	0	40	-1.0	-57.55	350.67	5.79	-51.76
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849903	0	45	-1.0	-57.74	362.92	5.85	-51.89
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)N=C1Cl)C(=O)[O-]	REAL300010849904	0	33	-1.0	-44.08	298.32	2.62	-41.46
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300010849905	0	40	-1.0	-56.30	318.13	3.47	-52.83
CC(C)C(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300010849906	0	39	-1.0	-48.12	320.43	4.47	-43.65
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849907	0	37	-1.0	-51.90	323.89	5.58	-46.32
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1)C(=O)[O-]	REAL300010849908	0	42	-1.0	-56.59	352.84	3.25	-53.34
CC(C)C(CNS(=O)(=O)C1=CC=C(NC(=O)C(C)(C)C)C=C1)C(=O)[O-]	REAL300010849909	0	50	-1.0	-54.51	407.52	5.00	-49.51
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OCC	REAL300010849910	0	48	-1.0	-49.43	394.84	5.13	-44.30
CC(C)C(CNS(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010849911	0	40	-1.0	-61.51	338.98	3.10	-58.41
CC(C)C(C[N-]S(=O)(=O)C1=CN(C)C(=O)N(C)C1=O)C(=O)[O-]	REAL300010849911	1	39	-2.0	-135.67	337.36	2.71	-132.96
CC1=NN(C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849912	0	40	-1.0	-52.51	324.54	3.09	-49.42
CC(C)C(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300010849913	0	39	-1.0	-53.67	346.58	-0.96	-54.63
CC(C)C(CNS(=O)(=O)C1=CC=C(N2CCCC2=O)C=C1)C(=O)[O-]	REAL300010849914	0	45	-1.0	-54.01	370.22	5.20	-48.81
CC(=O)N1CCCC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C21	REAL300010849915	0	48	-1.0	-59.49	379.74	5.65	-53.84
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1C	REAL300010849916	0	42	-1.0	-41.81	344.38	6.12	-35.69
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849917	0	40	-1.0	-49.05	347.16	4.74	-44.31
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C21	REAL300010849918	0	45	-1.0	-59.03	366.75	5.08	-53.95
CNC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849919	0	41	-1.0	-53.37	348.82	2.36	-51.01
CC(C)C(CNS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)[O-]	REAL300010849920	0	38	-1.0	-51.74	320.15	0.82	-50.92
CC(=O)N1C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2CC1C	REAL300010849921	0	48	-1.0	-56.77	379.33	5.61	-51.16
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CS1	REAL300010849922	0	37	-1.0	-53.15	324.07	4.42	-48.73
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010849923	0	37	-1.0	-50.06	335.70	3.82	-46.24
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849924	0	38	-1.0	-48.25	349.06	5.26	-42.99
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849925	0	40	-1.0	-56.56	337.90	2.61	-53.95
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010849925	1	39	-2.0	-139.55	339.76	2.19	-137.36
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)C(=O)NC2=C1)C(=O)[O-]	REAL300010849926	0	40	-1.0	-51.00	348.96	1.07	-49.93
CC(C)C(CNS(=O)(=O)C1=CC=C2OCC(=O)NC2=C1)C(=O)[O-]	REAL300010849927	0	40	-1.0	-48.43	336.66	1.28	-47.15
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1Cl)NC(=O)CO2)C(=O)[O-]	REAL300010849928	0	40	-1.0	-55.40	345.34	1.35	-54.05
CC1=CC2=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C2N=C1	REAL300010849929	0	42	-1.0	-64.20	346.57	5.84	-58.36
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300010849930	0	40	-1.0	-56.64	330.85	4.79	-51.85
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849931	0	38	-1.0	-48.58	329.65	4.43	-44.15
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010849932	0	38	-1.0	-48.87	328.62	4.39	-44.48
CC(C)C(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010849933	0	39	-1.0	-57.15	346.59	-0.97	-58.12
COC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849934	0	40	-1.0	-54.44	347.21	4.73	-49.71
CC(C)C(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300010849935	0	46	-1.0	-55.37	394.94	1.89	-53.48
CC(C)C(CNS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010849936	0	39	-1.0	-57.72	339.82	5.44	-52.28
CC(C)C(CNS(=O)(=O)CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010849937	0	37	-1.0	-58.82	323.17	4.86	-53.96
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Cl)=C1	REAL300010849938	0	37	-1.0	-47.00	307.63	4.72	-42.28
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)NC(=O)C2=C1)C(=O)[O-]	REAL300010849939	0	40	-1.0	-47.67	341.42	0.43	-47.24
CC(C)C(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300010849940	0	40	-1.0	-56.73	353.09	1.59	-55.14
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=O)N(C)C(=O)C2=C1)C(=O)[O-]	REAL300010849941	0	41	-1.0	-47.34	358.04	3.33	-44.01
CC(C)C(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010849942	0	42	-1.0	-54.80	355.64	5.64	-49.16
CC1=CC(F)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849943	0	37	-1.0	-51.95	314.11	5.04	-46.91
CC(C)C(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300010849944	0	43	-1.0	-51.31	340.16	5.19	-46.12
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010849945	0	42	-1.0	-48.38	340.55	5.30	-43.08
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2C)C(=O)[O-]	REAL300010849946	0	40	-1.0	-57.49	347.14	4.02	-53.47
CC(C)C(CNS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1)C(=O)[O-]	REAL300010849947	0	39	-1.0	-49.63	333.62	5.55	-44.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010849948	0	42	-1.0	-61.82	348.94	6.76	-55.06
CCOC(=O)C1CCCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300010849949	0	48	-1.0	-50.10	380.48	4.76	-45.34
CC(C)C(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300010849950	0	38	-1.0	-47.70	338.41	3.88	-43.82
CC(C)C(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300010849951	0	45	-1.0	-54.96	381.49	2.05	-52.91
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010849952	0	34	-1.0	-43.43	292.59	4.13	-39.30
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849953	0	36	-1.0	-56.06	322.08	6.06	-50.00
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849953	1	35	-2.0	-133.97	326.06	5.82	-128.15
CC(C)C(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010849954	0	46	-1.0	-52.06	371.86	3.39	-48.67
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010849955	0	44	-1.0	-55.94	345.73	7.05	-48.89
CC(C)C(CNS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300010849956	0	45	-1.0	-44.20	333.07	4.28	-39.92
CCOC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849957	0	43	-1.0	-54.21	369.06	5.65	-48.56
CCOC(=O)N1CCC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010849958	0	48	-1.0	-43.42	376.03	3.70	-39.72
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010849959	0	34	-1.0	-44.32	302.36	4.56	-39.76
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010849960	0	34	-1.0	-44.24	306.92	4.66	-39.58
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010849961	0	36	-1.0	-46.08	320.63	4.75	-41.33
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010849962	0	40	-1.0	-48.80	331.88	6.33	-42.47
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849963	0	41	-1.0	-55.51	348.73	2.96	-52.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849964	0	39	-1.0	-57.53	335.98	5.65	-51.88
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849965	0	38	-1.0	-47.29	315.13	3.34	-43.95
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010849966	0	36	-1.0	-61.70	309.81	5.57	-56.13
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849967	0	41	-1.0	-58.04	355.74	5.42	-52.62
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849968	0	41	-1.0	-47.11	336.99	4.26	-42.85
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010849969	0	34	-1.0	-44.13	290.59	3.88	-40.25
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC(F)=C1)C(=O)[O-]	REAL300010849970	0	34	-1.0	-44.74	305.21	4.22	-40.52
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300010849971	0	40	-1.0	-49.84	336.89	3.24	-46.60
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010849972	0	43	-1.0	-50.81	335.94	6.22	-44.59
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849973	0	49	-1.0	-56.06	383.96	7.30	-48.76
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010849974	0	34	-1.0	-46.20	324.32	5.05	-41.15
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(F)=C1)C(=O)[O-]	REAL300010849975	0	34	-1.0	-45.46	298.63	4.17	-41.29
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1Cl)C(=O)[O-]	REAL300010849976	0	34	-1.0	-53.65	311.40	4.64	-49.01
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849977	0	37	-1.0	-47.47	325.00	5.06	-42.41
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010849978	0	37	-1.0	-58.03	317.97	5.64	-52.39
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010849979	0	37	-1.0	-45.17	337.83	5.47	-39.70
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010849980	0	34	-1.0	-48.31	309.15	4.58	-43.73
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C(=O)[O-]	REAL300010849981	0	37	-1.0	-50.94	328.26	5.11	-45.83
CC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849982	0	39	-1.0	-52.05	333.65	4.48	-47.57
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010849983	0	34	-1.0	-46.39	315.00	4.64	-41.75
CC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849984	0	39	-1.0	-57.78	332.91	4.46	-53.32
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2)=CO1	REAL300010849985	0	43	-1.0	-58.11	369.40	3.14	-54.97
CC(C)C(CNS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300010849986	0	33	-1.0	-48.50	320.07	3.15	-45.35
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010849987	0	37	-1.0	-53.29	317.61	4.44	-48.85
CC(C)C(C[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300010849987	1	36	-2.0	-129.58	314.81	4.11	-125.47
COC1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849988	0	38	-1.0	-54.10	318.98	3.40	-50.70
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C2S1	REAL300010849989	0	43	-1.0	-58.12	379.11	6.78	-51.34
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010849990	0	43	-1.0	-51.19	362.59	5.48	-45.71
CC(C)C(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010849991	0	41	-1.0	-55.29	326.90	5.61	-49.68
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N2)C=C1	REAL300010849992	0	44	-1.0	-54.63	374.98	5.85	-48.78
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C21	REAL300010849993	0	45	-1.0	-60.07	372.91	5.20	-54.87
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1C#N)C(=O)[O-]	REAL300010849994	0	35	-1.0	-61.08	314.00	4.23	-56.85
CC1=CC=C(C#N)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010849995	0	38	-1.0	-54.42	323.35	5.35	-49.07
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(=O)N(C)C	REAL300010849996	0	48	-1.0	-51.03	395.03	3.59	-47.44
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300010849997	0	42	-1.0	-50.50	361.62	5.17	-45.33
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300010849998	0	39	-1.0	-43.49	327.98	5.20	-38.29
COC(=O)C1=COC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010849999	0	37	-1.0	-49.98	325.80	2.78	-47.20
COC(=O)C1=COC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010849999	1	36	-2.0	-121.36	324.93	2.45	-118.91
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850000	0	45	-1.0	-52.10	373.66	4.80	-47.30
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300010850228	0	41	-1.0	-50.90	337.06	4.30	-46.60
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010850229	0	41	-1.0	-49.80	350.02	4.58	-45.22
COC(=O)C1CCCCC1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850230	0	46	-1.0	-59.62	364.25	5.72	-53.90
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850231	0	49	-1.0	-54.58	391.35	5.52	-49.06
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850232	0	42	-1.0	-52.30	364.63	6.24	-46.06
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850233	0	41	-1.0	-55.51	348.73	2.96	-52.55
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850234	0	42	-1.0	-50.50	351.02	6.15	-44.35
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010850235	0	39	-1.0	-55.83	336.38	4.47	-51.36
CC(C)C(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010850236	0	34	-1.0	-45.81	320.17	5.18	-40.63
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850237	0	36	-1.0	-61.70	309.81	5.57	-56.13
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850238	0	31	-1.0	-43.26	290.30	2.77	-40.49
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850238	1	30	-2.0	-115.79	290.00	2.41	-113.38
CC(C)C(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010850239	0	44	-1.0	-53.90	347.42	4.96	-48.94
CC(C)C(CNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010850240	0	46	-1.0	-55.55	337.69	5.57	-49.98
CC(C)C(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850241	0	36	-1.0	-52.41	320.63	4.74	-47.67
COC1=CC(Br)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850242	0	38	-1.0	-50.35	338.64	3.98	-46.37
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1C	REAL300010850243	0	44	-1.0	-54.49	368.96	5.07	-49.42
CC(C)C(CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010850244	0	47	-1.0	-56.07	404.00	5.16	-50.91
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C12	REAL300010850245	0	41	-1.0	-52.57	354.24	1.78	-50.79
CCC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850246	0	36	-1.0	-47.73	322.43	2.66	-45.07
CC(C)C(CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010850247	0	46	-1.0	-50.93	376.79	5.51	-45.42
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010850248	0	34	-1.0	-49.86	300.62	4.78	-45.08
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010850248	1	33	-2.0	-127.54	301.68	4.49	-123.05
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Cl)=N1	REAL300010850249	0	36	-1.0	-49.67	310.88	2.87	-46.80
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850250	0	39	-1.0	-47.76	326.21	4.28	-43.48
CC(C)C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010850251	0	41	-1.0	-53.70	345.11	5.74	-47.96
CSC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850252	0	38	-1.0	-47.78	341.13	5.52	-42.26
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850253	0	36	-1.0	-50.25	327.15	4.44	-45.81
CC(C)C(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010850254	0	44	-1.0	-68.75	376.06	0.62	-68.13
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN=C1Cl	REAL300010850255	0	37	-1.0	-47.47	328.68	2.02	-45.45
CC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850256	0	39	-1.0	-52.05	333.65	4.48	-47.57
CCN1C(=O)OC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C21	REAL300010850257	0	43	-1.0	-57.43	368.94	5.03	-52.40
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010850258	0	49	-1.0	-48.56	406.16	4.51	-44.05
CC(C)C(CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850259	0	33	-1.0	-49.45	313.58	3.82	-45.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850260	0	52	0.0	-84.19	409.47	5.27	-78.92
CCC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850261	0	43	-1.0	-56.54	354.49	6.21	-50.33
CC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850262	0	40	-1.0	-49.76	342.88	5.49	-44.27
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850263	0	37	-1.0	-49.33	323.85	5.57	-43.76
CC(C)C(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010850264	0	38	-1.0	-58.76	323.85	4.08	-54.68
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010850265	0	34	-1.0	-44.06	305.48	4.44	-39.62
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850266	0	42	-1.0	-56.08	346.39	4.60	-51.48
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010850267	0	43	-1.0	-48.60	354.45	5.50	-43.10
CC1=CC=CC(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850268	0	37	-1.0	-54.99	302.14	4.80	-50.19
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850269	0	48	-1.0	-62.02	406.32	5.18	-56.84
CC(C)C(CNS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010850270	0	38	-1.0	-51.60	305.98	3.20	-48.40
CC(C)C(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010850271	0	35	-1.0	-55.81	315.46	4.51	-51.30
CC1=NC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)=CS1	REAL300010850272	0	36	-1.0	-50.16	322.75	2.47	-47.69
CC(C)C(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010850273	0	37	-1.0	-53.99	331.80	3.11	-50.88
COC(=O)CCCCCS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850274	0	45	-1.0	-50.18	369.73	4.90	-45.28
CC(C)C(CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010850275	0	39	-1.0	-53.84	337.35	3.19	-50.65
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850276	0	42	-1.0	-52.60	359.57	2.29	-50.31
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010850278	0	37	-1.0	-44.80	347.88	5.60	-39.20
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850279	0	45	-1.0	-48.68	347.23	2.16	-46.52
COC1=C(F)C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850280	0	40	-1.0	-47.31	351.32	4.89	-42.42
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850281	0	44	-1.0	-46.68	383.11	3.43	-43.25
COC1=CC=C(CCS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850282	0	44	-1.0	-49.74	367.16	4.87	-44.87
CC(C)C(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010850283	0	37	-1.0	-54.28	325.77	2.94	-51.34
CC(C)C(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010850284	0	45	-1.0	-56.60	369.00	5.40	-51.20
CC1=CC=NC2=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010850285	0	42	-1.0	-61.62	338.05	5.71	-55.91
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010850286	0	37	-1.0	-49.50	318.11	4.92	-44.58
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010850287	0	37	-1.0	-43.69	322.92	4.82	-38.87
CC1=CC(Br)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850288	0	37	-1.0	-44.41	328.64	5.33	-39.08
CSC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850289	0	38	-1.0	-50.17	308.56	4.26	-45.91
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010850290	0	45	-1.0	-55.97	365.71	4.08	-51.89
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010850291	0	46	-1.0	-66.02	373.43	3.35	-62.67
CC(C)C(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010850292	0	42	-1.0	-49.66	361.84	5.34	-44.32
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850293	0	44	-1.0	-46.68	383.11	3.43	-43.25
CC(C)C(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010850294	0	42	-1.0	-48.79	338.44	4.46	-44.33
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010850295	0	37	-1.0	-45.16	332.28	5.33	-39.83
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(OC)=C1	REAL300010850296	0	44	-1.0	-50.68	367.61	4.55	-46.13
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=CS1	REAL300010850297	0	40	-1.0	-58.03	342.66	5.31	-52.72
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1F	REAL300010850298	0	38	-1.0	-45.16	321.66	3.42	-41.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850299	0	45	-1.0	-61.73	383.20	4.24	-57.49
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850300	0	48	-1.0	-58.18	405.29	5.30	-52.88
CC(C)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850301	0	43	-1.0	-48.19	346.34	6.17	-42.02
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010850302	0	48	-1.0	-56.86	394.51	7.43	-49.43
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850303	0	42	-1.0	-58.70	360.24	6.22	-52.48
CC(C)C(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010850304	0	46	0.0	-72.21	364.01	5.94	-66.27
CC(C)C(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010850305	0	42	-1.0	-48.67	338.14	4.46	-44.21
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C2O1	REAL300010850306	0	49	-1.0	-51.00	411.56	6.73	-44.27
CC(C)C(CNS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010850307	0	37	-1.0	-47.54	327.89	4.66	-42.88
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850308	0	46	-1.0	-60.28	384.33	6.55	-53.73
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010850309	0	34	-1.0	-51.74	316.70	4.66	-47.08
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010850309	1	33	-2.0	-114.34	320.06	4.84	-109.50
CC1=C(Cl)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850310	0	34	-1.0	-51.32	321.98	4.29	-47.03
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010850311	0	40	-1.0	-55.09	338.71	4.58	-50.51
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850312	0	38	-1.0	-47.22	313.66	3.11	-44.11
CC1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300010850313	0	42	-1.0	-60.82	348.57	7.05	-53.77
CC(C)C(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010850314	0	40	-1.0	-48.97	353.42	5.88	-43.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300010850315	0	44	-1.0	-43.42	378.00	7.05	-36.37
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850316	0	37	-1.0	-51.15	334.70	5.64	-45.51
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010850317	0	39	-1.0	-55.16	334.19	4.44	-50.72
CC1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850318	0	40	-1.0	-52.05	342.89	5.49	-46.56
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850319	0	42	-1.0	-58.13	351.74	6.15	-51.98
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010850320	0	34	-1.0	-54.13	324.32	5.25	-48.88
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300010850321	0	44	-1.0	-43.42	378.00	7.05	-36.37
CC(C)C(CNS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010850322	0	33	-1.0	-48.46	310.73	2.75	-45.71
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010850323	0	34	-1.0	-46.25	328.54	5.15	-41.10
CC(C)C(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010850324	0	45	-1.0	-48.85	384.38	3.88	-44.97
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010850325	0	33	-2.0	-123.18	311.87	4.11	-119.07
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850326	0	44	-1.0	-58.43	351.98	5.64	-52.79
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850327	0	37	-1.0	-52.16	320.19	0.75	-51.41
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C#N	REAL300010850328	0	38	-1.0	-46.72	332.39	4.96	-41.76
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850329	0	40	-1.0	-51.16	351.73	4.76	-46.40
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850330	0	38	-1.0	-55.22	325.10	4.40	-50.82
CC(C)C(CNS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010850331	0	35	-1.0	-50.06	319.90	2.84	-47.22
CC(C)C(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010850332	0	47	-1.0	-47.33	374.67	7.34	-39.99
CC(C)C(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010850333	0	45	-1.0	-50.02	367.80	4.78	-45.24
CC(C)C(CNC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010850334	0	51	-1.0	-46.11	383.55	10.35	-35.76
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010850335	0	48	-1.0	-51.34	386.81	6.28	-45.06
COC1=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850336	0	41	-1.0	-55.15	332.07	4.26	-50.89
COC(=O)C1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850337	0	39	-1.0	-51.35	337.80	2.91	-48.44
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010850338	0	35	-1.0	-45.57	326.42	4.95	-40.62
CC(C)C(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850339	0	36	-1.0	-49.89	335.37	5.16	-44.73
CC(C)C(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850339	1	35	-2.0	-106.06	338.80	5.32	-100.74
COC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850340	0	41	-1.0	-51.89	348.90	4.70	-47.19
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850341	0	40	-1.0	-51.53	366.95	4.72	-46.81
CC(C)C(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010850342	0	41	-1.0	-55.58	342.35	3.78	-51.80
COC1=CC(Cl)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OC	REAL300010850343	0	42	-1.0	-54.81	353.35	3.33	-51.48
CC(C)C(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010850344	0	38	-1.0	-49.58	337.88	3.72	-45.86
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010850345	0	37	-1.0	-42.19	330.25	5.11	-37.08
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850346	0	45	-1.0	-51.05	376.29	0.97	-50.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C2S1	REAL300010850347	0	46	-1.0	-46.59	400.55	7.08	-39.51
CC(C)C(CNS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010850348	0	38	-1.0	-50.80	328.16	5.21	-45.59
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010850349	0	40	-1.0	-53.00	343.13	3.49	-49.51
CC(C)C(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010850350	0	39	-1.0	-59.74	349.78	-0.32	-60.06
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850351	0	40	-1.0	-48.75	345.38	4.49	-44.26
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850352	0	42	-1.0	-63.02	357.68	5.40	-57.62
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Br)=C1	REAL300010850353	0	38	-1.0	-50.03	338.32	4.11	-45.92
CC1=CC2=C(C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C)OCO2	REAL300010850354	0	40	-1.0	-54.75	333.70	3.65	-51.10
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850355	0	40	-1.0	-54.21	335.13	5.17	-49.04
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850356	0	34	-1.0	-43.51	302.96	4.58	-38.93
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850357	0	40	-1.0	-48.04	320.35	5.63	-42.41
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010850358	0	34	-1.0	-53.27	326.23	5.35	-47.92
COC1=CC2=C(C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C)OCC(=O)N2	REAL300010850359	0	44	-1.0	-56.94	359.04	1.11	-55.83
CC(C)C(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010850360	0	35	-2.0	-114.17	335.52	4.92	-109.25
CC(C)C(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010850360	1	36	-1.0	-43.94	335.07	5.01	-38.93
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010850361	0	32	-1.0	-52.53	305.51	3.62	-48.91
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010850362	0	36	-1.0	-49.23	331.94	4.87	-44.36
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010850362	1	35	-2.0	-110.15	331.21	4.82	-105.33
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010850363	0	34	-1.0	-42.64	314.41	5.36	-37.28
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010850363	1	33	-2.0	-117.51	320.81	5.08	-112.43
CC(C)C(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010850364	0	35	-1.0	-57.71	306.19	2.44	-55.27
COC1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850365	0	37	-1.0	-53.42	317.58	1.53	-51.89
CC(C)C(CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010850366	0	34	-1.0	-56.24	311.88	4.43	-51.81
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1OC	REAL300010850367	0	44	-1.0	-49.87	374.49	4.78	-45.09
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010850368	0	34	-1.0	-43.13	317.55	5.27	-37.86
CC(C)C(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010850369	0	37	-1.0	-59.38	333.49	5.30	-54.08
CC(=O)NC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850370	0	37	-1.0	-55.37	330.59	1.55	-53.82
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850370	1	36	-2.0	-98.96	334.08	0.44	-98.52
CC(C)C(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010850371	0	37	-1.0	-59.41	338.06	5.40	-54.01
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010850372	0	38	-1.0	-56.44	339.10	1.35	-55.09
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850373	0	43	-1.0	-58.69	358.26	6.52	-52.17
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850374	0	42	-1.0	-48.97	316.08	1.89	-47.08
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010850375	0	38	-1.0	-56.28	343.67	1.45	-54.83
CCOC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850376	0	41	-1.0	-49.97	337.29	4.27	-45.70
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010850377	0	45	-1.0	-61.64	363.95	5.33	-56.31
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010850378	0	38	-1.0	-45.13	349.07	5.27	-39.86
COCCN(CCC#N)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850379	0	43	-1.0	-57.60	351.51	2.53	-55.07
CC1=CC=C(CCS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850380	0	43	-1.0	-48.40	359.06	6.25	-42.15
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850381	0	41	-1.0	-48.11	355.61	4.61	-43.50
CC(C)C(CNS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010850382	0	38	-1.0	-54.40	322.72	1.29	-53.11
CCN(CC(C)C#N)S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850383	0	42	-1.0	-56.09	338.43	4.09	-52.00
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010850384	0	37	-1.0	-56.60	306.76	2.56	-54.04
CC(C)C(CNS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010850385	0	35	-1.0	-60.54	318.27	4.31	-56.23
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010850386	0	35	-1.0	-55.75	314.70	4.41	-51.34
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850387	0	40	-1.0	-51.49	346.46	5.96	-45.53
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010850388	0	40	-1.0	-58.70	337.61	5.09	-53.61
COCCOCCOCCS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850389	0	48	-1.0	-58.21	395.50	1.39	-56.82
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850390	0	44	-1.0	-64.50	369.06	1.40	-63.10
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010850391	0	33	-2.0	-125.26	313.16	4.55	-120.71
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010850391	1	34	-1.0	-45.74	308.27	4.90	-40.84
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2CC1	REAL300010850392	0	51	-1.0	-56.74	400.58	6.01	-50.73
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300010850393	0	43	-1.0	-51.03	377.35	5.55	-45.48
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1OC	REAL300010850394	0	44	-1.0	-49.91	378.49	5.62	-44.29
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850395	0	43	-1.0	-53.48	353.90	6.32	-47.16
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850396	0	43	-1.0	-55.74	354.89	6.04	-49.70
CC(C)C(CNC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010850397	0	41	-1.0	-53.97	330.28	2.69	-51.28
CNC(=O)C1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850398	0	44	-1.0	-64.35	373.24	3.06	-61.29
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010850399	0	34	-1.0	-54.99	308.00	4.35	-50.64
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010850399	1	33	-2.0	-123.82	307.28	4.29	-119.53
CC(C)C(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010850400	0	47	-1.0	-47.85	386.70	5.61	-42.24
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010850401	0	43	-1.0	-49.61	375.23	5.78	-43.83
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(F)C=C1Cl	REAL300010850401	1	42	-2.0	-117.67	379.69	5.75	-111.92
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010850402	0	36	-1.0	-46.50	338.47	5.86	-40.64
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010850402	1	35	-2.0	-119.23	338.34	5.54	-113.69
CC(C)C(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010850403	0	43	-1.0	-67.71	354.15	1.24	-66.47
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850404	0	41	-2.0	-124.30	359.02	5.21	-119.09
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1OC	REAL300010850405	0	45	-1.0	-54.67	380.14	3.78	-50.89
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010850406	0	46	-1.0	-52.22	378.73	5.93	-46.29
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850407	0	48	-1.0	-58.64	397.47	2.23	-56.41
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850408	0	45	-1.0	-60.56	368.60	3.62	-56.94
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850409	0	47	-1.0	-62.44	390.05	5.47	-56.97
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C	REAL300010850410	0	46	-1.0	-50.14	385.11	6.18	-43.96
CC(C)C(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010850411	0	37	-1.0	-48.06	311.90	4.93	-43.13
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850412	0	46	-1.0	-51.08	384.74	6.40	-44.68
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850413	0	40	-1.0	-51.58	364.66	6.76	-44.82
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850413	1	39	-2.0	-126.26	362.97	6.30	-119.96
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850414	0	37	-1.0	-54.49	334.66	6.17	-48.32
CC(C)C(CNS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010850415	0	50	-1.0	-47.07	393.22	5.43	-41.64
CC1=C(CCS(=O)(=O)NCC(C(=O)[O-])C(C)C)SC=N1	REAL300010850416	0	39	-1.0	-47.24	334.70	3.28	-43.96
CC(C)C(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010850417	0	40	-1.0	-47.09	347.91	6.06	-41.03
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850418	0	43	-1.0	-58.77	367.87	5.41	-53.36
CC(C)C(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010850419	0	44	-1.0	-48.15	360.13	7.46	-40.69
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850420	0	48	-1.0	-50.55	404.78	1.83	-48.72
CC(C)C(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010850421	0	37	-1.0	-48.61	326.21	5.30	-43.31
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1C	REAL300010850422	0	46	-1.0	-53.81	394.43	5.27	-48.54
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010850423	0	40	-1.0	-48.37	356.44	1.97	-46.40
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010850424	0	38	-1.0	-50.86	340.17	4.95	-45.91
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010850425	0	37	-1.0	-47.18	317.82	4.91	-42.27
CC1=NC(Cl)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850426	0	36	-1.0	-46.23	320.11	3.47	-42.76
CC1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010850427	0	37	-1.0	-53.93	332.79	3.66	-50.27
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(Br)N1C	REAL300010850427	1	36	-2.0	-133.50	331.40	3.16	-130.34
CC(C)C(CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850428	0	35	-1.0	-47.61	311.24	2.91	-44.70
COC(=O)C(C)(C)CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850429	0	42	-1.0	-55.04	341.92	3.99	-51.05
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850430	0	47	-1.0	-60.17	384.55	4.91	-55.26
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010850431	0	37	-2.0	-100.61	325.07	3.66	-96.95
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010850431	1	38	-1.0	-51.74	336.35	2.79	-48.95
CCOC(=O)CC1(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850432	0	43	-1.0	-66.85	354.41	5.41	-61.44
CC(C)C(CNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010850433	0	35	-1.0	-48.81	326.56	4.70	-44.11
CC(C)C(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010850433	1	34	-2.0	-113.54	331.02	4.67	-108.87
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850434	0	45	-1.0	-56.40	378.50	3.41	-52.99
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(=O)OC(C)C	REAL300010850435	0	49	-1.0	-48.22	405.34	6.90	-41.32
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850436	0	46	-1.0	-53.27	389.30	3.25	-50.02
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010850437	0	39	-1.0	-50.01	332.35	1.25	-48.76
COC(=O)C1(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)CCCC1	REAL300010850438	0	46	-1.0	-65.04	367.46	5.13	-59.91
CC(C)C(CNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010850439	0	33	-1.0	-45.81	319.13	3.24	-42.57
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850440	0	41	-1.0	-53.84	364.81	4.30	-49.54
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300010850441	0	40	-1.0	-44.10	340.36	5.56	-38.54
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010850442	0	45	-1.0	-45.19	389.85	7.36	-37.83
COC(=O)CC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850443	0	43	-1.0	-51.24	362.88	5.48	-45.76
CC(C)C(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010850444	0	36	-1.0	-52.68	310.26	3.82	-48.86
CC(C)C(CNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010850445	0	44	-1.0	-56.26	332.52	5.51	-50.75
CC(C)C(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010850446	0	40	-1.0	-58.27	354.45	6.01	-52.26
COC(=O)C1(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)CCC1	REAL300010850447	0	43	-1.0	-48.55	344.21	4.43	-44.12
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010850448	0	34	-1.0	-48.56	320.41	4.25	-44.31
CC(C)C(CNS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010850449	0	38	-1.0	-52.31	334.11	5.04	-47.27
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850450	0	47	-1.0	-55.96	397.70	4.42	-51.54
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850451	0	50	-1.0	-55.59	419.55	5.35	-50.24
COC(=O)C1(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)CCCCC1	REAL300010850452	0	49	-1.0	-49.39	371.79	5.52	-43.87
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN=C1C	REAL300010850453	0	42	-1.0	-48.67	354.11	3.41	-45.26
CC(C)C(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010850454	0	38	-1.0	-55.34	337.06	3.63	-51.71
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850455	0	43	-1.0	-53.41	386.39	6.16	-47.25
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010850456	0	35	-1.0	-47.86	319.11	4.51	-43.35
CC(C)C(CNS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010850457	0	44	-1.0	-46.60	342.82	3.32	-43.28
CC(C)C(CNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010850458	0	50	-1.0	-53.96	419.02	5.91	-48.05
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850459	0	37	-1.0	-47.43	322.01	4.70	-42.73
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010850460	0	36	-1.0	-46.35	329.78	3.35	-43.00
CC(C)C(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010850461	0	47	-1.0	-47.46	349.83	6.08	-41.38
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010850462	0	43	-1.0	-53.59	352.66	5.65	-47.94
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010850463	0	35	-1.0	-46.31	313.69	3.30	-43.01
CC(C)C(CNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010850464	0	40	-1.0	-61.00	348.93	5.65	-55.35
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010850465	0	37	-1.0	-52.39	320.94	2.86	-49.53
CC(C)C(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010850465	1	36	-2.0	-128.29	330.77	2.62	-125.67
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850466	0	36	-1.0	-50.17	327.95	6.11	-44.06
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850466	1	35	-2.0	-116.50	324.96	5.87	-110.63
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(F)C=C1C	REAL300010850467	0	43	-1.0	-54.89	362.03	5.02	-49.87
CC1=CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C2N=C1Cl	REAL300010850468	0	42	-1.0	-50.46	368.88	5.46	-45.00
CC(C)C(CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010850469	0	43	-1.0	-53.06	340.90	5.21	-47.85
CC(C)C(CNS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010850470	0	44	-1.0	-49.08	371.69	4.83	-44.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300010850471	0	61	-1.0	-46.74	440.50	9.83	-36.91
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010850472	0	39	-1.0	-59.12	339.80	5.64	-53.48
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850473	0	46	-1.0	-61.19	393.44	6.37	-54.82
COC(=O)C1=NC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850474	0	39	-1.0	-58.90	332.44	3.79	-55.11
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850475	0	41	-1.0	-47.39	360.63	4.37	-43.02
CC(C)C(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010850476	0	41	-1.0	-51.94	337.06	6.16	-45.78
COC1=CC=C2C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CCC2=C1	REAL300010850477	0	46	-1.0	-55.41	376.94	5.77	-49.64
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010850478	0	42	-1.0	-51.83	348.37	5.03	-46.80
CC(C)C(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010850479	0	37	-1.0	-50.40	324.02	4.51	-45.89
CC(C)C(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010850479	1	36	-2.0	-122.01	321.22	4.18	-117.83
CC(C)C(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010850480	0	37	-1.0	-49.90	343.70	6.13	-43.77
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010850480	1	36	-2.0	-127.51	336.34	5.77	-121.74
CC(C)C(CNS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010850481	0	37	-1.0	-45.02	336.69	5.43	-39.59
CC(C)C(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010850482	0	43	-1.0	-71.55	377.46	2.30	-69.25
CC(C)C(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010850483	0	37	-1.0	-53.13	314.51	4.28	-48.85
CC(C)C(CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010850484	0	46	-1.0	-57.94	359.04	5.75	-52.19
CC1=CC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300010850485	0	43	-1.0	-48.68	353.22	6.98	-41.70
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010850486	0	31	-1.0	-44.50	289.74	3.37	-41.13
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010850486	1	30	-2.0	-123.63	298.76	3.17	-120.46
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850487	0	43	-1.0	-43.24	368.05	5.98	-37.26
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010850488	0	49	-1.0	-57.31	414.02	4.63	-52.68
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850489	0	47	-1.0	-53.25	381.94	4.39	-48.86
CC(C)C(CNS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010850490	0	37	-1.0	-50.84	335.05	5.26	-45.58
CC(C)C(CNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010850491	0	40	-1.0	-58.41	336.15	6.08	-52.33
CCC1=CC(CC)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(CC)=C1	REAL300010850492	0	52	-1.0	-48.12	392.22	8.79	-39.33
CC(C)C(CNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010850493	0	39	-1.0	-52.03	328.21	3.91	-48.12
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010850494	0	41	-1.0	-49.26	341.92	3.80	-45.46
CC(C)C(CNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010850495	0	36	-1.0	-51.60	336.01	3.97	-47.63
COC1=CC(OC)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850496	0	42	-1.0	-58.02	359.08	3.80	-54.22
CC(C)C(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010850497	0	42	-1.0	-48.38	363.55	2.63	-45.75
CC(C)C(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010850498	0	39	-1.0	-57.15	346.59	-0.97	-58.12
CC(C)C(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010850499	0	45	-1.0	-57.69	365.64	1.19	-56.50
COC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010850500	0	38	-1.0	-44.87	331.46	3.91	-40.96
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010850501	0	37	-1.0	-46.64	315.86	1.32	-45.32
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850502	0	47	-1.0	-48.25	381.82	5.46	-42.79
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010850503	0	39	-1.0	-52.92	322.10	3.95	-48.97
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300010850504	0	43	-1.0	-54.85	364.07	7.05	-47.80
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010850505	0	38	-1.0	-53.41	328.94	4.23	-49.18
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010850506	0	38	-1.0	-53.29	339.27	4.68	-48.61
COC(=O)CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850507	0	43	-1.0	-53.39	374.82	5.56	-47.83
COC(CC1=CC=CC=C1)CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850508	0	47	-1.0	-50.90	383.76	6.01	-44.89
COC(CC(C)C)CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850509	0	46	-1.0	-61.52	362.86	4.29	-57.23
COC1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850510	0	38	-1.0	-58.10	319.93	3.97	-54.13
CC(C)C(CNS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010850511	0	37	-1.0	-44.22	344.17	5.80	-38.42
CC(C)C(CNS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010850512	0	44	-1.0	-48.66	353.20	3.34	-45.32
CC(C)C(CNS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010850513	0	37	-1.0	-47.63	349.58	5.86	-41.77
CC(C)C(CNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010850514	0	37	-1.0	-51.04	332.61	3.17	-47.87
CCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300010850515	0	42	-1.0	-44.85	346.79	5.83	-39.02
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850516	0	50	-1.0	-59.50	389.64	6.21	-53.29
CC(C)C(CNS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010850517	0	41	-1.0	-61.02	353.86	5.94	-55.08
COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850518	0	38	-1.0	-49.89	315.42	3.35	-46.54
COC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850519	0	37	-1.0	-50.22	336.26	1.29	-48.93
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850520	0	43	-1.0	-46.27	360.76	5.41	-40.86
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850521	0	43	-1.0	-44.98	379.42	5.69	-39.29
CC(C)C(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010850522	0	37	-1.0	-55.62	328.34	5.29	-50.33
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300010850523	0	37	-1.0	-46.26	327.88	5.17	-41.09
CC(C)C(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010850524	0	40	-1.0	-52.85	340.52	5.06	-47.79
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2)=N1	REAL300010850525	0	43	-1.0	-52.13	374.09	5.53	-46.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1F	REAL300010850526	0	40	-1.0	-49.22	360.30	4.96	-44.26
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850526	1	39	-2.0	-123.94	360.75	4.87	-119.07
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850527	0	43	-1.0	-49.93	359.21	5.09	-44.84
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850528	0	41	-1.0	-47.11	336.99	4.26	-42.85
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850529	0	40	-1.0	-58.58	349.20	5.94	-52.64
CC(C)C(CNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010850530	0	47	-1.0	-48.15	371.09	4.13	-44.02
CC(C)C(CNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010850531	0	49	-1.0	-52.86	407.63	1.87	-50.99
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010850532	0	42	-1.0	-52.52	335.76	5.26	-47.26
CC(C)C(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010850533	0	41	-1.0	-52.58	351.03	1.91	-50.67
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010850534	0	34	-1.0	-46.68	315.00	4.64	-42.04
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)SC(Br)=C1	REAL300010850535	0	34	-1.0	-42.47	315.82	4.60	-37.87
CC(C)C(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010850536	0	43	-1.0	-45.78	348.68	4.31	-41.47
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850537	0	44	-1.0	-51.66	356.15	2.68	-48.98
CC(C)C(CNS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010850538	0	40	-1.0	-46.56	337.59	5.61	-40.95
CC(C)C(CNS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010850539	0	40	-1.0	-56.83	338.66	5.60	-51.23
CC(C)C(CNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010850540	0	40	-1.0	-58.52	350.95	5.93	-52.59
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850541	0	38	-1.0	-51.52	335.39	4.55	-46.97
COC1=CC2=C(C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(=O)NCCC2	REAL300010850542	0	49	-1.0	-66.77	389.64	2.99	-63.78
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S2)C1	REAL300010850543	0	45	-1.0	-50.31	382.75	4.53	-45.78
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)SC2=CC=C(C#N)C=C12	REAL300010850544	0	41	-1.0	-49.00	362.64	6.37	-42.63
COC1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850545	0	43	-1.0	-50.47	341.04	2.17	-48.30
COC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C1CCOC1	REAL300010850546	0	45	-1.0	-54.25	352.63	1.88	-52.37
CC(C)C(CNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010850547	0	37	-1.0	-46.07	332.49	5.38	-40.69
CC(C)C(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010850548	0	37	-1.0	-46.51	329.28	5.27	-41.24
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010850549	0	34	-1.0	-50.10	331.03	5.20	-44.90
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850550	0	41	-1.0	-52.11	341.86	1.49	-50.62
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850551	0	59	-1.0	-45.95	465.99	8.97	-36.98
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850552	0	49	-1.0	-53.73	395.51	6.38	-47.35
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010850553	0	34	-1.0	-46.54	319.42	4.74	-41.80
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850554	0	40	-1.0	-51.16	351.73	4.76	-46.40
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300010850555	0	48	-1.0	-49.78	400.58	7.14	-42.64
CC(C)C(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010850556	0	48	-1.0	-49.86	403.40	7.40	-42.46
CC(C)C(CNS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010850557	0	33	-1.0	-49.56	294.92	3.10	-46.46
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010850557	1	32	-2.0	-129.03	298.15	2.47	-126.56
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C2)=N1	REAL300010850558	0	46	-1.0	-58.30	385.72	4.07	-54.23
COC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C1=CC=C(F)C=C1	REAL300010850559	0	44	-1.0	-58.56	374.83	5.18	-53.38
CC(C)C(CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010850560	0	46	-1.0	-49.63	369.99	5.47	-44.16
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)N(C)N=C1	REAL300010850561	0	40	-1.0	-53.72	334.68	3.02	-50.70
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Cl	REAL300010850562	0	42	-1.0	-49.08	374.31	2.97	-46.11
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CC=C12	REAL300010850563	0	46	-1.0	-49.73	383.47	6.94	-42.79
COC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850564	0	45	-1.0	-48.47	370.95	3.18	-45.29
CCOC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C1CC1	REAL300010850565	0	44	-1.0	-59.39	357.09	4.37	-55.02
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1F	REAL300010850566	0	40	-1.0	-49.17	349.97	4.51	-44.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850566	1	39	-2.0	-123.47	350.43	4.42	-119.05
CC(=O)N1CCC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(Cl)C=C21	REAL300010850567	0	45	-1.0	-60.89	370.10	5.23	-55.66
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850568	0	47	-1.0	-51.44	382.44	5.73	-45.71
COC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C1CCCC1	REAL300010850569	0	47	-1.0	-46.61	361.87	4.38	-42.23
COC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300010850570	0	50	-1.0	-49.12	384.09	5.09	-44.03
CC(C)C(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010850571	0	37	-1.0	-50.52	327.60	3.56	-46.96
CCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010850572	0	53	-1.0	-48.04	423.87	7.13	-40.91
CC(C)C(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010850573	0	37	-1.0	-63.99	342.47	3.88	-60.11
COC1=CC(F)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850574	0	38	-1.0	-48.53	319.33	3.98	-44.55
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300010850575	0	42	-1.0	-50.80	351.00	6.52	-44.28
CC(C)C(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010850576	0	41	-1.0	-51.70	339.57	3.95	-47.75
CC(C)C(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010850577	0	47	-1.0	-52.44	393.97	6.39	-46.05
COC(=O)C1=C(C)C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)O1	REAL300010850578	0	40	-1.0	-50.37	345.29	3.43	-46.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)O1	REAL300010850578	1	39	-2.0	-120.51	342.49	3.09	-117.42
CCC1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300010850579	0	47	-1.0	-56.02	380.03	5.82	-50.20
CC(=O)N1CC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2C1	REAL300010850580	0	45	-1.0	-56.50	376.20	4.57	-51.93
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010850581	0	37	-1.0	-42.49	327.54	2.66	-39.83
CC(C)C(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010850582	0	45	-1.0	-48.79	393.03	8.18	-40.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850583	0	37	-1.0	-48.88	329.65	5.63	-43.25
CC(C)C(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010850584	0	44	-1.0	-52.58	350.52	7.42	-45.16
CC1=CC=C(Br)C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850585	0	40	-1.0	-46.69	347.53	5.96	-40.73
COC1=CC=CC(Br)=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850586	0	41	-1.0	-50.71	354.65	4.69	-46.02
CC(C)C(CNS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010850587	0	40	-1.0	-48.54	341.81	5.61	-42.93
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1F	REAL300010850588	0	37	-1.0	-56.87	317.91	4.55	-52.32
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010850589	0	33	-1.0	-45.07	300.75	2.40	-42.67
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010850589	1	32	-2.0	-124.81	312.75	2.38	-122.43
CC(C)OC1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850590	0	43	-1.0	-49.04	352.38	3.11	-45.93
CC(C)C(CNS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010850591	0	40	-1.0	-61.96	353.50	2.47	-59.49
CC(C)C(CNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010850592	0	41	-1.0	-49.12	367.94	3.38	-45.74
COC(=O)C1=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)OC=C1	REAL300010850593	0	36	-2.0	-133.69	324.17	3.08	-130.61
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)OC=C1	REAL300010850593	1	37	-1.0	-53.32	323.93	3.43	-49.89
CCC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300010850594	0	47	-1.0	-55.32	378.90	5.75	-49.57
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010850595	0	40	-1.0	-43.87	356.87	5.91	-37.96
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850596	0	42	-1.0	-58.23	358.33	5.05	-53.18
CC(C)C(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850597	0	35	-2.0	-139.84	319.13	2.60	-137.24
CC(C)C(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850597	1	36	-1.0	-55.86	313.02	3.04	-52.82
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850598	0	37	-1.0	-48.58	338.62	6.03	-42.55
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300010850599	0	43	-1.0	-55.36	338.59	7.12	-48.24
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010850600	0	41	-1.0	-43.68	354.50	3.91	-39.77
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010850601	0	38	-1.0	-46.66	318.08	5.36	-41.30
CC1=CC2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C2NC1=O	REAL300010850602	0	43	-1.0	-50.18	363.47	3.81	-46.37
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010850603	0	39	-1.0	-53.96	336.26	2.53	-51.43
CC1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)S1	REAL300010850604	0	43	-1.0	-54.10	372.64	5.71	-48.39
CC(C)C(CNS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010850605	0	34	-1.0	-55.01	309.72	1.69	-53.32
CC(C)C(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010850605	1	33	-2.0	-116.91	301.30	1.21	-115.70
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(F)C=C1[N+](=O)[O-]	REAL300010850606	0	39	-1.0	-48.84	333.02	5.11	-43.73
CC(C)C(CNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010850607	0	40	-1.0	-56.91	348.18	5.26	-51.65
CC(C)C(CNS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010850608	0	46	0.0	-84.03	362.26	5.03	-79.00
CC(C)C(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010850609	0	51	0.0	-68.14	387.72	3.27	-64.87
CC(C)C(CNS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010850609	1	50	-1.0	-46.03	383.66	0.77	-45.26
CC(C)C(CNS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010850610	0	34	-1.0	-52.60	305.92	1.80	-50.80
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850611	0	38	-1.0	-53.27	321.17	5.12	-48.15
CC(C)OC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850612	0	43	-1.0	-49.50	357.02	2.61	-46.89
CCCCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=N1	REAL300010850613	0	46	-1.0	-51.85	377.37	4.74	-47.11
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(OC)C=C1F	REAL300010850614	0	44	-1.0	-54.03	367.58	4.56	-49.47
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850615	0	44	-1.0	-63.76	366.61	4.87	-58.89
COC1=C(F)C=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850616	0	38	-1.0	-51.10	312.49	4.16	-46.94
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010850617	0	50	-1.0	-48.28	402.37	6.33	-41.95
CC(C)C(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010850618	0	46	-1.0	-46.34	370.63	6.34	-40.00
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010850619	0	35	-1.0	-52.26	320.23	4.53	-47.73
CC(C)C(CNS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010850620	0	37	-1.0	-44.46	329.28	5.26	-39.20
CC(C)C(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010850621	0	53	-1.0	-59.00	418.62	8.59	-50.41
CC(C)C(CNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010850622	0	38	-1.0	-52.93	318.97	3.72	-49.21
CC(C)C(CNS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010850623	0	31	-1.0	-50.19	284.20	2.17	-48.02
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010850623	1	30	-2.0	-131.20	291.24	1.63	-129.57
CC(C)C(CNS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010850624	0	42	-1.0	-51.67	361.01	4.92	-46.75
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010850625	0	33	-1.0	-45.14	306.03	2.75	-42.39
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010850625	1	32	-2.0	-117.01	315.82	2.91	-114.10
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010850626	0	33	-1.0	-47.52	302.64	2.34	-45.18
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010850626	1	32	-2.0	-121.10	302.42	2.31	-118.79
CC(C)C(CNS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010850627	0	33	-1.0	-47.69	292.18	1.85	-45.84
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010850627	1	32	-2.0	-123.53	297.71	1.81	-121.72
COC1=NC=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850628	0	37	-1.0	-47.92	332.10	1.89	-46.03
CC(C)C(CNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010850629	0	39	-1.0	-52.12	347.90	4.92	-47.20
CC(C)C(CNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010850630	0	36	-1.0	-45.49	332.16	3.95	-41.54
CC(C)C(CNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010850631	0	44	-1.0	-55.95	368.70	4.69	-51.26
CC(C)C(CNS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010850632	0	38	-1.0	-70.23	319.06	1.34	-68.89
CC(C)C(C[N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010850632	1	37	-2.0	-157.88	321.96	0.98	-156.90
CC(C)C(CNS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010850633	0	37	-1.0	-52.43	329.57	4.90	-47.53
CC(C)C(CNS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010850634	0	33	-1.0	-56.62	316.09	2.41	-54.21
CCS(=O)(CC)=NS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850635	0	40	-1.0	-63.42	336.83	1.67	-61.75
CCS(=O)(CC)=NS(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850635	1	39	-2.0	-150.26	329.16	1.29	-148.97
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C([N+](=O)[O-])S1	REAL300010850636	0	36	-1.0	-58.55	326.83	5.37	-53.18
CC(C)C(CNS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010850637	0	42	-1.0	-50.31	337.22	3.03	-47.28
CCN1CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1=O	REAL300010850638	0	41	-1.0	-65.77	341.51	2.78	-62.99
CCOC(=O)C1(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CCC1	REAL300010850639	0	43	-1.0	-49.73	352.72	5.00	-44.73
CC(C)C(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010850640	0	45	-1.0	-66.74	378.60	0.65	-66.09
CC(C)C(CNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010850641	0	35	-1.0	-47.95	337.56	3.19	-44.76
COC(=O)C1=CC=C(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850642	0	43	-1.0	-58.52	366.41	5.44	-53.08
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010850643	0	36	-2.0	-124.71	333.21	4.84	-119.87
CC(C)C(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010850643	1	37	-1.0	-49.96	338.99	5.14	-44.82
CC(C)C(CNS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010850644	0	37	-1.0	-50.53	321.88	2.81	-47.72
CC(C)C(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010850644	1	36	-2.0	-120.34	323.94	2.34	-118.00
CC(C)C(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010850645	0	44	-1.0	-51.62	351.98	4.10	-47.52
CC(C)C(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010850646	0	31	-1.0	-54.37	289.42	3.13	-51.24
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010850647	0	46	-1.0	-58.17	363.78	4.37	-53.80
CC(C)C(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010850648	0	44	-1.0	-49.11	359.80	4.42	-44.69
CC(C)C(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010850649	0	37	-1.0	-44.53	318.64	2.64	-41.89
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010850650	0	34	-1.0	-55.73	307.82	1.84	-53.89
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010850651	0	36	-1.0	-50.88	319.84	3.31	-47.57
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850652	0	41	-1.0	-50.86	350.74	4.21	-46.65
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010850653	0	48	-1.0	-46.44	389.77	5.23	-41.21
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010850654	0	34	-2.0	-101.95	292.72	2.72	-99.23
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010850654	1	35	-1.0	-54.70	308.86	1.85	-52.85
C=CCCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850655	0	44	-1.0	-48.34	369.61	6.86	-41.48
COC(=O)C1=CNN=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850656	0	37	-1.0	-54.92	314.77	1.61	-53.31
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850656	1	36	-2.0	-139.02	317.90	1.27	-137.75
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850657	0	37	-1.0	-48.71	338.77	6.04	-42.67
CCC1=NN(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850658	0	40	-1.0	-49.81	335.08	3.14	-46.67
CC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850659	0	39	-1.0	-54.03	331.72	4.54	-49.49
CC(C)C(CNS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010850660	0	43	-1.0	-66.50	355.99	2.11	-64.39
CC(C)C(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010850660	1	42	-2.0	-152.20	354.33	1.73	-150.47
CCCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010850661	0	56	-1.0	-48.71	445.36	7.91	-40.80
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C#N)=C1	REAL300010850662	0	38	-1.0	-48.22	308.86	4.48	-43.74
CC1=CC=CC(C#N)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850663	0	38	-1.0	-61.59	319.59	5.27	-56.32
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010850664	0	37	-1.0	-46.92	329.08	4.98	-41.94
CC(C)C(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010850665	0	45	-1.0	-59.36	370.28	4.25	-55.11
CC(C)C(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010850666	0	38	-1.0	-47.15	341.04	5.78	-41.37
CCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300010850667	0	56	-1.0	-48.05	436.42	7.80	-40.25
CCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1CC	REAL300010850668	0	50	-1.0	-47.08	400.47	6.56	-40.52
CC(C)C(CNS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010850669	0	41	-1.0	-51.38	349.40	6.00	-45.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850670	0	40	-1.0	-50.77	335.84	6.08	-44.69
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850671	0	48	-1.0	-67.91	385.97	3.73	-64.18
CC(C)C(CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010850672	0	37	-1.0	-59.03	348.30	5.78	-53.25
CC(C)C(CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010850673	0	37	-1.0	-57.03	334.02	5.38	-51.65
CC(C)C(CNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010850674	0	44	-1.0	-64.27	375.13	5.99	-58.28
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850675	0	40	-1.0	-46.83	353.25	5.97	-40.86
CC1=CN=C(Cl)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850676	0	36	-1.0	-46.98	302.98	2.84	-44.14
COC1=CC=C(Br)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1F	REAL300010850677	0	38	-1.0	-50.95	341.36	4.31	-46.64
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1F	REAL300010850677	1	37	-2.0	-131.05	339.74	3.95	-127.10
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850678	0	44	-1.0	-56.01	362.42	6.36	-49.65
CC(C)C(CNS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010850679	0	46	-1.0	-45.24	350.20	5.48	-39.76
CCOC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)N(C)N=C1	REAL300010850680	0	43	-1.0	-56.28	361.70	3.95	-52.33
CC(C)C(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010850681	0	38	-1.0	-49.21	338.55	5.68	-43.53
CC(C)C(CNS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010850682	0	39	-1.0	-62.93	332.47	4.23	-58.70
CC(C)C(CNS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010850683	0	43	-1.0	-48.69	359.16	6.36	-42.33
CC(C)C(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010850684	0	39	-1.0	-53.02	325.25	1.03	-51.99
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C(C(N)=O)O1	REAL300010850685	0	38	-1.0	-47.05	332.86	-0.36	-47.41
CCCC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850686	0	43	-1.0	-45.11	338.38	6.59	-38.52
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010850687	0	46	-1.0	-53.85	398.09	5.73	-48.12
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850688	0	47	-1.0	-56.44	394.18	4.85	-51.59
CC(C)C(CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010850689	0	43	-1.0	-48.54	347.77	4.75	-43.79
CC(C)C(CNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010850690	0	34	-1.0	-50.69	306.74	4.26	-46.43
COC(=O)C1=CC=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850691	0	39	-1.0	-51.83	344.20	2.80	-49.03
CC(C)C(CNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010850692	0	40	-1.0	-49.49	344.07	5.65	-43.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850693	0	50	-1.0	-54.87	407.55	6.84	-48.03
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010850694	0	39	-1.0	-54.91	320.63	4.55	-50.36
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C21	REAL300010850695	0	54	-1.0	-58.28	411.36	6.47	-51.81
COC(=O)C1=CN(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850696	0	41	-1.0	-55.19	343.08	4.02	-51.17
CC(C)C(CNS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010850697	0	32	-1.0	-46.47	283.89	2.92	-43.55
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010850698	0	48	-1.0	-47.94	381.48	4.13	-43.81
CC(C)C(CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010850699	0	49	-1.0	-67.84	398.54	6.71	-61.13
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C21	REAL300010850700	0	48	-1.0	-57.72	386.75	5.98	-51.74
COC1=NC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850701	0	37	-1.0	-49.73	303.31	1.26	-48.47
CCC1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)CC1	REAL300010850702	0	45	-1.0	-46.32	349.55	4.54	-41.78
CC(C)C(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010850703	0	41	-2.0	-97.56	337.90	3.78	-93.78
CC(C)C(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010850704	0	41	-1.0	-47.19	335.82	3.73	-43.46
CC(C)C(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010850705	0	41	-1.0	-51.70	330.24	3.64	-48.06
CC(C)C(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010850706	0	44	-1.0	-46.35	351.83	4.42	-41.93
COC(=O)C1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010850707	0	46	-1.0	-48.86	376.30	6.89	-41.97
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850708	0	47	-1.0	-63.26	389.08	5.44	-57.82
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850709	0	44	-1.0	-53.96	358.59	4.83	-49.13
CC(C)C(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010850710	0	45	-1.0	-52.19	363.32	2.12	-50.07
CC(C)C(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010850711	0	40	-1.0	-47.84	352.77	4.95	-42.89
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010850712	0	40	-1.0	-48.68	343.13	1.30	-47.38
CC(C)C(C[N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010850713	0	30	-2.0	-123.35	292.55	2.37	-120.98
CC(C)C(CNS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010850713	1	31	-1.0	-47.61	292.31	2.73	-44.88
CC(C)C(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010850714	0	41	-1.0	-53.89	333.97	4.04	-49.85
COC1=C(F)C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850715	0	38	-1.0	-47.29	333.71	3.60	-43.69
COC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1F	REAL300010850716	0	38	-1.0	-54.38	326.96	3.21	-51.17
CCCCCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300010850717	0	59	-1.0	-47.87	466.86	8.70	-39.17
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850718	0	50	-1.0	-53.85	391.75	6.20	-47.65
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850719	0	44	-1.0	-46.27	366.56	5.42	-40.85
CC1=CSC(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850720	0	37	-1.0	-51.85	315.70	4.75	-47.10
CC(C)C(CNS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300010850721	0	42	-1.0	-52.83	337.92	4.52	-48.31
CC(C)C(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010850722	0	42	-1.0	-46.40	354.59	3.71	-42.69
CC(C)C(CNS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010850723	0	42	-1.0	-53.33	353.89	6.25	-47.08
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850724	0	38	-1.0	-51.09	330.94	4.71	-46.38
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850724	1	37	-2.0	-127.56	322.05	4.36	-123.20
CC1=C(Br)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C)S1	REAL300010850725	0	37	-1.0	-43.95	330.58	5.43	-38.52
CC1=CC(Cl)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Br)=C1	REAL300010850726	0	37	-1.0	-47.01	331.63	6.04	-40.97
CCC1=CN=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850727	0	39	-1.0	-50.83	325.79	3.68	-47.15
COC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=N1	REAL300010850728	0	39	-1.0	-51.24	336.86	2.88	-48.36
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C21	REAL300010850729	0	51	-1.0	-64.27	394.61	6.10	-58.17
CC(C)C(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010850730	0	40	-1.0	-50.57	339.59	4.68	-45.89
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C21	REAL300010850731	0	48	-1.0	-64.65	391.83	5.69	-58.96
CC(C)C(CNS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010850732	0	31	-1.0	-54.73	287.74	3.06	-51.67
CC(C)C(CNS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010850733	0	34	-1.0	-43.03	307.88	2.17	-40.86
CC(C)C(CNS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010850734	0	36	-1.0	-47.61	321.99	3.25	-44.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850735	0	39	-1.0	-64.46	333.70	3.67	-60.79
CC(C)C(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010850736	0	43	-1.0	-46.84	338.19	4.03	-42.81
CC(C)C(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010850737	0	38	-1.0	-50.54	340.39	4.33	-46.21
CC(C)C(CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010850738	0	35	-1.0	-44.71	307.29	2.85	-41.86
CC(C)C(CNS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010850739	0	37	-1.0	-64.57	337.91	3.78	-60.79
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010850740	0	37	-1.0	-52.98	326.70	5.48	-47.50
CC(C)C(CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010850741	0	41	-1.0	-49.96	343.93	3.84	-46.12
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300010850742	0	43	-1.0	-46.54	340.54	6.11	-40.43
COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1OC	REAL300010850743	0	42	-1.0	-53.55	335.50	3.85	-49.70
CC(C)C(CNS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010850744	0	43	-1.0	-52.46	354.26	1.27	-51.19
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010850745	0	35	-1.0	-42.78	326.44	4.95	-37.83
CC(C)C(CNS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010850746	0	37	-1.0	-53.74	310.79	4.01	-49.73
COC1=CC=C(F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1OC	REAL300010850747	0	42	-1.0	-51.21	345.35	4.36	-46.85
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010850748	0	36	-2.0	-118.01	349.42	3.08	-114.93
COC(=O)C1=C(Br)OC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850748	1	37	-1.0	-50.91	351.64	3.44	-47.47
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010850749	0	47	-1.0	-51.26	365.73	4.32	-46.94
CC(C)C(CNS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010850750	0	38	-1.0	-58.66	343.88	5.99	-52.67
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010850751	0	41	-1.0	-51.54	336.04	3.46	-48.08
CC(C)C(CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010850752	0	36	-2.0	-102.29	319.68	4.39	-97.90
CC(C)C(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010850753	0	38	-1.0	-47.80	324.89	3.62	-44.18
CC(C)C(CNS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010850754	0	38	-1.0	-52.25	340.32	4.33	-47.92
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010850755	0	37	-1.0	-57.66	317.27	3.28	-54.38
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010850755	1	36	-2.0	-131.67	314.48	2.93	-128.74
CC(C)C(CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010850756	0	39	-1.0	-64.78	326.20	2.48	-62.30
CC(C)C(CNS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010850757	0	37	-1.0	-53.74	310.79	4.01	-49.73
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010850758	0	34	-2.0	-97.10	323.63	3.73	-93.37
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1Br	REAL300010850759	0	40	-1.0	-52.07	342.09	6.14	-45.93
CC(C)C(CNS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010850760	0	45	-1.0	-55.15	347.52	4.45	-50.70
CC(C)C(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010850761	0	40	-1.0	-49.59	356.06	5.19	-44.40
CC(C)C(CNS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010850762	0	37	-1.0	-50.20	315.39	3.97	-46.23
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010850763	0	44	-1.0	-51.12	364.87	4.39	-46.73
CC(C)C(CNS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010850764	0	42	-1.0	-45.85	346.54	4.05	-41.80
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850765	0	52	-1.0	-54.42	402.42	8.08	-46.34
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010850766	0	40	-1.0	-47.31	357.14	5.92	-41.39
CC(C)C(CNS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010850767	0	31	-1.0	-46.55	287.76	3.19	-43.36
CC(C)C(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010850768	0	44	-1.0	-54.91	366.98	4.70	-50.21
CC(C)C(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010850769	0	38	-1.0	-54.39	319.43	5.02	-49.37
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010850770	0	45	-1.0	-56.35	377.62	6.87	-49.48
CC(C)C(CNS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010850771	0	47	-1.0	-54.64	375.45	2.44	-52.20
COC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300010850772	0	43	-1.0	-59.80	351.35	5.26	-54.54
CCCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850773	0	43	-1.0	-47.41	350.31	6.26	-41.15
COC(=O)C1=NN(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850774	0	40	-1.0	-45.10	342.21	2.38	-42.72
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010850775	0	35	-1.0	-56.27	299.82	3.85	-52.42
CC(C)C(CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010850776	0	41	-1.0	-50.01	338.08	3.60	-46.41
CC(C)C(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850777	0	38	-1.0	-44.50	348.84	5.43	-39.07
COC(=O)C1=CC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300010850778	0	46	-1.0	-48.17	386.60	6.96	-41.21
CC(C)C(CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010850779	0	43	-1.0	-46.17	341.06	3.73	-42.44
CC(C)C(CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010850780	0	43	-1.0	-54.73	357.50	3.77	-50.96
CC(C)C(CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010850781	0	41	-1.0	-48.65	337.29	3.04	-45.61
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300010850782	0	39	-1.0	-50.52	343.93	3.88	-46.64
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010850783	0	37	-1.0	-43.01	331.07	5.12	-37.89
CC(C)C(CNS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010850784	0	37	-1.0	-47.12	313.63	4.86	-42.26
CC(C)C(CNS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010850785	0	34	-1.0	-52.12	309.37	4.58	-47.54
CC(C)C(CNS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010850786	0	34	-1.0	-45.30	317.67	4.14	-41.16
CC(C)C(CNS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010850787	0	39	-1.0	-43.67	313.22	3.25	-40.42
CC(=O)NCC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850788	0	44	-1.0	-52.42	374.29	3.10	-49.32
CC(C)C(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850789	0	31	-1.0	-43.26	290.30	2.77	-40.49
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010850789	1	30	-2.0	-115.79	290.00	2.41	-113.38
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010850790	0	37	-1.0	-44.09	344.30	5.50	-38.59
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010850791	0	37	-1.0	-50.82	300.38	5.32	-45.50
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850792	0	45	-1.0	-56.54	370.51	6.08	-50.46
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010850793	0	45	-1.0	-55.36	362.63	7.11	-48.25
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010850794	0	44	-1.0	-57.25	372.64	5.76	-51.49
CC(C)C(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010850795	0	40	-1.0	-50.50	350.26	5.10	-45.40
CC(C)C(CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010850796	0	40	-1.0	-48.22	334.86	4.52	-43.70
CC(C)C(CNS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010850797	0	39	-1.0	-52.52	338.09	4.55	-47.97
CC(C)C(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010850798	0	41	-1.0	-58.41	340.89	2.40	-56.01
CC(C)C(CNS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010850799	0	34	-1.0	-50.86	310.80	4.73	-46.13
CC(C)C(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010850800	0	34	-1.0	-55.71	312.28	4.48	-51.23
CC(C)C(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010850801	0	41	-1.0	-54.99	342.21	6.18	-48.81
COC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=CS1	REAL300010850802	0	35	-1.0	-50.03	308.22	2.58	-47.45
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850803	0	37	-1.0	-52.06	319.17	5.71	-46.35
COC(=O)C1=C(C)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850804	0	40	-1.0	-50.37	354.03	4.40	-45.97
CC(C)C(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010850805	0	41	-1.0	-47.05	333.41	5.92	-41.13
CC(C)C(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010850806	0	44	-1.0	-50.02	358.32	4.51	-45.51
CCC(C)N1N=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850807	0	43	-1.0	-45.46	345.87	3.94	-41.52
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850808	0	43	-1.0	-54.72	356.71	1.55	-53.17
CC(C)C(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010850809	0	37	-1.0	-60.78	346.94	0.57	-60.21
CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850810	0	43	-1.0	-54.72	356.71	1.55	-53.17
CC(C)C(CNS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010850811	0	35	-1.0	-46.63	309.79	4.38	-42.25
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850812	0	37	-1.0	-58.03	317.97	5.64	-52.39
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850813	0	46	-1.0	-61.41	377.60	7.83	-53.58
CC(C)C(CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010850814	0	48	-1.0	-46.26	354.96	5.01	-41.25
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010850815	0	34	-1.0	-44.90	316.25	3.29	-41.61
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010850815	1	33	-2.0	-117.46	308.90	2.92	-114.54
COC1=CC(F)=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850816	0	38	-1.0	-54.20	326.24	4.03	-50.17
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010850817	0	48	-1.0	-48.12	383.95	3.13	-44.99
CC(C)C(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010850818	0	40	-1.0	-49.55	339.14	5.58	-43.97
CC(C)C(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010850819	0	38	-1.0	-49.06	325.18	3.63	-45.43
CC(C)C(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010850820	0	49	-1.0	-54.10	381.38	6.74	-47.36
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850821	0	35	-1.0	-53.70	316.80	2.53	-51.17
CC1=CC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300010850822	0	45	-1.0	-54.16	357.07	6.38	-47.78
CC(C)C(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010850823	0	42	-1.0	-51.52	341.47	4.05	-47.47
CC(C)C(CNS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010850824	0	37	-1.0	-52.33	320.51	2.76	-49.57
CCOCC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850825	0	44	-1.0	-50.04	369.32	4.76	-45.28
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850826	0	43	-1.0	-59.50	372.61	6.31	-53.19
CC(C)C(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010850827	0	44	-1.0	-49.46	372.09	5.26	-44.20
CC(C)C(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010850828	0	47	-1.0	-48.78	378.80	5.03	-43.75
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010850829	0	45	-1.0	-48.06	381.09	6.93	-41.13
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010850830	0	37	-1.0	-49.06	312.25	5.15	-43.91
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850831	0	46	-1.0	-48.34	374.24	6.76	-41.58
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300010850832	0	40	-1.0	-45.02	343.61	5.79	-39.23
CC(C)C(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010850833	0	39	-1.0	-51.94	349.28	5.53	-46.41
CC(C)C(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010850833	1	38	-2.0	-127.41	353.54	5.23	-122.18
CC(C)C(CNS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010850834	0	33	-1.0	-59.72	317.01	2.33	-57.39
CC(C)C(CNS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010850835	0	35	-1.0	-59.18	311.56	4.18	-55.00
CC(C)C(CNS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010850836	0	38	-1.0	-49.57	331.36	3.55	-46.02
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010850837	0	34	-2.0	-101.95	292.72	2.72	-99.23
CC(C)C(CNS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010850837	1	35	-1.0	-54.70	308.86	1.85	-52.85
CC(C)C(CNS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010850838	0	40	-1.0	-50.75	361.24	5.22	-45.53
CC(C)C(C[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010850838	1	39	-2.0	-120.18	362.14	5.04	-115.14
CC(C)C(CNS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010850839	0	33	-1.0	-45.75	305.46	2.70	-43.05
CC(C)C(CNS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010850840	0	46	-1.0	-57.16	371.93	1.79	-55.37
CCN1N=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300010850841	0	37	-1.0	-47.67	325.47	2.64	-45.03
CC(C)C(CNS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010850842	0	38	-1.0	-49.09	342.57	5.78	-43.31
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C2	REAL300010850843	0	40	-1.0	-53.24	378.10	5.30	-47.94
CC(C)C(C[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010850844	0	33	-2.0	-125.21	320.60	4.61	-120.60
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850845	0	36	-1.0	-47.42	326.28	3.02	-44.40
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850845	1	35	-2.0	-119.56	326.06	2.99	-116.57
CC(C)C(CNS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010850846	0	39	-1.0	-63.28	349.47	5.25	-58.03
CC(C)C(CNS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010850847	0	39	-1.0	-55.13	337.47	5.01	-50.12
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850848	0	36	-1.0	-47.42	326.28	3.02	-44.40
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010850848	1	35	-2.0	-119.56	326.06	2.99	-116.57
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300010850849	0	43	-1.0	-50.87	344.19	6.89	-43.98
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850850	0	38	-1.0	-48.97	337.78	5.05	-43.92
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850850	1	37	-2.0	-132.96	342.64	4.71	-128.25
CC(C)C(CNS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010850851	0	41	-1.0	-48.92	343.58	4.41	-44.51
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010850852	0	48	-1.0	-54.96	397.59	5.59	-49.37
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010850853	0	34	-1.0	-50.21	308.14	4.35	-45.86
CC(C)C(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010850853	1	33	-2.0	-119.96	312.59	4.32	-115.64
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)O1	REAL300010850854	0	40	-1.0	-60.21	351.50	0.35	-59.86
CC(C)C(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010850855	0	44	-1.0	-54.18	351.02	4.82	-49.36
CC(C)C(CNS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010850856	0	40	-1.0	-55.95	356.52	1.65	-54.30
CC(C)C(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010850857	0	38	-1.0	-45.46	324.23	5.30	-40.16
CC(C)C(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010850858	0	38	-1.0	-47.16	345.60	5.88	-41.28
CC(C)C(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010850859	0	38	-1.0	-46.82	345.59	5.88	-40.94
CC(C)C(CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010850860	0	39	-1.0	-66.70	336.20	-1.98	-68.68
CC(C)C(CNS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010850861	0	37	-1.0	-56.72	308.83	4.14	-52.58
CC(C)C(CNS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010850862	0	40	-1.0	-48.14	329.00	4.56	-43.58
CC(C)C(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010850863	0	36	-1.0	-53.22	318.79	3.45	-49.77
CC(C)C(CNS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010850864	0	42	-1.0	-50.23	347.23	1.26	-48.97
CC1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010850865	0	43	-1.0	-56.54	361.71	3.24	-53.30
CC1=NC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300010850865	1	42	-2.0	-142.66	366.84	2.67	-139.99
CC(C)C(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010850866	0	51	-1.0	-56.83	364.85	6.95	-49.88
CC(C)C(CNS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010850867	0	44	-1.0	-59.21	348.01	3.54	-55.67
CC(C)C(CNS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010850868	0	37	-1.0	-53.85	323.38	-0.25	-54.10
CC(C)C(CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010850869	0	42	-1.0	-54.36	326.02	4.55	-49.81
CC(C)C(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010850870	0	42	-1.0	-66.30	357.50	0.90	-65.40
CC(C)C(CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010850871	0	47	-1.0	-48.34	359.91	4.39	-43.95
CCOC(=O)C1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C2C=CC=CN12	REAL300010850872	0	46	-1.0	-57.59	386.34	5.91	-51.68
CC(C)C(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010850873	0	44	-1.0	-45.46	356.45	6.34	-39.12
CC(C)C(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010850874	0	38	-1.0	-50.09	333.62	3.06	-47.03
COC(=O)C1=CN2C=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C2C=C1	REAL300010850875	0	43	-1.0	-58.96	369.26	5.95	-53.01
CC(C)C(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010850876	0	44	-1.0	-48.43	368.85	6.92	-41.51
CC(C)C(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010850877	0	43	-1.0	-51.16	344.85	1.52	-49.64
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850878	0	43	-1.0	-63.02	358.81	4.96	-58.06
CC(C)C(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010850879	0	47	-1.0	-58.26	360.35	6.05	-52.21
CC(C)C(CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010850880	0	38	-1.0	-45.95	329.74	5.36	-40.59
COC(=O)C1CCCCN1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850881	0	45	-1.0	-60.80	355.02	4.72	-56.08
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010850882	0	56	-1.0	-47.40	415.50	8.22	-39.18
CC(C)C(CNS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010850883	0	37	-1.0	-51.98	337.87	4.88	-47.10
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850884	0	45	-1.0	-52.73	361.18	4.93	-47.80
CC1=CC=CC(CNS(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850885	0	42	-1.0	-46.62	352.94	3.98	-42.64
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=NN1	REAL300010850886	0	40	-1.0	-54.27	353.20	1.87	-52.40
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850886	1	39	-2.0	-99.38	340.68	1.77	-97.61
CCOC(=O)C1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=N[N-]1	REAL300010850886	1	39	-2.0	-99.41	340.73	1.77	-97.64
COC1=CSC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1OC	REAL300010850887	0	39	-1.0	-46.70	334.70	1.89	-44.81
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)=C1	REAL300010850888	0	36	-2.0	-117.45	345.35	2.97	-114.48
COC(=O)C1=C(Cl)OC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850888	1	37	-1.0	-50.96	347.57	3.34	-47.62
CC(C)C(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010850889	0	46	-1.0	-45.38	346.35	4.49	-40.89
CC(C)C(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010850890	0	45	-1.0	-47.37	366.18	5.93	-41.44
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850891	0	38	-1.0	-50.04	343.03	5.24	-44.80
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850891	1	37	-2.0	-127.32	336.26	4.93	-122.39
CC(C)C(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010850892	0	38	-1.0	-52.91	337.01	4.86	-48.05
COC1=CC(F)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850893	0	38	-1.0	-50.00	330.39	3.65	-46.35
COC1=CC(F)=C(S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C)C(F)=C1	REAL300010850893	1	37	-2.0	-130.14	328.78	3.28	-126.86
CC(C)C(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010850894	0	38	-1.0	-46.59	331.41	3.69	-42.90
CC(C)C(CNS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010850895	0	40	-1.0	-48.08	330.34	3.99	-44.09
CC(C)C(CNS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010850896	0	37	-1.0	-54.76	317.78	5.61	-49.15
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010850897	0	43	-1.0	-50.65	366.72	4.54	-46.11
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010850898	0	31	-1.0	-48.89	318.07	4.18	-44.71
CC(C)C(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010850898	1	30	-2.0	-114.01	315.86	3.81	-110.20
CC(C)C(CNS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010850899	0	34	-1.0	-53.00	304.27	1.77	-51.23
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850900	0	47	-1.0	-54.85	386.79	6.49	-48.36
CC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC2=C1N(C)C(=O)C2(C)C	REAL300010850901	0	51	-1.0	-49.16	410.83	5.97	-43.19
CC(C)C(CNS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010850902	0	37	-1.0	-44.64	342.18	5.46	-39.18
CC(C)C(CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010850903	0	39	-1.0	-49.40	337.08	4.68	-44.72
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850904	0	42	-1.0	-51.91	346.17	3.89	-48.02
CC(C)C(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010850905	0	45	-1.0	-47.28	375.53	6.95	-40.33
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010850906	0	40	-1.0	-52.12	317.20	5.85	-46.27
COC(=O)C1=CNN=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850907	0	37	-1.0	-54.92	314.77	1.61	-53.31
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850907	1	36	-2.0	-139.02	317.90	1.27	-137.75
CC(C)C(CNS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010850908	0	39	-1.0	-56.95	347.88	2.65	-54.30
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010850909	0	35	-1.0	-54.06	323.01	2.92	-51.14
CC1=CC(Cl)=NC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850910	0	36	-1.0	-40.64	312.38	3.54	-37.10
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850911	0	45	-1.0	-50.56	369.60	5.67	-44.89
CCN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300010850912	0	44	-1.0	-47.80	349.52	4.30	-43.50
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300010850913	0	38	-1.0	-51.04	330.42	3.45	-47.59
CC(C)C(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010850914	0	40	-1.0	-47.77	355.05	6.85	-40.92
CC(=O)OC1CCN(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C1	REAL300010850915	0	42	-1.0	-47.95	345.71	3.23	-44.72
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010850916	0	44	-1.0	-50.71	378.77	7.99	-42.72
COC(=O)C1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C(Cl)S1	REAL300010850917	0	37	-1.0	-57.39	348.68	5.11	-52.28
CCC1=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010850918	0	40	-1.0	-46.16	351.45	5.94	-40.22
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850919	0	47	-1.0	-51.31	379.77	5.25	-46.06
CC(C)C(CNS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010850920	0	31	-1.0	-49.12	296.65	3.57	-45.55
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850921	0	48	-1.0	-60.31	390.10	4.40	-55.91
CC(C)C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010850922	0	40	-1.0	-54.33	335.20	6.35	-47.98
CC(C)C(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010850923	0	42	-1.0	-48.38	338.50	1.73	-46.65
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010850924	0	41	-1.0	-44.91	329.76	6.03	-38.88
CC(C)C(CNS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010850925	0	45	-1.0	-45.79	336.17	4.02	-41.77
CC(C)C(CNS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010850926	0	43	-1.0	-47.99	342.02	0.58	-47.41
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850927	0	48	-1.0	-57.47	394.65	4.41	-53.06
CC(C)C(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010850928	0	49	-1.0	-47.24	387.76	4.43	-42.81
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850929	0	37	-1.0	-48.00	327.49	1.77	-46.23
COC1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850930	0	40	-1.0	-49.66	335.16	1.48	-48.18
CC(C)CN1C=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=N1	REAL300010850931	0	43	-1.0	-54.65	355.95	4.21	-50.44
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850932	0	43	-1.0	-51.80	351.45	3.76	-48.04
CC(C)C(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010850933	0	33	-1.0	-51.55	315.18	2.03	-49.52
CC(C)C(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010850934	0	44	-1.0	-53.88	350.11	1.84	-52.04
COCC1=CC(CS(=O)(=O)NCC(C(=O)[O-])C(C)C)=NO1	REAL300010850935	0	40	-1.0	-52.88	346.75	1.94	-50.94
CC(C)C(CNS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010850936	0	32	-1.0	-60.77	300.78	3.26	-57.51
CC(C)C(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010850937	0	37	-1.0	-63.99	342.47	3.88	-60.11
CC(C)C(C[N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010850938	0	31	-2.0	-125.41	303.80	1.53	-123.88
CC(C)C(CNS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010850938	1	32	-1.0	-52.12	297.59	2.04	-50.08
CC(=O)NC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850939	0	38	-1.0	-63.01	341.42	2.11	-60.90
CC1=C(C)C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C(C)S1	REAL300010850940	0	40	-1.0	-45.44	327.43	5.42	-40.02
CC(C)C(CNS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010850941	0	33	-1.0	-49.93	291.26	2.98	-46.95
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010850941	1	32	-2.0	-129.95	294.49	2.35	-127.60
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850942	0	38	-1.0	-55.13	329.66	4.51	-50.62
COC1=CC=NC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850943	0	37	-1.0	-49.97	301.36	2.00	-47.97
CC(C)C(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010850944	0	36	-1.0	-47.83	321.06	3.17	-44.66
COC1=NC=CC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1Cl	REAL300010850945	0	37	-1.0	-53.98	321.82	0.87	-53.11
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850946	0	43	-1.0	-56.95	369.78	3.10	-53.85
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)S1	REAL300010850946	1	42	-2.0	-96.38	371.64	1.99	-94.39
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850947	0	41	-1.0	-57.31	346.38	2.21	-55.10
CC(C)C(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010850948	0	38	-1.0	-45.07	348.79	6.17	-38.90
CC(C)C(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850949	0	39	-1.0	-53.17	340.98	6.31	-46.86
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010850950	0	32	-2.0	-130.73	311.67	2.55	-128.18
CC(C)C(CNS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010850950	1	33	-1.0	-49.54	306.82	2.90	-46.64
CC(C)C(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010850951	0	45	-1.0	-54.11	357.50	4.64	-49.47
CC(C)C(CNS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010850952	0	40	-1.0	-48.68	329.57	3.31	-45.37
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300010850953	0	42	-1.0	-48.38	340.55	5.30	-43.08
COC(=O)C1=NC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C	REAL300010850954	0	42	-1.0	-49.14	354.63	3.42	-45.72
CC(C)C(CNS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010850955	0	37	-1.0	-58.77	326.00	5.93	-52.84
CC(C)C(CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010850956	0	41	-1.0	-44.71	334.34	4.18	-40.53
CC(C)C(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010850957	0	41	-1.0	-47.61	340.57	5.30	-42.31
CC(C)C(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010850958	0	36	-1.0	-56.60	318.45	3.19	-53.41
CC(C)C(CNS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010850959	0	39	-1.0	-50.44	321.06	4.41	-46.03
CC1=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300010850960	0	43	-1.0	-47.16	355.68	3.88	-43.28
CC(C)C(CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010850961	0	41	-1.0	-48.40	352.26	6.27	-42.13
CC(C)C(CNS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010850962	0	36	-1.0	-52.77	320.35	3.09	-49.68
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010850963	0	34	-1.0	-44.32	302.36	4.56	-39.76
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C2=C1NCCC2	REAL300010850964	0	46	-1.0	-53.45	357.25	5.02	-48.43
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1	REAL300010850965	0	48	-1.0	-49.01	401.22	7.64	-41.37
CC(C)C(CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010850966	0	41	-1.0	-47.99	347.16	6.27	-41.72
CC(C)C(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010850967	0	31	-1.0	-54.37	289.42	3.13	-51.24
CC(C)C(CNS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010850968	0	38	-1.0	-50.54	335.80	4.23	-46.31
CC1=CC(Br)=NC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850969	0	36	-1.0	-40.71	316.97	3.62	-37.09
CC(C)C(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010850970	0	39	-1.0	-59.44	321.71	4.72	-54.72
COC(=O)CC1=CC=CC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850971	0	43	-1.0	-50.66	359.52	5.91	-44.75
CC(C)C(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010850972	0	45	-1.0	-52.84	372.06	8.18	-44.66
CC1=CN=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C)=C1	REAL300010850973	0	39	-1.0	-50.14	324.90	3.66	-46.48
CC(C)C(CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010850974	0	37	-1.0	-54.61	318.28	4.67	-49.94
CC(C)C(CNS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010850975	0	33	-1.0	-47.73	304.16	2.86	-44.87
CC(C)C(CNS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850976	0	36	-1.0	-50.86	307.41	3.57	-47.29
CC(C)C(C[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010850976	1	35	-2.0	-131.51	310.89	2.99	-128.52
CC(C)C(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010850977	0	37	-1.0	-50.95	319.30	3.78	-47.17
CC(C)C(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010850978	0	42	-1.0	-56.57	350.66	-0.12	-56.69
CC(C)C(CNS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010850979	0	41	-1.0	-47.53	323.83	2.20	-45.33
CC(C)C(CNS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010850980	0	40	-1.0	-45.92	324.28	3.60	-42.32
CC1=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300010850981	0	36	-1.0	-50.90	323.41	3.27	-47.63
CC(C)C(C[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010850982	0	32	-2.0	-120.49	318.83	3.11	-117.38
CC(C)C(CNS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010850982	1	33	-1.0	-45.86	320.45	3.47	-42.39
CC(C)C(CNS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010850983	0	38	-1.0	-59.42	333.72	3.38	-56.04
CC(C)C(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010850984	0	38	-1.0	-45.46	324.23	5.30	-40.16
CC(C)C(CNS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010850985	0	38	-1.0	-46.88	341.03	5.77	-41.11
CC(C)C(CNS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010850986	0	43	-1.0	-57.73	372.50	3.64	-54.09
COC1=CC=NC(S(=O)(=O)NCC(C(=O)[O-])C(C)C)=C1	REAL300010850987	0	37	-1.0	-51.89	318.77	1.44	-50.45
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010850988	0	41	-1.0	-50.86	343.33	6.19	-44.67
CC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(Cl)=C1Cl	REAL300010850989	0	37	-1.0	-52.32	323.48	5.16	-47.16
CC(C)C(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010850990	0	38	-1.0	-43.35	330.15	3.61	-39.74
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300010850991	0	41	-1.0	-51.55	343.85	4.71	-46.84
CCOC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C1C(=O)OC	REAL300010850992	0	47	-1.0	-52.79	396.35	5.69	-47.10
COC(=O)C1CC2=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)C=C2C1	REAL300010850993	0	47	-1.0	-51.96	391.69	6.61	-45.35
COC1=CC=C(S(=O)(=O)NCC(C(=O)[O-])C(C)C)N=C1	REAL300010850994	0	37	-1.0	-56.88	315.67	1.63	-55.25
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850995	0	40	-1.0	-47.73	349.63	2.23	-45.50
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850996	0	40	-1.0	-55.44	359.60	6.14	-49.30
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850996	1	39	-2.0	-125.59	358.53	5.86	-119.73
COC(=O)C1=CC=NC=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850997	0	39	-1.0	-54.29	332.02	3.79	-50.50
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC(C(=O)[O-])C(C)C	REAL300010850998	0	40	-1.0	-54.23	333.73	5.29	-48.94
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C(=O)[O-])C(C)C	REAL300010850998	1	39	-2.0	-141.74	338.21	5.31	-136.43
CC(C)C(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010850999	0	39	-1.0	-50.43	329.07	4.51	-45.92
CC(C)C(CNS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010851000	0	34	-1.0	-45.04	306.56	5.28	-39.76
CC(CNS(=O)(=O)C1=CC(F)=CC=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300010853102	0	38	-2.0	-106.67	329.97	4.87	-101.80
CC(CNS(=O)(=O)C1=CC(F)=CC=C1O)(C(=O)[O-])C1=CC=CC=C1	REAL300010853102	1	39	-1.0	-55.56	341.50	3.97	-51.59
CC(CNS(=O)(=O)C1=CN=C(F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853103	0	37	-1.0	-45.63	343.70	4.84	-40.79
CC(CNS(=O)(=O)C1(Cl)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853104	0	35	-1.0	-48.46	311.31	5.42	-43.04
CC(CNS(=O)(=O)CCOC1(C#N)CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853105	0	50	-1.0	-61.26	409.75	3.91	-57.35
CCN1N=CC(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1Cl	REAL300010853106	0	41	-1.0	-53.94	355.63	4.66	-49.28
CC(CNS(=O)(=O)C1=CC=C(Cl)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853107	0	35	-1.0	-52.89	325.41	4.81	-48.08
CC(C[N-]S(=O)(=O)C1=CC=C(Cl)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853107	1	34	-2.0	-120.22	321.52	4.51	-115.71
CC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C12	REAL300010853108	0	47	-1.0	-58.14	380.72	9.14	-49.00
CC(CNS(=O)(=O)C1=CC=C(OCCF)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853109	0	45	-1.0	-52.13	384.02	6.57	-45.56
CC(CNS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853110	0	38	-1.0	-51.97	342.37	6.55	-45.42
CC(C[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853110	1	37	-2.0	-122.93	352.96	6.45	-116.48
CN1C=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300010853111	0	48	-1.0	-56.79	382.41	6.96	-49.83
CC(CNS(=O)(=O)N1CC2CC1C2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853112	0	41	-1.0	-47.89	332.38	5.15	-42.74
CC(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853113	0	42	-1.0	-48.94	364.38	7.45	-41.49
CCOCCCS(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853114	0	44	-1.0	-50.03	366.94	4.71	-45.32
CC(CNS(=O)(=O)CCC1NC(=O)NC1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300010853115	0	43	-1.0	-55.59	369.28	0.14	-55.45
CC(CNS(=O)(=O)C1=CN=C2C=CC=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300010853116	0	41	-1.0	-56.23	347.48	6.64	-49.59
CC(CNS(=O)(=O)C1CCC(F)(F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853117	0	44	-1.0	-58.86	358.61	6.74	-52.12
CC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853118	0	40	-1.0	-55.51	352.94	5.64	-49.87
CC(CNS(=O)(=O)CCOC1CCOC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853119	0	46	-1.0	-58.76	380.49	3.37	-55.39
CC(CNS(=O)(=O)CC1COCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853120	0	43	-1.0	-51.18	354.89	3.39	-47.79
CC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853121	0	55	-1.0	-49.82	403.08	9.08	-40.74
CC(CNS(=O)(=O)CCN1C=NN=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853122	0	39	-1.0	-62.27	340.45	4.06	-58.21
CC(CNS(=O)(=O)CC1CC(C)(C)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853123	0	48	-1.0	-52.93	386.24	5.68	-47.25
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853124	0	43	-1.0	-60.46	352.57	3.08	-57.38
CC(CNS(=O)(=O)CC1CS(=O)(=O)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853125	0	41	-1.0	-65.78	352.98	1.92	-63.86
CC(C)(CS(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C(C)(F)F	REAL300010853126	0	46	-1.0	-48.44	360.71	6.71	-41.73
CC(CNS(=O)(=O)CCCCS(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300010853127	0	46	-1.0	-60.82	396.55	3.01	-57.81
CC(CNS(=O)(=O)CC1CCC(C)(C)CO1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853128	0	51	-1.0	-49.33	394.69	6.62	-42.71
CC(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853129	0	48	-1.0	-49.20	396.61	8.49	-40.71
CC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300010853130	0	42	-1.0	-50.91	368.41	5.29	-45.62
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CC(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853146	0	50	-1.0	-55.72	386.12	6.65	-49.07
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CC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853150	1	34	-2.0	-116.66	346.86	5.99	-110.67
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CC(CNS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853152	0	43	-1.0	-51.05	378.75	6.88	-44.17
COC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853153	0	46	-1.0	-53.94	370.02	5.93	-48.01
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CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853174	0	37	-1.0	-51.70	349.05	4.22	-47.48
CC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853175	0	48	-1.0	-55.02	382.79	4.07	-50.95
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CC(CNS(=O)(=O)C1=C(C#N)OC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853177	0	36	-1.0	-55.94	311.42	4.18	-51.76
CC(CNS(=O)(=O)C1=C(C#N)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853178	0	36	-1.0	-59.93	329.78	5.44	-54.49
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CC1=C(C)C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C)S1	REAL300010853180	0	44	-1.0	-51.66	364.19	7.66	-44.00
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CC1=CC=NC=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853184	0	40	-1.0	-53.78	332.93	5.22	-48.56
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853185	0	40	-1.0	-50.93	361.21	5.32	-45.61
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CC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853194	0	45	-1.0	-57.81	373.96	7.19	-50.62
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CC(CNS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853198	0	45	-1.0	-59.27	381.86	8.44	-50.83
CC(CNS(=O)(=O)C1=CN=CC(C(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853199	0	40	-1.0	-55.47	351.23	5.36	-50.11
CC(CNS(=O)(=O)C1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853200	0	38	-1.0	-44.79	337.16	6.77	-38.02
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CC(CNS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853202	0	45	-1.0	-48.70	381.95	8.49	-40.21
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CC(CNS(=O)(=O)C1=CC(C(F)F)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853210	0	41	-1.0	-62.73	358.02	6.89	-55.84
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CC(CNS(=O)(=O)C1=CSN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853213	0	34	-1.0	-52.35	311.32	3.78	-48.57
CC(CNS(=O)(=O)C1=NC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853214	0	40	-1.0	-62.53	347.53	5.74	-56.79
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CC(CNS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853223	0	45	-1.0	-51.95	375.87	8.29	-43.66
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COC1=CC=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)F)=C1	REAL300010853225	0	45	-1.0	-52.75	378.73	6.61	-46.14
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COC(=O)C1=CC=NC=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853228	0	43	-1.0	-61.93	366.06	5.92	-56.01
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853229	0	44	-1.0	-64.33	370.47	7.49	-56.84
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853229	1	43	-2.0	-146.74	374.36	7.51	-139.23
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CCOC1=CC=CN=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853231	0	44	-1.0	-65.45	368.01	5.59	-59.86
CC(CNC(=O)N1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853232	0	46	-1.0	-47.87	358.51	10.53	-37.34
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CC(CNC(=O)N1CC2CCC1C2)(C(=O)[O-])C1=CC=CC=C1	REAL300010853234	0	43	-1.0	-49.78	328.66	8.88	-40.90
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CC(CNS(=O)(=O)N1CCC(F)(F)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853237	0	40	-1.0	-47.20	338.69	4.75	-42.45
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CC(CNC(=O)N1CC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853239	0	43	-1.0	-48.77	344.88	9.61	-39.16
CN(CCC1=CC=CC=C1)C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853240	0	48	-1.0	-48.04	381.67	11.05	-36.99
CC(CNC(=O)N1CCC(C(F)(F)F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853241	0	45	-1.0	-50.41	361.15	9.13	-41.28
CC(CNC(=O)N1C[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853242	0	49	-1.0	-50.68	370.03	9.61	-41.07
CC(CNC(=O)N1CCC[C@@H]2CCCC[C@@H]21)(C(=O)[O-])C1=CC=CC=C1	REAL300010853243	0	52	-1.0	-47.68	367.94	10.21	-37.47
CC(CNC(=O)N1CCC(F)(F)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853244	0	39	-1.0	-47.04	318.17	7.74	-39.30
CC1=CC(Cl)=CN=C1S(=O)(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853245	0	40	-1.0	-53.37	349.79	5.69	-47.68
CC(CNS(=O)(=O)C1=NC=CC=C1C(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300010853246	0	40	-1.0	-66.90	338.86	5.70	-61.20
CC1=C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C(Cl)S1	REAL300010853247	0	38	-1.0	-53.03	351.38	6.64	-46.39
CC(CNS(=O)(=O)C1=CN=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853248	0	34	-1.0	-52.95	308.58	3.37	-49.58
CC(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853249	0	40	-1.0	-56.51	351.12	5.17	-51.34
CC1CCCCN1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853250	0	45	-1.0	-48.46	334.28	9.02	-39.44
CC(CNC(=O)N1C[C@H]2CC[C@@](C)(C1)C2(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300010853251	0	55	-1.0	-49.64	393.32	10.86	-38.78
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CC(CNC(=O)N1CCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853254	0	45	-1.0	-47.92	334.35	9.52	-38.40
CC(CNC(=O)N1CCC(C)(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853255	0	48	-1.0	-46.60	352.66	9.36	-37.24
CCN(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300010853256	0	45	-1.0	-50.17	362.20	10.51	-39.66
CC(CNC(=O)N1CCCC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300010853257	0	46	-1.0	-48.44	351.58	10.89	-37.55
CC(CNC(=O)N1CCOC(C2CC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300010853258	0	47	-1.0	-48.40	365.55	8.29	-40.11
CC1=CC=C(O)C(S(=O)(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300010853259	0	42	-1.0	-55.66	352.83	4.63	-51.03
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CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1C	REAL300010853264	0	44	-1.0	-45.24	323.51	7.58	-37.66
COC(=O)CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1	REAL300010853265	0	41	-1.0	-50.53	336.31	5.80	-44.73
COC(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853266	0	38	-1.0	-71.01	319.24	7.13	-63.88
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853267	0	41	-1.0	-53.65	342.68	6.66	-46.99
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010853268	0	32	-1.0	-56.60	294.69	6.06	-50.54
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300010853269	0	38	-1.0	-52.75	326.82	6.04	-46.71
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853270	0	44	-1.0	-54.59	349.25	7.64	-46.95
CC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853271	0	41	-1.0	-54.32	326.28	7.00	-47.32
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853272	0	44	-1.0	-54.12	344.73	7.66	-46.46
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853273	0	43	-1.0	-56.40	362.38	3.03	-53.37
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010853274	0	36	-1.0	-46.05	307.03	2.12	-43.93
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853275	0	42	-1.0	-57.89	348.25	4.09	-53.80
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010853276	0	34	-1.0	-48.20	305.07	6.12	-42.08
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010853277	0	32	-1.0	-57.03	292.70	6.51	-50.52
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300010853278	0	29	-1.0	-50.11	276.88	4.78	-45.33
CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853279	0	41	-1.0	-54.45	330.44	7.29	-47.16
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010853280	0	32	-1.0	-50.30	298.14	6.06	-44.24
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Br	REAL300010853281	0	36	-1.0	-42.30	321.20	5.27	-37.03
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853282	0	43	-1.0	-71.77	351.58	4.08	-67.69
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010853283	0	32	-1.0	-48.51	277.17	5.14	-43.37
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010853284	0	32	-1.0	-49.95	306.50	6.34	-43.61
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC=C1Cl	REAL300010853285	0	32	-1.0	-55.40	276.82	5.44	-49.96
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853286	0	44	-1.0	-57.18	382.55	6.62	-50.56
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853287	0	44	-1.0	-68.57	375.08	7.77	-60.80
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010853288	0	32	-1.0	-60.71	281.46	5.60	-55.11
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010853289	0	31	-1.0	-49.84	284.90	3.95	-45.89
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010853290	0	32	-1.0	-54.26	290.07	5.74	-48.52
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010853291	0	35	-1.0	-56.44	318.28	7.31	-49.13
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1Br	REAL300010853292	0	35	-1.0	-42.24	310.81	6.49	-35.75
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1NC(C)=O	REAL300010853293	0	43	-1.0	-51.37	356.21	3.61	-47.76
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010853294	0	36	-1.0	-50.70	312.03	4.86	-45.84
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(C)=C1C	REAL300010853295	0	47	-1.0	-46.96	338.66	8.11	-38.85
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010853296	0	41	-1.0	-55.95	335.85	5.27	-50.68
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300010853297	0	37	-1.0	-40.96	315.50	6.49	-34.47
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Br)S1	REAL300010853298	0	29	-1.0	-50.05	281.52	4.90	-45.15
CC1=CC(Cl)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1Cl	REAL300010853299	0	38	-1.0	-42.15	323.95	7.54	-34.61
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853300	0	36	-1.0	-57.04	316.83	5.81	-51.23
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853301	0	50	-1.0	-53.92	370.75	8.94	-44.98
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010853302	0	48	-1.0	-54.25	375.09	9.14	-45.11
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010853303	0	35	-1.0	-51.01	304.78	6.07	-44.94
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010853304	0	42	-1.0	-55.29	335.75	7.81	-47.48
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853305	0	40	-1.0	-60.23	324.99	4.48	-55.75
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1OC	REAL300010853306	0	40	-1.0	-45.77	330.02	4.51	-41.26
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010853307	0	42	-1.0	-56.26	363.29	4.66	-51.60
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010853308	0	39	-1.0	-55.99	318.58	7.22	-48.77
CC(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)S1	REAL300010853309	0	39	-1.0	-56.31	342.50	3.33	-52.98
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010853310	0	40	-1.0	-54.94	320.54	7.47	-47.47
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010853311	0	32	-1.0	-55.34	279.74	5.29	-50.05
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853312	0	42	-1.0	-67.04	337.07	4.65	-62.39
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010853313	0	29	-1.0	-49.74	283.34	4.99	-44.75
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853314	0	47	-1.0	-54.42	369.51	8.58	-45.84
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010853315	0	38	-1.0	-47.65	300.62	7.15	-40.50
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010853316	0	42	-1.0	-55.15	340.23	8.48	-46.67
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010853317	0	35	-1.0	-49.70	315.59	6.44	-43.26
CC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853318	0	35	-1.0	-53.97	287.23	5.82	-48.15
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010853319	0	32	-1.0	-50.90	308.99	6.99	-43.91
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853320	0	47	-1.0	-54.05	356.48	7.86	-46.19
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Cl	REAL300010853321	0	35	-1.0	-45.57	306.76	6.41	-39.16
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CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1F	REAL300010853339	0	35	-1.0	-46.82	298.02	6.01	-40.81
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COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CCC3)C=C2)C=C1	REAL300010853342	0	47	-1.0	-45.16	386.87	7.37	-37.79
CC(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Cl	REAL300010853343	0	39	-1.0	-48.17	341.44	4.82	-43.35
CN(C1CCCCC1)S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853344	0	43	-1.0	-54.60	322.33	5.56	-49.04
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C2=CC=CC=C12	REAL300010853345	0	48	-1.0	-56.73	371.35	8.02	-48.71
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CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853374	0	35	-1.0	-53.70	297.57	6.27	-47.43
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853375	0	48	-1.0	-53.69	377.96	7.40	-46.29
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CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853377	0	45	-1.0	-53.83	359.00	6.79	-47.04
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853378	0	42	-1.0	-53.87	338.89	6.09	-47.78
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Cl	REAL300010853379	0	36	-1.0	-42.25	316.81	5.16	-37.09
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COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1C	REAL300010853381	0	39	-1.0	-46.16	320.87	5.35	-40.81
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COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853390	0	38	-1.0	-65.62	337.16	7.62	-58.00
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COC1=CC(F)=CC(F)=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853392	0	36	-1.0	-43.02	308.97	5.75	-37.27
CC1=CC(C#N)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853393	0	36	-1.0	-53.27	301.53	6.14	-47.13
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(F)=C1	REAL300010853394	0	33	-1.0	-55.73	294.08	5.62	-50.11
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853395	0	36	-1.0	-51.55	319.36	6.29	-45.26
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1OC	REAL300010853396	0	42	-1.0	-45.37	353.38	6.01	-39.36
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1C	REAL300010853397	0	41	-1.0	-43.51	342.09	6.49	-37.02
COC(=O)CCN(C)S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853398	0	39	-1.0	-56.35	320.13	3.89	-52.46
CS(=O)(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1	REAL300010853399	0	42	-1.0	-60.37	346.04	0.99	-59.38
CN(C1CCOCC1)S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853400	0	41	-1.0	-53.98	318.63	3.35	-50.63
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CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1C	REAL300010853403	0	41	-1.0	-49.36	324.13	5.02	-44.34
CC(C)N1C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=N1	REAL300010853404	0	38	-1.0	-56.00	317.79	4.40	-51.60
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853405	0	41	-1.0	-51.83	333.75	6.58	-45.25
CC(C)N1C=NC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853406	0	38	-1.0	-48.14	316.98	5.67	-42.47
CC(C)C1=NC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CN1	REAL300010853407	0	38	-1.0	-57.73	315.69	3.72	-54.01
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853408	0	44	-1.0	-45.81	319.80	7.71	-38.10
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COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CN1	REAL300010853418	0	36	-1.0	-60.65	316.39	3.65	-57.00
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COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853421	0	38	-1.0	-46.16	332.57	6.19	-39.97
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N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(C(F)(F)F)=C1	REAL300010853423	0	36	-1.0	-58.02	322.06	7.18	-50.84
N#CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1Cl	REAL300010853424	0	33	-1.0	-38.07	307.51	6.10	-31.97
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853425	0	48	-1.0	-55.01	385.26	7.09	-47.92
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CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853428	0	40	-1.0	-56.98	342.66	1.24	-55.74
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COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)O1	REAL300010853430	0	35	-1.0	-43.06	311.06	4.11	-38.95
COC(=O)C1=C(C)OC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853431	0	38	-1.0	-51.58	331.13	4.79	-46.79
CC1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)S1	REAL300010853432	0	34	-1.0	-43.97	291.29	3.76	-40.21
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010853433	0	34	-1.0	-63.71	293.09	6.54	-57.17
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CCOC(=O)C1=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C(C)N1	REAL300010853435	0	45	-1.0	-58.15	367.11	5.94	-52.21
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010853436	0	32	-1.0	-44.17	286.30	6.13	-38.04
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CCC3)S2)=CS1	REAL300010853437	0	38	-1.0	-46.53	348.20	5.82	-40.71
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010853438	0	52	-1.0	-53.83	400.62	8.69	-45.14
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC(C(=O)NCC(F)(F)F)=C1	REAL300010853439	0	42	-1.0	-53.56	368.55	4.87	-48.69
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC(I)=C1	REAL300010853440	0	32	-1.0	-43.93	299.07	6.39	-37.54
COC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853441	0	41	-1.0	-58.75	335.56	6.41	-52.34
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010853442	0	34	-1.0	-65.13	308.46	7.57	-57.56
COC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1OC	REAL300010853443	0	40	-1.0	-56.29	332.00	4.43	-51.86
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1OC	REAL300010853444	0	43	-1.0	-57.57	348.55	5.48	-52.09
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010853445	0	34	-1.0	-60.96	306.45	7.60	-53.36
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010853446	0	35	-1.0	-47.45	311.43	6.21	-41.24
N#CC1=CC(F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853447	0	33	-1.0	-52.42	286.70	5.34	-47.08
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CC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853450	0	35	-1.0	-56.33	295.29	6.29	-50.04
COC(=O)CN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=N1	REAL300010853451	0	38	-1.0	-64.04	332.41	4.09	-59.95
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010853452	0	38	-1.0	-53.81	317.61	7.54	-46.27
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010853453	0	37	-1.0	-54.18	329.62	7.45	-46.73
CC1=C(Br)SC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853454	0	32	-1.0	-52.00	306.22	5.64	-46.36
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COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC(F)=C1F	REAL300010853456	0	38	-1.0	-49.95	338.85	6.08	-43.87
O=C([O-])CN(C1CCC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010853457	0	50	-1.0	-42.95	358.10	6.96	-35.99
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])C3CCC3)C=CC=C2C=C1	REAL300010853458	0	40	-1.0	-67.75	328.81	6.96	-60.79
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CC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1Br	REAL300010853460	0	35	-1.0	-55.36	297.12	6.08	-49.28
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853461	0	38	-1.0	-66.06	332.99	6.71	-59.35
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010853462	0	40	-1.0	-53.29	331.06	3.08	-50.21
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1[N+](=O)[O-]	REAL300010853463	0	38	-1.0	-42.79	326.82	6.05	-36.74
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853464	0	38	-1.0	-54.02	320.77	6.80	-47.22
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=N1	REAL300010853465	0	39	-1.0	-42.89	328.60	2.85	-40.04
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C2=CC=CC=C12	REAL300010853466	0	45	-1.0	-56.80	353.39	7.40	-49.40
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853467	0	42	-1.0	-60.65	338.65	6.77	-53.88
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300010853468	0	37	-1.0	-69.12	321.36	5.48	-63.64
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300010853469	0	39	-1.0	-56.05	333.60	6.43	-49.62
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CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853472	0	46	-1.0	-56.61	372.87	5.53	-51.08
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853473	0	48	-1.0	-53.71	381.89	7.65	-46.06
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-]	REAL300010853474	0	34	-1.0	-62.09	299.20	7.06	-55.03
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1F	REAL300010853475	0	38	-1.0	-42.25	330.63	5.97	-36.28
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C(Cl)C=C1Cl	REAL300010853476	0	38	-1.0	-50.36	344.02	6.48	-43.88
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853477	0	42	-1.0	-61.74	350.19	5.85	-55.89
COC(=O)C1=CSC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853478	0	35	-1.0	-42.09	316.83	4.94	-37.15
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853479	0	44	-1.0	-47.49	352.89	6.92	-40.57
COC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1C	REAL300010853480	0	41	-1.0	-47.14	342.13	6.48	-40.66
COC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853481	0	38	-1.0	-59.05	328.06	5.86	-53.19
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300010853482	0	42	-1.0	-46.18	322.34	7.60	-38.58
O=C([O-])CN(C1CCC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300010853483	0	38	-1.0	-60.76	321.43	7.12	-53.64
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O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300010853485	0	36	-1.0	-50.84	322.43	6.53	-44.31
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(F)C(Br)=C1	REAL300010853486	0	32	-1.0	-38.85	298.30	5.97	-32.88
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300010853487	0	39	-1.0	-66.92	337.64	3.20	-63.72
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853488	0	35	-1.0	-55.82	308.08	6.79	-49.03
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1Br	REAL300010853489	0	36	-1.0	-42.60	321.23	5.27	-37.33
CC1(C)CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CCC3)=CC=C2O1	REAL300010853490	0	43	-1.0	-54.56	349.32	6.51	-48.05
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1F	REAL300010853491	0	40	-1.0	-47.84	350.24	2.07	-45.77
CCC(=O)NCC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1OC	REAL300010853492	0	49	-1.0	-47.79	402.21	4.46	-43.33
COC1=CC=C(Br)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853493	0	36	-1.0	-44.55	309.58	4.91	-39.64
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853494	0	41	-1.0	-47.02	353.46	3.72	-43.30
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2N=C(Cl)SC2=C1	REAL300010853495	0	34	-1.0	-51.20	321.31	5.22	-45.98
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853496	0	37	-1.0	-50.06	319.03	5.96	-44.10
N#CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853497	0	33	-1.0	-51.74	315.17	6.32	-45.42
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Br	REAL300010853498	0	39	-1.0	-42.20	343.05	6.20	-36.00
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CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CCC3)C=C2S1	REAL300010853500	0	46	-1.0	-53.87	386.04	7.26	-46.61
COC(=O)CC1(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)CC1	REAL300010853501	0	41	-1.0	-50.53	336.31	5.80	-44.73
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853502	0	37	-1.0	-61.53	326.19	5.38	-56.15
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300010853503	0	37	-1.0	-54.03	309.00	4.61	-49.42
O=C([O-])CN(C1CCC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300010853504	0	40	-1.0	-66.38	336.89	6.60	-59.78
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CN1C(=O)N(C)C2=CC(S(=O)(=O)N(CC(=O)[O-])C3CCC3)=CC=C21	REAL300010853506	0	42	-1.0	-57.72	353.28	6.24	-51.48
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300010853507	0	37	-1.0	-59.98	321.50	5.51	-54.47
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(C)=C1	REAL300010853508	0	42	-1.0	-54.53	332.11	5.98	-48.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853509	0	40	-1.0	-55.61	347.91	1.46	-54.15
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853510	0	41	-1.0	-66.48	345.23	7.29	-59.19
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CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853512	0	36	-1.0	-54.20	306.24	6.09	-48.11
CCCOC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853513	0	44	-1.0	-53.37	364.18	7.45	-45.92
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CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853515	0	43	-1.0	-56.74	338.26	6.96	-49.78
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CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853521	0	48	-1.0	-61.25	381.19	6.00	-55.25
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1OCC	REAL300010853522	0	46	-1.0	-45.83	373.72	6.35	-39.48
CN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(=O)N(C)C1=O	REAL300010853523	0	38	-1.0	-56.04	319.99	4.30	-51.74
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CC(=O)N1CCCC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CCC3)=CC=C21	REAL300010853527	0	46	-1.0	-60.77	363.96	6.88	-53.89
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1C	REAL300010853528	0	40	-1.0	-45.20	322.61	6.84	-38.36
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853529	0	38	-1.0	-54.08	320.82	5.73	-48.35
CC(=O)N1CCC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CCC3)=CC=C21	REAL300010853530	0	43	-1.0	-58.79	351.90	6.42	-52.37
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COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1F	REAL300010853911	0	36	-1.0	-42.62	307.02	4.68	-37.94
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853912	0	43	-1.0	-62.93	356.00	5.42	-57.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853913	0	46	-1.0	-61.25	383.10	6.67	-54.58
CC(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853914	0	41	-1.0	-59.84	328.37	7.52	-52.32
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COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853916	0	40	-1.0	-64.11	348.61	7.77	-56.34
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CN(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1	REAL300010853918	0	40	-1.0	-56.57	318.55	5.49	-51.08
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC(=O)[O-])C3CCC3)=CC=C2O1	REAL300010853919	0	47	-1.0	-53.92	396.72	8.01	-45.91
O=C([O-])CN(C1CCC1)S(=O)(=O)CCC1=CC=CS1	REAL300010853920	0	35	-1.0	-43.27	302.87	5.84	-37.43
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853921	0	44	-1.0	-58.42	357.42	7.34	-51.08
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010853922	0	32	-1.0	-52.86	301.55	6.15	-46.71
CC1=C(Cl)SC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853923	0	32	-1.0	-51.85	302.00	5.55	-46.30
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010853924	0	38	-1.0	-55.01	318.73	5.84	-49.17
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(F)=C1	REAL300010853925	0	36	-1.0	-57.74	302.80	4.52	-53.22
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1[N+](=O)[O-]	REAL300010853926	0	40	-1.0	-69.07	323.57	8.07	-61.00
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010853927	0	38	-1.0	-56.44	327.04	6.85	-49.59
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(C)=C1[N+](=O)[O-]	REAL300010853928	0	42	-1.0	-38.66	355.00	7.96	-30.70
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853929	0	35	-1.0	-51.77	316.85	6.93	-44.84
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010853930	0	37	-1.0	-54.07	314.21	5.69	-48.38
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)C(F)=C1	REAL300010853931	0	38	-1.0	-59.21	323.73	6.77	-52.44
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1[N+](=O)[O-]	REAL300010853932	0	40	-1.0	-55.11	328.25	7.08	-48.03
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010853933	0	32	-1.0	-56.23	298.09	6.18	-50.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C(C)=C1[N+](=O)[O-]	REAL300010853934	0	42	-1.0	-38.66	355.00	7.96	-30.70
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010853935	0	31	-1.0	-47.70	290.76	4.00	-43.70
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010853936	0	32	-1.0	-39.12	307.42	6.38	-32.74
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010853937	0	43	-1.0	-45.22	367.84	5.13	-40.09
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010853938	0	32	-1.0	-42.33	292.40	5.70	-36.63
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853939	0	42	-1.0	-48.81	330.78	6.85	-41.96
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=N1	REAL300010853940	0	35	-1.0	-52.64	300.21	2.01	-50.63
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=CC=C1C#N	REAL300010853941	0	36	-1.0	-41.37	311.27	6.20	-35.17
COC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1F	REAL300010853942	0	38	-1.0	-42.11	330.60	6.00	-36.11
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CCC1	REAL300010853943	0	36	-1.0	-57.18	312.26	5.71	-51.47
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010853944	0	33	-1.0	-56.03	300.53	4.09	-51.94
O=C([O-])CN(C1CCC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010853945	0	45	-1.0	-61.20	360.35	8.56	-52.64
CC(C)(C)C1=CC(CS(=O)(=O)N(CC(=O)[O-])C2CCC2)=NO1	REAL300010853946	0	43	-1.0	-59.05	354.93	6.05	-53.00
O=C([O-])CN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)C1CCC1	REAL300010853947	0	49	-1.0	-45.67	359.59	10.93	-34.74
CN(C)C1=CC=CC2=C(S(=O)(=O)N(CC(=O)[O-])C3CCC3)C=CC=C12	REAL300010853948	0	46	-1.0	-56.37	359.18	7.02	-49.35
COC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853949	0	39	-1.0	-57.02	311.50	5.10	-51.92
COC(=O)C1=CN=CC(S(=O)(=O)N(CC(=O)[O-])C2CCC2)=C1	REAL300010853950	0	37	-1.0	-43.86	321.29	4.15	-39.71
N#CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)C=C1Br	REAL300010853951	0	33	-1.0	-42.06	311.79	6.20	-35.86
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010853952	0	34	-1.0	-50.60	317.48	6.48	-44.12
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COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CCC2)S1	REAL300010853954	0	38	-1.0	-52.16	352.18	6.20	-45.96
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CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010855227	0	34	-1.0	-44.93	300.16	5.70	-39.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010855228	0	34	-1.0	-41.38	310.20	5.79	-35.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300010855229	0	34	-1.0	-49.29	304.36	5.80	-43.49
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1SC	REAL300010855230	0	35	-1.0	-47.33	298.64	5.45	-41.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1	REAL300010855231	0	38	-1.0	-52.78	335.76	4.07	-48.71
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010855232	0	42	-1.0	-65.60	342.44	4.62	-60.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010855233	0	43	-1.0	-65.02	355.55	4.12	-60.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010855234	0	37	-1.0	-43.56	350.35	2.94	-40.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010855235	0	39	-1.0	-48.74	331.19	5.59	-43.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010855236	0	41	-1.0	-49.88	352.61	3.92	-45.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010855237	0	39	-1.0	-46.29	319.50	5.23	-41.06
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010855238	0	34	-1.0	-41.82	314.33	6.03	-35.79
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300010855239	0	41	-1.0	-46.87	347.87	5.33	-41.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)SC=C1C	REAL300010855240	0	37	-1.0	-50.35	317.70	5.73	-44.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300010855241	0	35	-1.0	-47.93	296.88	3.85	-44.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300010855242	0	42	-1.0	-50.02	353.37	5.02	-45.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300010855243	0	45	-1.0	-47.48	381.92	6.07	-41.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010855244	0	45	-1.0	-45.52	380.40	8.27	-37.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC	REAL300010855245	0	39	-1.0	-44.16	338.40	6.64	-37.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010855246	0	31	-1.0	-39.95	307.23	5.80	-34.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010855247	0	43	0.0	-65.63	348.26	6.72	-58.91
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010855248	0	39	-1.0	-46.22	320.97	5.21	-41.01
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C2O1	REAL300010855249	0	46	-1.0	-43.97	391.68	7.51	-36.46
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855250	0	43	-1.0	-46.89	354.07	6.94	-39.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010855251	0	31	-1.0	-40.78	298.38	5.70	-35.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300010855252	0	31	-1.0	-47.36	291.15	4.81	-42.55
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010855253	0	37	-1.0	-46.73	315.61	5.33	-41.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300010855254	0	35	-1.0	-45.87	300.59	4.02	-41.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300010855255	0	39	-1.0	-47.97	321.83	7.76	-40.21
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010855256	0	37	-1.0	-44.20	330.87	6.60	-37.60
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010855257	0	41	-1.0	-38.68	346.17	7.26	-31.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300010855258	0	34	-1.0	-39.40	307.16	6.09	-33.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010855259	0	36	-1.0	-49.87	309.21	5.08	-44.79
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300010855260	0	37	-1.0	-44.85	320.41	6.26	-38.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300010855261	0	39	-1.0	-43.57	324.41	6.61	-36.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010855262	0	31	-1.0	-43.16	294.04	5.64	-37.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010855263	0	33	-1.0	-39.35	315.63	7.01	-32.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010855264	0	41	-1.0	-38.68	346.17	7.26	-31.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010855265	0	30	-1.0	-44.96	279.53	3.08	-41.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010855266	0	31	-1.0	-47.07	297.90	5.49	-41.58
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010855267	0	42	-1.0	-46.49	366.39	4.64	-41.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010855268	0	31	-1.0	-49.59	281.01	4.83	-44.76
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300010855269	0	41	-1.0	-48.79	326.35	6.27	-42.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010855270	0	37	-1.0	-50.44	321.06	5.10	-45.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300010855271	0	35	-1.0	-45.34	310.44	5.22	-40.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010855272	0	32	-1.0	-42.05	295.51	3.50	-38.55
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010855273	0	44	-1.0	-42.60	356.68	8.14	-34.46
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010855274	0	42	-1.0	-43.75	351.80	5.55	-38.20
CCC(C(=O)[O-])N(C)C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010855275	0	48	-1.0	-51.25	359.09	10.68	-40.57
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010855276	0	45	-1.0	-47.37	359.15	6.69	-40.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300010855277	0	38	-1.0	-46.34	306.31	4.63	-41.71
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300010855278	0	36	-1.0	-49.15	311.39	3.27	-45.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010855279	0	32	-1.0	-47.64	302.41	5.46	-42.18
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010855280	0	33	-1.0	-39.53	315.27	6.14	-33.39
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300010855281	0	38	-1.0	-43.08	325.66	5.27	-37.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300010855282	0	37	-1.0	-37.91	342.17	5.61	-32.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010855283	0	38	-1.0	-45.63	318.66	4.63	-41.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300010855284	0	39	-1.0	-44.59	335.04	4.36	-40.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010855285	0	35	-1.0	-50.18	307.22	4.13	-46.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010855286	0	34	-1.0	-47.08	306.25	5.63	-41.45
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300010855287	0	42	-1.0	-54.16	353.61	1.45	-52.71
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C2S1	REAL300010855288	0	43	-1.0	-46.36	382.64	7.76	-38.60
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010855289	0	37	-1.0	-60.45	316.81	4.01	-56.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010855290	0	36	-1.0	-55.19	326.15	0.35	-54.84
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300010855291	0	37	-1.0	-44.89	326.34	5.49	-39.40
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855292	0	39	-1.0	-50.41	338.74	6.37	-44.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300010855293	0	35	-1.0	-43.46	309.28	4.61	-38.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300010855294	0	37	-1.0	-51.78	295.10	3.53	-48.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010855295	0	37	-1.0	-42.97	336.36	5.88	-37.09
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300010855296	0	37	-1.0	-47.75	314.38	5.95	-41.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010855297	0	31	-1.0	-40.46	293.07	5.65	-34.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300010855298	0	37	-1.0	-48.33	289.65	5.97	-42.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010855299	0	31	-1.0	-40.35	296.64	5.81	-34.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300010855300	0	41	-1.0	-48.52	344.05	1.90	-46.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010855301	0	33	-1.0	-39.42	315.37	5.90	-33.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010855302	0	33	-1.0	-38.26	312.30	5.86	-32.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010855303	0	31	-1.0	-47.77	282.71	5.50	-42.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010855304	0	32	-1.0	-48.65	289.92	3.21	-45.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010855305	0	31	-1.0	-45.03	291.72	5.33	-39.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300010855306	0	41	-1.0	-50.96	343.69	5.27	-45.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010855307	0	31	-1.0	-39.83	296.53	5.82	-34.01
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010855308	0	34	-1.0	-43.48	308.46	5.97	-37.51
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300010855309	0	34	-1.0	-55.64	305.48	2.02	-53.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010855309	1	33	-2.0	-91.35	302.77	0.98	-90.37
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010855310	0	34	-1.0	-43.42	313.03	6.07	-37.35
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010855311	0	35	-1.0	-47.20	319.27	2.01	-45.19
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855312	0	40	-1.0	-49.08	330.74	6.82	-42.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300010855313	0	39	-1.0	-65.26	320.55	2.41	-62.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010855314	0	35	-1.0	-47.05	323.83	2.12	-44.93
CCOC1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855315	0	38	-1.0	-45.64	319.38	4.94	-40.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010855316	0	42	-1.0	-56.86	337.35	5.83	-51.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010855317	0	35	-1.0	-49.09	318.08	5.66	-43.43
CCC(C(=O)[O-])N(C)S(=O)(=O)N(CCC#N)CCOC	REAL300010855318	0	40	-1.0	-53.36	321.29	3.41	-49.95
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300010855319	0	38	-1.0	-55.60	331.96	5.19	-50.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010855320	0	34	-1.0	-46.52	293.75	3.37	-43.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010855321	0	32	-1.0	-45.67	299.61	5.40	-40.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010855322	0	32	-1.0	-42.90	301.56	5.61	-37.29
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300010855323	0	37	-1.0	-39.73	319.80	6.51	-33.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1	REAL300010855324	0	48	-1.0	-53.46	406.78	4.56	-48.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010855325	0	37	-1.0	-48.04	321.41	5.91	-42.13
CCC(C(=O)[O-])N(C)S(=O)(=O)CCOCCOCCOC	REAL300010855326	0	45	-1.0	-56.15	370.52	1.82	-54.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300010855327	0	41	-1.0	-50.96	353.93	2.15	-48.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010855328	0	31	-1.0	-46.67	288.98	5.58	-41.09
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300010855329	0	48	-1.0	-47.91	380.72	6.78	-41.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300010855330	0	40	-1.0	-49.20	346.28	5.94	-43.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC	REAL300010855331	0	41	-1.0	-49.76	355.90	6.46	-43.30
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855332	0	40	-1.0	-44.97	340.10	7.28	-37.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300010855333	0	40	-1.0	-43.95	336.49	7.09	-36.86
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C(=O)NC)C=C1	REAL300010855334	0	41	-1.0	-61.67	342.27	3.50	-58.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC	REAL300010855335	0	45	-1.0	-53.83	380.92	5.79	-48.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010855336	0	31	-1.0	-43.13	287.70	5.25	-37.88
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010855337	0	44	-1.0	-57.96	362.78	6.18	-51.78
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010855338	0	40	-1.0	-41.89	360.20	6.69	-35.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010855339	0	33	-1.0	-46.68	313.44	6.50	-40.18
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010855340	0	40	-1.0	-63.00	323.18	1.68	-61.32
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855341	0	39	-1.0	-53.60	317.86	5.52	-48.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300010855342	0	42	-1.0	-53.91	357.16	4.56	-49.35
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C(F)C=C1C	REAL300010855343	0	43	-1.0	-44.54	363.38	6.89	-37.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300010855344	0	45	-1.0	-51.05	379.56	2.92	-48.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300010855345	0	42	-1.0	-51.23	348.31	4.35	-46.88
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855346	0	44	-1.0	-50.99	369.72	6.23	-44.76
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C1C	REAL300010855347	0	43	-1.0	-49.70	354.11	6.60	-43.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010855348	0	34	-1.0	-46.21	299.59	5.98	-40.23
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855349	0	43	-1.0	-48.73	366.83	7.08	-41.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC	REAL300010855350	0	37	-1.0	-44.83	334.89	6.82	-38.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010855351	0	34	-1.0	-40.81	302.38	6.42	-34.39
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(C)COC1CCCC1	REAL300010855352	0	47	-1.0	-40.85	368.75	6.20	-34.65
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=C(C)N=CS1	REAL300010855353	0	36	-1.0	-54.43	310.82	3.73	-50.70
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010855354	0	37	-1.0	-54.82	324.03	6.52	-48.30
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855355	0	40	-1.0	-47.26	347.55	6.30	-40.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010855356	0	41	-1.0	-49.21	342.22	8.13	-41.08
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855357	0	45	-1.0	-48.33	388.52	2.53	-45.80
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Br	REAL300010855358	0	34	-1.0	-45.41	309.96	6.03	-39.38
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CN1C	REAL300010855359	0	43	-1.0	-54.33	364.45	5.79	-48.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010855360	0	37	-1.0	-57.69	332.26	2.40	-55.29
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010855361	0	35	-1.0	-47.16	315.77	5.58	-41.58
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010855362	0	34	-1.0	-45.92	303.55	5.67	-40.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300010855363	0	33	-1.0	-42.18	285.66	3.70	-38.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300010855364	0	34	-1.0	-49.97	309.48	4.20	-45.77
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010855365	0	32	-1.0	-45.35	284.82	3.27	-42.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1	REAL300010855366	0	44	-1.0	-51.16	360.16	5.56	-45.60
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010855367	0	34	-2.0	-102.84	310.05	4.38	-98.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010855367	1	35	-1.0	-41.46	312.73	3.73	-37.73
CCOC(=O)CC1(S(=O)(=O)N(C)C(CC)C(=O)[O-])CC1	REAL300010855368	0	40	-1.0	-47.44	323.48	6.03	-41.41
CCC(C(=O)[O-])N(C)S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010855369	0	48	-1.0	-59.34	406.90	5.02	-54.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010855370	0	32	-1.0	-38.88	312.07	5.72	-33.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300010855371	0	42	-1.0	-52.21	364.13	4.28	-47.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300010855372	0	46	-1.0	-50.98	374.85	7.40	-43.58
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855373	0	43	-1.0	-51.51	373.04	3.95	-47.56
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010855374	0	36	-1.0	-51.33	307.82	1.68	-49.65
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300010855375	0	43	-1.0	-44.13	342.39	5.93	-38.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010855376	0	30	-1.0	-45.01	293.08	3.59	-41.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300010855377	0	38	-1.0	-50.31	333.51	4.64	-45.67
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300010855378	0	37	-1.0	-47.03	315.86	6.00	-41.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010855379	0	42	-1.0	-42.47	375.30	8.17	-34.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300010855380	0	40	-1.0	-48.46	344.93	6.27	-42.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010855381	0	33	-1.0	-50.19	298.03	4.54	-45.65
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010855382	0	37	-1.0	-42.86	331.37	6.76	-36.10
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300010855383	0	40	-1.0	-45.12	326.83	5.15	-39.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010855384	0	31	-1.0	-41.18	300.54	5.02	-36.16
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010855385	0	35	-1.0	-48.03	318.40	5.83	-42.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300010855386	0	34	-1.0	-50.07	307.27	6.20	-43.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300010855387	0	44	-1.0	-54.11	371.54	4.78	-49.33
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855388	0	47	-1.0	-53.62	393.36	5.81	-47.81
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300010855389	0	46	-1.0	-59.66	348.69	6.15	-53.51
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1	REAL300010855390	0	39	-1.0	-43.03	334.23	4.17	-38.86
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010855391	0	35	-1.0	-44.47	317.42	4.62	-39.85
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855392	0	40	-1.0	-42.91	361.39	6.81	-36.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010855393	0	32	-1.0	-48.27	288.61	5.00	-43.27
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010855394	0	47	-1.0	-62.16	395.10	6.49	-55.67
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010855395	0	33	-1.0	-45.22	305.17	4.06	-41.16
CCC(C(=O)[O-])N(C)S(=O)(=O)CC12CCC(CC1)CC2	REAL300010855396	0	44	-1.0	-55.78	319.44	6.58	-49.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010855397	0	40	-1.0	-52.38	326.71	6.16	-46.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010855398	0	32	-1.0	-50.13	300.89	4.02	-46.11
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010855399	0	37	-1.0	-57.32	317.93	6.20	-51.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010855400	0	34	-1.0	-46.96	299.69	3.31	-43.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010855401	0	33	-1.0	-39.43	311.22	6.91	-32.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F	REAL300010855402	0	40	-1.0	-43.91	342.49	6.01	-37.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1	REAL300010855403	0	39	-1.0	-44.01	344.49	6.11	-37.90
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1CCCCC1(F)F	REAL300010855404	0	40	-1.0	-51.38	315.10	5.75	-45.63
CCC(C(=O)[O-])N(C)S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010855405	0	41	-1.0	-44.07	347.22	5.61	-38.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300010855406	0	58	-1.0	-52.22	419.23	10.01	-42.21
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010855407	0	36	-1.0	-48.25	319.00	6.33	-41.92
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855408	0	43	-1.0	-57.82	362.43	6.92	-50.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1C(=O)OC	REAL300010855409	0	36	-1.0	-46.85	304.99	4.55	-42.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300010855410	0	38	-1.0	-49.58	329.91	4.70	-44.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300010855411	0	43	-1.0	-46.40	352.18	6.44	-39.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010855412	0	39	-1.0	-44.09	330.43	5.78	-38.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010855413	0	34	-1.0	-46.66	304.18	5.18	-41.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010855414	0	34	-1.0	-46.77	318.67	6.71	-40.06
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(F)=C1	REAL300010855415	0	45	-1.0	-51.00	391.86	3.13	-47.87
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(F)=C1	REAL300010855415	1	44	-2.0	-106.59	384.33	3.19	-103.40
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010855416	0	34	-1.0	-41.05	318.70	6.24	-34.81
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010855417	0	40	-1.0	-52.41	352.38	3.08	-49.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300010855418	0	40	-1.0	-47.23	335.27	7.77	-39.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C	REAL300010855419	0	40	-1.0	-43.68	345.53	6.35	-37.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010855420	0	46	-1.0	-53.03	390.99	5.29	-47.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300010855421	0	44	-1.0	-50.72	366.34	5.18	-45.54
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010855422	0	34	-1.0	-55.05	304.23	5.78	-49.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010855423	0	37	-1.0	-49.18	316.46	7.06	-42.12
CCC1=CC(CC)=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(CC)=C1	REAL300010855424	0	49	-1.0	-50.77	357.79	8.65	-42.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300010855425	0	50	-1.0	-47.17	410.89	5.51	-41.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010855426	0	38	-1.0	-56.34	317.42	4.24	-52.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010855427	0	33	-1.0	-50.65	310.03	4.49	-46.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300010855428	0	39	-1.0	-47.35	338.54	4.52	-42.83
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010855429	0	39	-1.0	-46.45	339.13	3.40	-43.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010855430	0	36	-1.0	-55.30	315.65	-0.56	-55.86
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010855431	0	42	-1.0	-62.92	335.28	1.62	-61.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300010855432	0	35	-1.0	-47.59	306.72	4.33	-43.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010855433	0	34	-1.0	-43.42	300.51	2.11	-41.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC	REAL300010855434	0	44	-1.0	-55.49	358.21	5.09	-50.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300010855435	0	40	-1.0	-47.69	334.95	7.66	-40.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010855436	0	35	-1.0	-44.70	310.04	5.07	-39.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010855437	0	35	-1.0	-44.54	320.38	5.52	-39.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1	REAL300010855438	0	40	-1.0	-54.25	343.82	5.98	-48.27
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300010855439	0	44	-1.0	-60.03	352.97	6.47	-53.56
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300010855440	0	35	-1.0	-45.74	300.11	4.76	-40.98
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010855441	0	34	-1.0	-40.49	328.47	6.59	-33.90
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010855442	0	34	-1.0	-53.10	319.19	6.40	-46.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010855443	0	34	-1.0	-46.55	301.45	3.66	-42.89
CCC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010855444	0	39	-1.0	-54.12	324.17	6.24	-47.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300010855445	0	47	-1.0	-48.73	369.47	6.98	-41.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010855446	0	38	-1.0	-48.48	343.41	7.22	-41.26
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010855447	0	38	-1.0	-60.48	328.04	6.39	-54.09
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300010855448	0	34	-1.0	-41.50	311.22	2.06	-39.44
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(F)=C1	REAL300010855449	0	40	-1.0	-44.79	347.68	6.31	-38.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1	REAL300010855450	0	40	-1.0	-49.66	355.14	6.15	-43.51
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010855451	0	34	-1.0	-54.76	302.49	5.85	-48.91
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300010855452	0	34	-1.0	-47.65	296.88	5.59	-42.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010855453	0	37	-1.0	-58.69	309.54	5.47	-53.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300010855454	0	40	-1.0	-44.83	356.13	6.29	-38.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300010855455	0	37	-1.0	-45.95	341.28	5.94	-40.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300010855456	0	40	-1.0	-47.94	346.11	6.00	-41.94
CCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855457	0	38	-1.0	-44.65	320.73	4.96	-39.69
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300010855458	0	37	-1.0	-55.36	318.23	6.39	-48.97
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCC1CCOCC1	REAL300010855459	0	44	-1.0	-55.80	340.68	4.67	-51.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010855460	0	46	-1.0	-46.18	384.01	2.54	-43.64
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010855461	0	39	-1.0	-47.70	312.55	6.02	-41.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010855462	0	38	-1.0	-49.26	334.49	2.60	-46.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010855463	0	31	-1.0	-47.21	284.36	4.98	-42.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(Br)S1	REAL300010855464	0	31	-1.0	-42.49	294.75	5.13	-37.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010855465	0	40	-1.0	-50.30	327.39	5.28	-45.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=COC(C(=O)N(C)C)=C1C	REAL300010855466	0	41	-1.0	-48.46	337.76	3.76	-44.70
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010855467	0	37	-1.0	-53.41	313.35	6.15	-47.26
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1F	REAL300010855468	0	37	-1.0	-43.87	320.75	6.35	-37.52
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010855469	0	37	-1.0	-42.95	327.87	6.69	-36.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(F)C=C1OC	REAL300010855470	0	35	-1.0	-42.58	320.97	5.46	-37.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O	REAL300010855471	0	46	-1.0	-52.66	369.80	3.80	-48.86
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1	REAL300010855472	0	42	-1.0	-54.45	352.56	4.93	-49.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1	REAL300010855473	0	38	-1.0	-46.16	340.85	7.28	-38.88
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(OC)C1CCOC1	REAL300010855474	0	42	-1.0	-54.20	327.29	2.45	-51.75
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010855475	0	34	-1.0	-53.42	308.86	5.96	-47.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010855476	0	35	-1.0	-42.79	322.35	2.22	-40.57
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010855477	0	34	-1.0	-53.92	305.63	5.85	-48.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010855478	0	31	-1.0	-39.95	306.01	5.96	-33.99
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1	REAL300010855479	0	38	-1.0	-56.02	323.93	2.16	-53.86
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855480	0	56	-1.0	-43.99	450.22	9.75	-34.24
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1	REAL300010855481	0	46	-1.0	-48.35	379.24	7.08	-41.27
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855482	0	41	-1.0	-45.21	358.37	7.05	-38.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010855483	0	31	-1.0	-47.02	288.78	5.08	-41.94
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010855484	0	37	-1.0	-50.44	321.06	5.10	-45.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300010855485	0	45	-1.0	-52.27	369.59	7.54	-44.73
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010855486	0	45	-1.0	-50.81	379.40	7.93	-42.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC=C1Br	REAL300010855487	0	30	-1.0	-47.97	280.50	3.64	-44.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C	REAL300010855488	0	43	-1.0	-48.23	354.83	4.42	-43.81
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(OC)C1=CC=C(F)C=C1	REAL300010855489	0	41	-1.0	-53.50	343.50	5.70	-47.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010855490	0	43	-1.0	-47.52	352.08	6.17	-41.35
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)C=NN1C	REAL300010855491	0	37	-1.0	-50.50	301.41	3.40	-47.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1	REAL300010855492	0	39	-1.0	-49.43	343.82	3.47	-45.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12	REAL300010855493	0	43	-1.0	-47.69	356.37	7.52	-40.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1	REAL300010855494	0	42	-1.0	-54.00	347.03	3.67	-50.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F	REAL300010855495	0	37	-1.0	-45.77	330.95	5.50	-40.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2	REAL300010855496	0	42	-1.0	-54.93	356.92	6.26	-48.67
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855497	0	44	-1.0	-45.70	358.05	6.38	-39.32
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(OC)C1CCCC1	REAL300010855498	0	44	-1.0	-53.25	337.27	5.20	-48.05
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(OC)C1CCCCC1	REAL300010855499	0	47	-1.0	-53.80	353.36	5.60	-48.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010855500	0	34	-1.0	-43.81	309.78	4.35	-39.46
CCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)C	REAL300010855501	0	50	-1.0	-49.85	390.66	7.46	-42.39
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010855502	0	34	-1.0	-56.46	317.48	4.54	-51.92
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C=C1OC	REAL300010855503	0	35	-1.0	-44.24	299.62	4.70	-39.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300010855504	0	39	-1.0	-45.70	328.21	6.97	-38.73
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010855505	0	38	-1.0	-43.58	312.03	4.51	-39.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010855506	0	44	-1.0	-42.67	370.81	7.05	-35.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1	REAL300010855507	0	37	-1.0	-48.51	321.63	4.04	-44.47
CCC1=NC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CN1CC1CC1	REAL300010855508	0	44	-1.0	-57.02	357.94	6.47	-50.55
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC	REAL300010855509	0	37	-1.0	-45.22	331.51	6.59	-38.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1	REAL300010855510	0	42	-1.0	-59.15	345.15	4.88	-54.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010855511	0	34	-1.0	-44.59	300.00	2.95	-41.64
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010855512	0	42	-1.0	-47.57	368.61	8.93	-38.64
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Br)C=C1C	REAL300010855513	0	34	-1.0	-39.08	307.74	6.15	-32.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010855514	0	41	-1.0	-51.68	327.74	7.88	-43.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300010855515	0	51	-1.0	-51.16	414.71	9.31	-41.85
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(C)=CC=C1Br	REAL300010855516	0	37	-1.0	-54.34	323.89	6.56	-47.78
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Br)C=CC=C1OC	REAL300010855517	0	38	-1.0	-48.53	338.05	5.40	-43.13
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010855518	0	37	-1.0	-45.17	323.83	6.39	-38.78
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(F)=C1F	REAL300010855519	0	34	-1.0	-46.59	297.72	5.43	-41.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010855520	0	30	-1.0	-48.44	285.43	3.34	-45.10
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(OC(C)C)=C1	REAL300010855521	0	40	-1.0	-47.55	326.49	3.55	-44.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010855522	0	37	-1.0	-51.09	322.80	3.28	-47.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010855523	0	38	-1.0	-44.76	343.52	4.13	-40.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)C=CO1	REAL300010855524	0	34	-1.0	-48.49	301.35	4.19	-44.30
CCC1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C(C)C=C1OC	REAL300010855525	0	44	-1.0	-44.58	348.45	6.10	-38.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010855526	0	37	-1.0	-40.67	340.58	6.61	-34.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F	REAL300010855527	0	39	-1.0	-47.96	338.45	5.79	-42.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010855528	0	33	-1.0	-58.64	287.51	3.42	-55.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(Cl)C=C1C	REAL300010855529	0	34	-1.0	-39.58	316.28	6.50	-33.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300010855530	0	40	-1.0	-50.15	317.67	7.75	-42.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010855531	0	38	-1.0	-44.08	328.40	4.62	-39.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1	REAL300010855532	0	40	-1.0	-45.32	339.04	4.57	-40.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010855533	0	36	-1.0	-52.23	305.82	3.03	-49.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1	REAL300010855534	0	40	-1.0	-53.84	346.64	6.10	-47.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010855535	0	31	-1.0	-44.94	274.59	1.98	-42.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F	REAL300010855536	0	36	-1.0	-40.98	315.42	5.95	-35.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010855537	0	37	-1.0	-41.54	322.56	6.02	-35.52
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010855538	0	48	0.0	-62.45	369.73	4.06	-58.39
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCN1CCN(C)CC1	REAL300010855538	1	47	-1.0	-54.83	359.92	1.37	-53.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010855539	0	31	-1.0	-43.07	287.82	2.80	-40.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010855540	0	31	-1.0	-42.43	292.01	3.26	-39.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(F)C=C1C#N	REAL300010855541	0	35	-1.0	-40.89	301.47	5.85	-35.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300010855542	0	40	-1.0	-43.96	339.06	3.36	-40.60
CCCCN1C=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C(C)=N1	REAL300010855543	0	43	-1.0	-46.17	352.77	5.49	-40.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC	REAL300010855544	0	41	-1.0	-46.21	352.43	5.41	-40.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC	REAL300010855545	0	41	-1.0	-55.13	342.49	5.74	-49.39
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300010855546	0	35	-1.0	-46.46	297.76	5.00	-41.46
CCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)C	REAL300010855547	0	47	-1.0	-50.49	369.66	6.74	-43.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010855548	0	43	-1.0	-49.70	340.15	6.83	-42.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010855549	0	32	-1.0	-40.69	295.25	5.18	-35.51
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010855550	0	34	-1.0	-40.55	313.57	6.05	-34.50
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010855551	0	50	-1.0	-43.29	393.59	9.27	-34.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C	REAL300010855552	0	36	-1.0	-53.96	323.55	4.64	-49.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)NC=N1	REAL300010855553	0	28	-1.0	-49.12	268.43	2.78	-46.34
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010855554	0	39	-1.0	-46.40	338.03	5.59	-40.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010855555	0	30	-1.0	-42.58	281.43	3.45	-39.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010855556	0	30	-1.0	-48.44	280.85	3.27	-45.17
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CN=C1OC	REAL300010855557	0	34	-1.0	-42.78	311.98	2.70	-40.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010855558	0	36	-1.0	-52.45	317.20	5.26	-47.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010855559	0	33	-1.0	-47.21	301.18	4.36	-42.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010855560	0	41	-1.0	-48.39	350.57	6.50	-41.89
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010855561	0	34	-1.0	-41.50	311.65	5.66	-35.84
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Br)SC=N1	REAL300010855562	0	30	-1.0	-54.96	290.25	2.98	-51.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010855563	0	33	-1.0	-46.06	323.39	4.92	-41.14
CCC(C(=O)[O-])N(C)S(=O)(=O)N=S(=O)(CC)CC	REAL300010855564	0	37	-1.0	-68.04	310.85	2.34	-65.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1	REAL300010855565	0	33	-1.0	-46.43	302.63	5.82	-40.61
CCC(C(=O)[O-])N(C)S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010855566	0	39	-1.0	-49.14	320.48	4.08	-45.06
CCOC(=O)C1(S(=O)(=O)N(C)C(CC)C(=O)[O-])CCC1	REAL300010855567	0	40	-1.0	-51.49	311.22	5.22	-46.27
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010855568	0	42	-1.0	-46.34	355.02	1.35	-44.99
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010855569	0	32	-1.0	-48.46	307.29	3.68	-44.78
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C(=O)OC)C=C1	REAL300010855570	0	40	-1.0	-57.98	340.57	5.99	-51.99
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010855571	0	34	-1.0	-49.56	315.59	5.86	-43.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010855572	0	34	-1.0	-42.96	293.14	3.09	-39.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010855573	0	41	-1.0	-47.20	314.00	4.40	-42.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1Br	REAL300010855574	0	28	-1.0	-41.37	271.49	4.14	-37.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010855575	0	43	-1.0	-54.85	330.60	4.74	-50.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010855576	0	41	-1.0	-47.20	335.38	5.18	-42.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010855577	0	34	-1.0	-44.13	294.63	3.47	-40.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1Br	REAL300010855578	0	31	-1.0	-46.33	289.79	2.90	-43.43
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010855579	0	33	-1.0	-49.81	298.61	3.87	-45.94
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300010855580	0	38	-1.0	-57.16	320.34	4.76	-52.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010855581	0	45	-1.0	-52.21	367.64	5.68	-46.53
C=CCCC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1	REAL300010855582	0	41	-1.0	-44.15	347.09	7.60	-36.55
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010855583	0	34	-1.0	-54.09	300.25	2.39	-51.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1C	REAL300010855584	0	34	-1.0	-39.57	316.28	6.50	-33.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1	REAL300010855585	0	36	-1.0	-54.26	309.05	4.99	-49.27
CCC(C(=O)[O-])N(C)S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010855586	0	40	-1.0	-69.28	330.69	2.90	-66.38
CCCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)C	REAL300010855587	0	53	-1.0	-49.33	414.37	8.32	-41.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010855588	0	34	-1.0	-48.71	298.03	5.38	-43.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010855589	0	42	-1.0	-47.07	351.36	5.23	-41.84
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010855590	0	35	-1.0	-51.36	313.89	6.27	-45.09
CCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)(C)C	REAL300010855591	0	53	-1.0	-50.22	405.11	8.25	-41.97
CCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1CC	REAL300010855592	0	47	-1.0	-50.44	376.31	6.93	-43.51
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010855593	0	38	-1.0	-48.15	333.12	6.69	-41.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300010855594	0	37	-1.0	-48.43	299.98	6.40	-42.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC	REAL300010855595	0	45	-1.0	-58.50	364.45	4.54	-53.96
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010855596	0	34	-1.0	-54.37	317.34	6.23	-48.14
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010855597	0	34	-1.0	-54.98	308.17	5.93	-49.05
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010855598	0	41	-1.0	-47.42	350.09	6.66	-40.76
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300010855599	0	37	-1.0	-40.64	330.77	6.73	-33.91
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CN=C1Cl	REAL300010855600	0	33	-1.0	-48.17	289.63	3.76	-44.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CC(OC)=C1F	REAL300010855601	0	35	-1.0	-50.52	316.85	5.05	-45.47
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(C)C=C(C#N)C=C1C	REAL300010855602	0	41	-1.0	-55.35	336.62	6.81	-48.54
CCOC(=O)C1=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])N(C)N=C1	REAL300010855603	0	40	-1.0	-50.31	323.33	4.22	-46.09
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010855604	0	35	-1.0	-53.27	311.36	6.29	-46.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010855605	0	36	-1.0	-47.51	304.96	1.74	-45.77
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)OC(C(N)=O)=C1	REAL300010855606	0	35	-1.0	-41.13	296.89	0.00	-41.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1	REAL300010855607	0	43	-1.0	-53.39	367.43	6.07	-47.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC	REAL300010855608	0	44	-1.0	-45.81	365.20	5.31	-40.50
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010855609	0	40	-1.0	-56.72	324.16	5.24	-51.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)F	REAL300010855610	0	31	-1.0	-45.80	284.14	4.83	-40.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=N1	REAL300010855611	0	36	-1.0	-47.13	319.75	3.58	-43.55
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010855612	0	37	-1.0	-55.44	313.71	6.08	-49.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300010855613	0	47	-1.0	-48.91	383.51	7.52	-41.39
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010855614	0	36	-1.0	-49.38	301.45	5.12	-44.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O	REAL300010855615	0	51	-1.0	-57.89	386.76	6.96	-50.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CN1C	REAL300010855616	0	38	-1.0	-54.35	328.69	4.99	-49.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010855617	0	45	-1.0	-51.84	354.89	4.49	-47.35
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010855618	0	46	-1.0	-66.66	372.11	7.13	-59.53
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C21	REAL300010855619	0	45	-1.0	-66.66	362.24	6.42	-60.24
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010855620	0	38	-2.0	-99.45	305.79	4.56	-94.89
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300010855621	0	46	-1.0	-44.08	398.76	8.68	-35.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010855622	0	38	-1.0	-50.59	311.88	4.11	-46.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010855623	0	38	-1.0	-47.38	309.25	4.38	-43.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010855624	0	41	-1.0	-42.43	332.48	5.40	-37.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21	REAL300010855625	0	43	-1.0	-45.49	357.59	7.63	-37.86
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855626	0	44	-1.0	-51.26	369.72	6.23	-45.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC	REAL300010855627	0	41	-1.0	-47.77	340.19	5.68	-42.09
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010855628	0	42	-1.0	-46.99	343.06	2.73	-44.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010855629	0	37	-1.0	-49.57	327.43	5.43	-44.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010855630	0	37	-1.0	-51.50	312.14	1.73	-49.77
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=CO1	REAL300010855631	0	28	-1.0	-44.49	269.77	3.41	-41.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2CCCCN12	REAL300010855632	0	38	-1.0	-46.64	308.93	4.83	-41.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(OC)C(F)=C1	REAL300010855633	0	35	-1.0	-46.78	307.56	3.96	-42.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(OC)C=C1F	REAL300010855634	0	35	-1.0	-43.36	307.33	4.19	-39.17
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)C	REAL300010855635	0	56	-1.0	-50.05	434.16	9.10	-40.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300010855636	0	47	-1.0	-53.15	357.34	6.13	-47.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300010855637	0	41	-1.0	-55.13	334.67	6.08	-49.05
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(C)C	REAL300010855638	0	54	-1.0	-52.27	425.14	6.96	-45.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300010855639	0	39	-1.0	-48.83	322.74	5.52	-43.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010855640	0	39	-1.0	-48.63	329.79	4.27	-44.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010855641	0	39	-1.0	-56.76	329.93	6.62	-50.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC(F)=C1OC	REAL300010855642	0	35	-1.0	-47.12	308.24	5.41	-41.71
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC(C)=C1Br	REAL300010855643	0	34	-1.0	-50.10	300.04	5.70	-44.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=C(C)C=C1Br	REAL300010855644	0	34	-1.0	-51.63	304.80	6.51	-45.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NC(C(=O)OC)=C1	REAL300010855645	0	36	-1.0	-50.23	312.93	3.41	-46.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(=O)OC)=C1Br	REAL300010855646	0	37	-1.0	-47.70	329.55	5.81	-41.89
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C	REAL300010855647	0	48	-1.0	-62.22	370.92	6.56	-55.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010855648	0	37	-1.0	-48.32	321.65	5.45	-42.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C	REAL300010855649	0	45	-1.0	-65.64	361.38	6.17	-59.47
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=NN1C	REAL300010855650	0	31	-1.0	-45.13	280.36	2.38	-42.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010855651	0	33	-1.0	-45.95	296.10	3.69	-42.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300010855652	0	36	-1.0	-60.33	301.20	4.05	-56.28
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010855653	0	35	-1.0	-46.51	321.29	5.31	-41.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010855654	0	34	-1.0	-56.93	312.92	4.43	-52.50
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010855655	0	34	-1.0	-50.96	300.69	5.99	-44.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010855656	0	38	-1.0	-45.06	318.90	4.59	-40.47
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300010855657	0	40	-1.0	-45.75	314.83	6.74	-39.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300010855658	0	39	-1.0	-49.65	319.87	4.62	-45.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010855659	0	40	-1.0	-57.69	337.70	1.95	-55.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010855660	0	32	-1.0	-48.78	301.94	5.38	-43.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC(OC)=C1OC	REAL300010855661	0	39	-1.0	-51.53	327.44	5.04	-46.49
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1	REAL300010855662	0	34	-1.0	-44.04	326.60	4.21	-39.83
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)S1	REAL300010855663	0	28	-1.0	-41.53	290.16	5.04	-36.49
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010855664	0	44	-1.0	-51.11	343.58	5.17	-45.94
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010855665	0	35	-1.0	-49.38	318.87	6.66	-42.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010855666	0	38	-1.0	-52.08	312.32	4.19	-47.89
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010855667	0	33	-2.0	-102.41	299.87	5.35	-97.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010855668	0	35	-1.0	-45.39	308.63	4.31	-41.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010855669	0	35	-1.0	-48.06	321.17	5.30	-42.76
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010855670	0	34	-1.0	-56.08	286.03	3.62	-52.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010855671	0	36	-1.0	-55.41	310.42	3.35	-52.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010855672	0	31	-2.0	-100.89	304.69	4.61	-96.28
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300010855673	0	37	-1.0	-42.89	314.44	6.48	-36.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010855674	0	37	-1.0	-42.64	337.59	5.88	-36.76
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010855675	0	34	-1.0	-45.77	297.69	5.08	-40.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010855676	0	41	-1.0	-51.28	327.03	4.65	-46.63
CCC(C(=O)[O-])N(C)S(=O)(=O)NCCC1=CC=CC=C1	REAL300010855677	0	39	-1.0	-42.88	328.33	4.77	-38.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300010855678	0	49	-1.0	-53.83	366.52	8.02	-45.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010855679	0	37	-1.0	-41.57	339.23	6.60	-34.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010855680	0	41	-1.0	-45.89	341.96	5.48	-40.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010855681	0	35	-1.0	-45.05	303.60	5.90	-39.15
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010855682	0	42	-1.0	-46.17	363.67	7.70	-38.47
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010855683	0	44	-1.0	-52.41	359.68	3.22	-49.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300010855684	0	40	-1.0	-66.01	324.98	5.85	-60.16
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=NN1C	REAL300010855685	0	37	-1.0	-48.80	314.60	2.61	-46.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010855686	0	32	-1.0	-43.74	286.12	4.94	-38.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010855687	0	38	-1.0	-48.00	313.22	4.28	-43.72
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010855688	0	35	-1.0	-44.53	317.94	5.83	-38.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1	REAL300010855689	0	43	-1.0	-47.01	368.65	7.75	-39.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010855690	0	40	-1.0	-45.37	357.04	7.32	-38.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010855691	0	40	-1.0	-43.49	314.14	4.56	-38.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010855692	0	40	-1.0	-52.03	326.68	4.16	-47.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010855693	0	38	-1.0	-50.30	304.13	3.22	-47.08
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300010855694	0	36	-1.0	-45.94	312.96	4.38	-41.56
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010855695	0	34	-1.0	-47.05	306.83	5.47	-41.58
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010855696	0	31	-1.0	-40.53	289.63	5.05	-35.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010855697	0	31	-1.0	-47.70	293.78	4.59	-43.11
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(F)(F)CC1	REAL300010855698	0	36	-1.0	-40.39	297.76	4.13	-36.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CNC(C)=O)C=C1	REAL300010855699	0	41	-1.0	-47.82	351.58	3.75	-44.07
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)O1	REAL300010855700	0	28	-1.0	-47.15	266.62	3.19	-43.96
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010855701	0	34	-1.0	-46.72	313.82	5.98	-40.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010855702	0	34	-1.0	-51.50	282.33	5.55	-45.95
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855703	0	42	-1.0	-49.16	352.60	6.75	-42.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010855704	0	42	-1.0	-45.60	338.57	7.90	-37.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010855705	0	41	-1.0	-46.82	348.25	6.41	-40.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010855706	0	37	-1.0	-43.09	331.80	5.79	-37.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010855707	0	36	-1.0	-45.06	323.90	5.37	-39.69
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010855708	0	38	-1.0	-58.40	315.09	2.86	-55.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300010855709	0	41	-1.0	-42.61	366.08	5.59	-37.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010855710	0	31	-1.0	-41.06	297.57	5.81	-35.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010855711	0	31	-1.0	-41.40	291.12	4.95	-36.45
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010855712	0	34	-1.0	-40.82	292.04	5.98	-34.84
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(C)S1	REAL300010855713	0	37	-1.0	-49.48	328.30	4.92	-44.56
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010855714	0	38	-1.0	-45.67	320.85	6.92	-38.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010855715	0	33	-1.0	-47.63	316.53	4.69	-42.94
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010855716	0	41	-1.0	-45.35	331.13	5.24	-40.11
CCC(C)N1N=CC=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855717	0	40	-1.0	-55.95	326.43	4.46	-51.49
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300010855718	0	40	-1.0	-52.25	340.59	2.25	-50.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010855719	0	34	-1.0	-56.37	314.54	1.01	-55.36
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)NC)C=C1	REAL300010855720	0	40	-1.0	-52.25	340.59	2.25	-50.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010855721	0	34	-1.0	-44.60	285.59	5.95	-38.65
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC	REAL300010855722	0	43	-1.0	-54.71	357.92	8.65	-46.06
CCC(C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCCCCC1	REAL300010855723	0	45	-1.0	-43.74	339.07	5.71	-38.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010855724	0	31	-1.0	-40.47	293.23	3.95	-36.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(F)C=C1OC	REAL300010855725	0	35	-1.0	-42.69	306.66	4.92	-37.77
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010855726	0	45	-1.0	-46.04	359.90	3.64	-42.40
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010855727	0	37	-1.0	-44.56	321.19	6.36	-38.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010855728	0	35	-1.0	-45.76	307.27	4.30	-41.46
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010855729	0	46	-1.0	-51.66	355.30	7.44	-44.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300010855730	0	42	-1.0	-56.49	334.68	6.81	-49.68
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010855731	0	39	-1.0	-44.14	322.90	4.88	-39.26
CCOCC1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855732	0	41	-1.0	-45.00	344.89	5.52	-39.48
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F	REAL300010855733	0	40	-1.0	-44.53	340.39	6.58	-37.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010855734	0	34	-1.0	-46.01	327.25	6.83	-39.18
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010855735	0	41	-1.0	-48.02	338.02	5.52	-42.50
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010855736	0	44	-1.0	-47.31	354.40	5.67	-41.64
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010855737	0	34	-1.0	-46.46	321.82	6.94	-39.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010855738	0	42	-1.0	-44.20	358.07	7.58	-36.62
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855739	0	43	-1.0	-55.69	349.71	6.72	-48.97
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300010855740	0	37	-1.0	-42.93	325.71	6.47	-36.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010855741	0	36	-1.0	-50.18	318.61	5.86	-44.32
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010855742	0	30	-1.0	-55.51	286.04	2.77	-52.74
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010855743	0	32	-1.0	-46.83	291.14	5.14	-41.69
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010855744	0	35	-1.0	-54.82	300.63	4.07	-50.75
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010855745	0	37	-1.0	-50.21	339.95	5.80	-44.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010855746	0	30	-1.0	-44.84	279.41	3.11	-41.73
CCC(C(=O)[O-])N(C)S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010855747	0	43	-1.0	-44.89	353.50	2.48	-42.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N(CC)N=C1	REAL300010855748	0	34	-1.0	-43.63	306.97	3.63	-40.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010855749	0	35	-1.0	-53.14	315.38	6.37	-46.77
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1	REAL300010855750	0	37	-1.0	-43.49	353.06	6.05	-37.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010855751	0	31	-1.0	-50.19	289.72	5.26	-44.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010855752	0	33	-1.0	-48.98	304.52	3.84	-45.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010855753	0	36	-1.0	-58.73	317.83	5.72	-53.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010855754	0	36	-1.0	-49.60	314.89	5.42	-44.18
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010855755	0	33	-1.0	-48.98	304.52	3.84	-45.14
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010855756	0	34	-1.0	-46.01	327.25	6.83	-39.18
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300010855757	0	40	-1.0	-50.12	325.85	7.68	-42.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C=CC(Br)=C1F	REAL300010855758	0	35	-1.0	-50.07	321.12	5.85	-44.22
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010855759	0	38	-1.0	-46.45	327.81	5.19	-41.26
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010855760	0	45	-1.0	-45.22	372.60	6.24	-38.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010855761	0	31	-1.0	-42.07	293.15	5.28	-36.79
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1	REAL300010855762	0	37	-1.0	-57.99	327.81	0.96	-57.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010855763	0	41	-1.0	-44.91	346.26	5.92	-38.99
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010855764	0	37	-1.0	-53.86	335.23	2.23	-51.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010855765	0	35	-1.0	-50.76	302.71	5.96	-44.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010855766	0	35	-1.0	-51.29	318.46	6.36	-44.93
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010855767	0	35	-1.0	-50.18	317.59	6.51	-43.67
CCC(C(=O)[O-])N(C)S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010855768	0	36	-1.0	-63.13	305.23	-1.55	-64.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010855769	0	33	-1.0	-51.26	292.81	3.96	-47.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300010855770	0	40	-1.0	-53.25	345.42	3.70	-49.55
CCC(C(=O)[O-])N(C)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010855771	0	48	-1.0	-56.45	339.00	7.49	-48.96
CCC(C(=O)[O-])N(C)S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010855772	0	39	-1.0	-52.64	301.03	4.96	-47.68
CCC(C(=O)[O-])N(C)S(=O)(=O)CCCCS(C)(=O)=O	REAL300010855773	0	39	-1.0	-63.93	332.81	1.52	-62.41
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010855774	0	44	-1.0	-56.07	336.46	5.01	-51.06
CCOC(=O)C1=NC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C2C=CC=CN12	REAL300010855775	0	43	-1.0	-56.26	364.02	6.74	-49.52
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010855776	0	35	-1.0	-46.99	317.40	3.79	-43.20
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1	REAL300010855777	0	40	-1.0	-55.42	340.28	6.13	-49.29
CCC(C(=O)[O-])N(C)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010855778	0	41	-1.0	-57.83	345.34	7.40	-50.43
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010855779	0	40	-1.0	-44.34	320.14	2.38	-41.96
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855780	0	40	-1.0	-45.02	342.87	5.69	-39.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010855781	0	44	-1.0	-42.07	336.94	6.75	-35.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010855782	0	35	-1.0	-50.82	304.76	5.91	-44.91
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCCCC1C(=O)OC	REAL300010855783	0	42	-1.0	-57.96	323.05	5.28	-52.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010855784	0	53	-1.0	-51.15	389.19	8.65	-42.50
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010855785	0	34	-1.0	-49.75	306.86	5.29	-44.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300010855786	0	42	-1.0	-44.65	346.24	5.92	-38.73
CCC(C(=O)[O-])N(C)S(=O)(=O)NCC1=CC=CC(C)=C1	REAL300010855787	0	39	-1.0	-43.19	328.47	4.72	-38.47
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=NN1	REAL300010855788	0	37	-1.0	-50.42	322.40	2.18	-48.24
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855788	1	36	-2.0	-105.77	324.81	2.49	-103.28
CCOC(=O)C1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=N[N-]1	REAL300010855788	1	36	-2.0	-105.62	324.91	2.49	-103.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300010855789	0	36	-1.0	-60.11	316.87	2.69	-57.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1	REAL300010855790	0	34	-1.0	-43.98	322.54	4.11	-39.87
CCC(C(=O)[O-])N(C)S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010855791	0	43	-1.0	-51.43	316.61	5.12	-46.31
CCC(C(=O)[O-])N(C)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010855792	0	42	-1.0	-43.04	345.61	6.52	-36.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC(Br)=C1OC	REAL300010855793	0	35	-1.0	-46.42	320.86	6.04	-40.38
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010855794	0	35	-1.0	-52.41	308.39	5.58	-46.83
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300010855795	0	35	-1.0	-53.52	297.80	4.05	-49.47
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010855796	0	35	-1.0	-52.14	302.88	4.08	-48.06
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010855797	0	37	-1.0	-48.27	302.67	4.24	-44.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010855798	0	34	-1.0	-39.24	296.74	6.11	-33.13
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010855799	0	40	-1.0	-49.65	340.52	4.99	-44.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010855800	0	28	-1.0	-45.31	287.18	4.68	-40.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300010855801	0	44	-1.0	-47.53	360.28	7.15	-40.38
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010855802	0	48	-1.0	-45.25	388.30	6.73	-38.52
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010855803	0	34	-1.0	-47.53	325.63	6.16	-41.37
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010855804	0	36	-1.0	-44.67	322.05	5.41	-39.26
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC[C@H]1C(=O)OC	REAL300010855805	0	39	-1.0	-60.64	320.07	4.45	-56.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(I)C=CS1	REAL300010855806	0	28	-1.0	-43.82	277.39	5.58	-38.24
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010855807	0	42	-1.0	-48.86	358.40	7.74	-41.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010855808	0	37	-1.0	-46.99	297.60	6.36	-40.63
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NNC=C1C(=O)OC	REAL300010855809	0	34	-1.0	-54.09	300.25	2.39	-51.70
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010855810	0	36	-1.0	-47.24	322.85	3.42	-43.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010855811	0	32	-1.0	-52.05	301.31	3.39	-48.66
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Cl)C=C1C	REAL300010855812	0	33	-1.0	-37.58	281.87	3.58	-34.00
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=C1	REAL300010855813	0	42	-1.0	-45.75	351.35	6.33	-39.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300010855814	0	41	-1.0	-51.83	333.89	4.95	-46.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300010855815	0	35	-1.0	-57.94	295.95	3.70	-54.24
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010855816	0	37	-1.0	-44.63	330.65	7.51	-37.12
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(OC(C)=O)C1	REAL300010855817	0	39	-1.0	-52.74	316.39	3.93	-48.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010855818	0	41	-1.0	-49.79	352.59	8.44	-41.35
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1	REAL300010855819	0	34	-1.0	-43.84	320.89	5.44	-38.40
CCC1=CC(S(=O)(=O)N(C)C(CC)C(=O)[O-])=CC=C1Br	REAL300010855820	0	37	-1.0	-48.36	320.78	6.36	-42.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300010855821	0	44	-1.0	-45.01	354.92	5.98	-39.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300010855822	0	45	-1.0	-47.61	370.29	5.20	-42.41
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010855823	0	37	-1.0	-48.52	316.51	7.24	-41.28
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010855824	0	39	-1.0	-48.08	319.44	2.64	-45.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010855825	0	37	-1.0	-50.57	326.52	4.23	-46.34
CCC(C(=O)[O-])N(C)S(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC	REAL300010855826	0	45	-1.0	-64.78	375.95	5.51	-59.27
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010855827	0	46	-1.0	-44.45	371.76	5.20	-39.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300010855828	0	34	-1.0	-42.90	307.42	2.59	-40.31
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300010855829	0	37	-1.0	-47.70	308.84	1.89	-45.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300010855830	0	40	-1.0	-51.10	325.21	4.50	-46.60
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300010855831	0	40	-1.0	-47.13	327.65	4.28	-42.85
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010855832	0	30	-1.0	-52.42	291.15	2.70	-49.72
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010855833	0	41	-1.0	-44.97	331.81	2.69	-42.28
CCC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC(COC)=C1	REAL300010855834	0	37	-1.0	-47.53	323.77	2.63	-44.90
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010855835	0	34	-1.0	-56.46	317.48	4.54	-51.92
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010855836	0	29	-1.0	-45.73	281.02	2.54	-43.19
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NC(C)=O)S1	REAL300010855837	0	35	-1.0	-54.81	317.50	2.77	-52.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC(C)=C1C	REAL300010855838	0	37	-1.0	-42.98	305.30	5.98	-37.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(I)S1	REAL300010855839	0	28	-1.0	-41.53	290.16	5.04	-36.49
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300010855840	0	35	-1.0	-45.27	315.01	5.32	-39.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010855841	0	33	-1.0	-44.81	303.91	3.80	-41.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NC(OC)=C1Cl	REAL300010855842	0	34	-1.0	-47.46	297.94	1.71	-45.75
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])S1	REAL300010855843	0	40	-1.0	-64.26	349.68	3.52	-60.74
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])S1	REAL300010855843	1	39	-2.0	-102.10	346.38	2.41	-99.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1NC(C)=O	REAL300010855844	0	38	-1.0	-54.37	326.03	2.75	-51.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010855845	0	35	-1.0	-51.22	328.09	6.80	-44.42
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010855846	0	36	-1.0	-40.17	313.86	6.58	-33.59
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010855847	0	30	-1.0	-60.87	287.64	3.43	-57.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010855848	0	42	-1.0	-51.17	333.78	4.83	-46.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300010855849	0	39	-1.0	-48.00	318.03	5.79	-42.21
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1	REAL300010855850	0	39	-1.0	-47.37	328.79	3.93	-43.44
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010855851	0	34	-1.0	-49.82	307.15	6.84	-42.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010855852	0	38	-1.0	-46.70	308.67	4.68	-42.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010855853	0	38	-1.0	-46.83	325.44	5.83	-41.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010855854	0	33	-1.0	-52.57	291.55	3.65	-48.92
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300010855855	0	40	-1.0	-46.69	327.84	4.44	-42.25
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010855856	0	38	-1.0	-51.88	321.84	6.76	-45.12
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010855857	0	33	-1.0	-48.63	289.29	3.52	-45.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C2=C1CCCN2	REAL300010855858	0	43	-1.0	-45.13	336.30	5.63	-39.50
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300010855859	0	45	-1.0	-45.21	376.78	8.35	-36.86
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010855860	0	38	-1.0	-45.42	329.51	6.96	-38.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1Br	REAL300010855861	0	28	-1.0	-41.37	271.49	4.14	-37.23
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010855862	0	35	-1.0	-46.48	316.72	5.20	-41.28
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(Br)C=C1C	REAL300010855863	0	33	-1.0	-37.67	286.46	3.66	-34.01
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010855864	0	36	-1.0	-50.61	303.12	5.18	-45.43
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(I)=CC=C1C	REAL300010855865	0	34	-1.0	-42.19	304.62	6.43	-35.76
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CC(=O)OC	REAL300010855866	0	40	-1.0	-55.63	330.94	5.85	-49.78
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010855867	0	42	-1.0	-51.95	345.86	8.63	-43.32
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010855868	0	34	-1.0	-46.48	303.64	5.66	-40.82
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010855869	0	30	-1.0	-45.91	277.77	3.22	-42.69
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010855870	0	33	-1.0	-49.28	293.28	4.07	-45.21
CCC(C(=O)[O-])N(C)S(=O)(=O)N1CC=C(Br)CC1	REAL300010855871	0	34	-1.0	-41.73	300.15	4.41	-37.32
CCC(C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010855872	0	39	-1.0	-58.19	315.27	0.51	-57.68
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C(C)=N1	REAL300010855873	0	33	-1.0	-43.00	304.97	3.96	-39.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010855874	0	30	-1.0	-48.46	291.21	4.13	-44.33
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010855875	0	35	-1.0	-51.53	315.90	3.99	-47.54
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010855876	0	35	-1.0	-50.76	302.71	5.96	-44.80
CCC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010855877	0	35	-1.0	-50.36	313.03	6.41	-43.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010855878	0	40	-1.0	-51.63	348.10	4.29	-47.34
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010855879	0	38	-1.0	-49.06	322.99	7.11	-41.95
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl	REAL300010855880	0	34	-1.0	-43.73	310.25	6.20	-37.53
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010855881	0	35	-1.0	-41.13	317.08	4.51	-36.62
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300010855882	0	38	-1.0	-45.64	310.26	5.14	-40.50
CCOC1=CC=C(S(=O)(=O)N(C)C(CC)C(=O)[O-])C=C1C(=O)OC	REAL300010855883	0	44	-1.0	-52.81	365.69	6.03	-46.78
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1	REAL300010855884	0	44	-1.0	-54.83	361.03	7.04	-47.79
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300010855885	0	37	-1.0	-40.95	328.46	2.95	-38.00
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC	REAL300010855886	0	37	-1.0	-46.07	333.99	7.03	-39.04
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=CC=C1C(=O)OC	REAL300010855887	0	36	-1.0	-51.64	306.63	4.53	-47.11
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC	REAL300010855888	0	37	-1.0	-55.83	316.78	6.02	-49.81
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010855889	0	36	-1.0	-46.93	301.70	5.05	-41.88
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1I	REAL300010855890	0	31	-1.0	-41.99	284.81	5.74	-36.25
CCOC1=CC=CN=C1S(=O)(=O)N(C)C(CC)C(=O)[O-]	REAL300010855891	0	37	-1.0	-54.89	313.87	3.84	-51.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(C(=O)OC)N=C2C=C1	REAL300010855892	0	42	-1.0	-44.88	364.59	5.83	-39.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300010855893	0	39	-1.0	-54.27	322.90	6.29	-47.98
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Br)C=NS1	REAL300010855894	0	27	-1.0	-45.56	261.17	2.83	-42.73
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010855895	0	33	-1.0	-44.63	304.34	3.33	-41.30
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=C(Cl)C=C1C	REAL300010855896	0	33	-1.0	-47.02	292.64	4.03	-42.99
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010855897	0	33	-1.0	-45.60	292.69	3.99	-41.61
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C)SC(Cl)=C1	REAL300010855898	0	31	-1.0	-40.98	287.64	4.95	-36.03
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010855899	0	33	-1.0	-51.11	298.98	3.72	-47.39
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010855900	0	38	-1.0	-46.21	339.00	5.70	-40.51
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300010855901	0	44	-1.0	-48.32	353.82	6.86	-41.46
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010855902	0	35	-2.0	-111.78	316.43	4.76	-107.02
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010855902	1	36	-1.0	-43.18	319.14	3.82	-39.36
O=C([O-])CC1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)CCC1	REAL300010855903	0	38	-1.0	-56.77	328.75	7.02	-49.75
O=C([O-])CC1(NS(=O)(=O)C2=CC=CN=C2Cl)CCC1	REAL300010855904	0	31	-1.0	-41.10	270.68	2.60	-38.50
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCC1	REAL300010855905	0	32	-1.0	-41.42	289.05	4.64	-36.78
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2Br)CCC1	REAL300010855906	0	32	-1.0	-56.69	285.94	4.83	-51.86
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1C	REAL300010855907	0	44	-1.0	-53.97	330.96	6.66	-47.31
COC(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010855908	0	38	-1.0	-64.59	312.76	5.57	-59.02
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855909	0	41	-1.0	-46.22	344.39	5.61	-40.61
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)CCC1	REAL300010855910	0	32	-1.0	-39.11	290.82	4.95	-34.16
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010855911	0	38	-1.0	-59.83	323.78	4.87	-54.96
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855912	0	44	-1.0	-45.67	344.01	6.34	-39.33
CC(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855913	0	41	-1.0	-45.45	328.04	5.95	-39.50
CCC(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855914	0	44	-1.0	-44.93	346.40	6.60	-38.33
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855915	0	43	-1.0	-51.03	363.38	2.02	-49.01
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CCC1	REAL300010855916	0	36	-1.0	-46.77	303.47	0.84	-45.93
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855917	0	42	-1.0	-49.09	349.71	3.04	-46.05
O=C([O-])CC1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CCC1	REAL300010855918	0	34	-1.0	-40.34	306.87	5.09	-35.25
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C=CC=C2Cl)CCC1	REAL300010855919	0	32	-1.0	-43.35	290.49	5.28	-38.07
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)S2)CCC1	REAL300010855920	0	29	-1.0	-39.79	276.30	3.55	-36.24
CCCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010855921	0	41	-1.0	-44.57	332.12	6.24	-38.33
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)C=C2Cl)CCC1	REAL300010855922	0	32	-1.0	-39.81	299.94	5.04	-34.77
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1Br	REAL300010855923	0	36	-1.0	-46.72	317.66	3.99	-42.73
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010855924	0	43	-1.0	-53.47	348.03	3.15	-50.32
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300010855925	0	32	-1.0	-42.13	275.46	3.86	-38.27
O=C([O-])CC1([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)CCC1	REAL300010855925	1	31	-2.0	-121.55	289.24	4.31	-117.24
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CCC1	REAL300010855926	0	32	-1.0	-51.28	301.69	5.14	-46.14
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2Cl)CCC1	REAL300010855927	0	32	-1.0	-40.97	275.63	4.49	-36.48
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010855928	0	44	-1.0	-58.69	377.79	5.41	-53.28
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010855929	0	44	-1.0	-67.42	368.26	6.26	-61.16
O=C([O-])CC1([N-]S(=O)(=O)C2=C(F)C=CC=C2F)CCC1	REAL300010855930	0	31	-2.0	-134.39	279.96	4.41	-129.98
O=C([O-])CC1(NS(=O)(=O)C2=C(F)C=CC=C2F)CCC1	REAL300010855930	1	32	-1.0	-46.99	276.63	4.30	-42.69
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)N=C2)CCC1	REAL300010855931	0	31	-1.0	-41.15	279.63	2.55	-38.60
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C=C2F)CCC1	REAL300010855932	0	32	-1.0	-54.80	279.86	4.24	-50.56
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)CCC1	REAL300010855933	0	35	-1.0	-53.02	309.79	6.09	-46.93
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1Br	REAL300010855934	0	35	-1.0	-53.08	307.71	5.30	-47.78
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1NC(C)=O	REAL300010855935	0	43	-1.0	-66.09	352.88	2.43	-63.66
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCC1	REAL300010855936	0	36	-1.0	-42.81	313.71	3.82	-38.99
CC1=C(C)C(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C(C)=C1C	REAL300010855937	0	47	-1.0	-45.86	339.35	7.06	-38.80
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCC1	REAL300010855938	0	41	-1.0	-46.13	330.58	3.97	-42.16
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010855939	0	37	-1.0	-50.42	311.86	5.23	-45.19
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Br)S2)CCC1	REAL300010855940	0	29	-1.0	-39.87	280.94	3.66	-36.21
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1Cl	REAL300010855941	0	38	-1.0	-42.02	327.07	6.51	-35.51
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010855942	0	36	-1.0	-47.76	304.97	4.72	-43.04
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300010855943	0	50	-1.0	-44.58	368.35	7.88	-36.70
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCC1	REAL300010855944	0	48	-1.0	-45.09	369.60	7.83	-37.26
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300010855945	0	35	-1.0	-41.19	305.94	5.09	-36.10
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CCC1	REAL300010855946	0	42	-1.0	-46.19	330.48	6.52	-39.67
COC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010855947	0	40	-1.0	-51.34	313.11	3.37	-47.97
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1OC	REAL300010855948	0	40	-1.0	-48.95	326.44	3.23	-45.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)CCC1	REAL300010855949	0	42	-1.0	-47.33	364.99	3.61	-43.72
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCCC3=C2)CCC1	REAL300010855950	0	39	-1.0	-46.36	313.31	5.93	-40.43
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)S1	REAL300010855951	0	39	-1.0	-46.40	341.89	2.12	-44.28
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCC1	REAL300010855952	0	40	-1.0	-56.24	323.70	6.49	-49.75
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2F)CCC1	REAL300010855953	0	32	-1.0	-44.27	268.70	3.86	-40.41
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COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=C2C=C1	REAL300010856978	0	44	-1.0	-46.71	368.39	6.93	-39.78
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CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CN=C1C(F)(F)F	REAL300010856982	0	37	-1.0	-45.58	318.76	3.88	-41.70
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CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010856989	0	43	-1.0	-46.43	352.34	6.06	-40.37
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CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3(CC(=O)[O-])CCC3)=CC=C21	REAL300010856991	0	42	-1.0	-55.54	347.99	5.71	-49.83
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O=C([O-])CC1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCC1	REAL300010856994	0	39	-1.0	-46.42	318.37	2.49	-43.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300010856995	0	42	-1.0	-44.19	364.01	4.79	-39.40
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COC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=CS1	REAL300010856998	0	33	-1.0	-41.99	288.70	2.38	-39.61
O=C([O-])CC1(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)CCC1	REAL300010856999	0	35	-1.0	-55.46	299.49	5.63	-49.83
COC(=O)C1=C(C)SC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300010857000	0	38	-1.0	-54.20	334.48	4.56	-49.64
CC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010858911	0	35	-1.0	-44.41	302.67	3.23	-41.18
CC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010858912	0	35	-1.0	-46.44	320.30	3.64	-42.80
CC[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010858913	0	43	-1.0	-44.68	348.38	4.35	-40.33
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010858914	0	36	-1.0	-42.07	322.43	5.09	-36.98
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010858915	0	35	-1.0	-47.73	310.41	1.92	-45.81
CC[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010858916	0	36	-1.0	-42.98	312.73	5.08	-37.90
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010858917	0	33	-1.0	-41.29	294.29	3.38	-37.91
CC[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010858918	0	28	-1.0	-40.77	284.09	4.17	-36.60
CC[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010858919	0	25	-1.0	-42.54	258.42	1.79	-40.75
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010858919	1	24	-2.0	-124.49	251.21	2.14	-122.35
CC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010858920	0	32	-1.0	-43.78	307.11	2.99	-40.79
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CN1C	REAL300010858921	0	38	-1.0	-49.68	337.07	4.07	-45.61
CC[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010858922	0	41	-1.0	-49.03	363.14	4.07	-44.96
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])C=C12	REAL300010858923	0	35	-1.0	-45.80	317.19	0.81	-44.99
CC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010858924	0	40	-1.0	-45.72	340.15	4.56	-41.16
CC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010858925	0	35	-1.0	-43.99	304.50	4.63	-39.36
CC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010858926	0	32	-1.0	-42.78	311.51	4.54	-38.24
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010858927	0	30	-1.0	-40.31	295.25	3.47	-36.84
CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010858928	0	38	-1.0	-44.66	334.81	-0.46	-45.12
CC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010858929	0	31	-1.0	-41.97	297.17	1.03	-40.94
CC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010858930	0	37	-1.0	-44.45	332.22	4.03	-40.42
CC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010858931	0	43	-1.0	-45.20	367.79	3.48	-41.72
CC[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010858932	0	46	0.0	-66.41	372.64	4.27	-62.14
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010858933	0	31	-1.0	-39.94	290.27	4.55	-35.39
CC[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010858934	0	32	-1.0	-53.97	295.08	3.12	-50.85
CC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010858935	0	34	-1.0	-42.25	333.46	4.48	-37.77
CC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=CC(F)=C1Br)C(=O)[O-]	REAL300010858935	1	33	-2.0	-123.82	323.72	4.82	-119.00
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858936	0	28	-1.0	-48.32	302.42	4.58	-43.74
CC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858936	1	27	-2.0	-119.66	298.00	4.98	-114.68
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010858937	0	28	-1.0	-43.46	270.54	3.34	-40.12
CC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010858938	0	36	-1.0	-51.09	309.49	3.60	-47.49
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1C	REAL300010858939	0	55	-1.0	-45.24	439.79	7.50	-37.74
CC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010858940	0	37	-1.0	-47.08	313.83	4.45	-42.63
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010858941	0	42	-1.0	-41.97	357.63	4.32	-37.65
CC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010858942	0	29	-1.0	-54.45	286.46	3.91	-50.54
CC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010858943	0	31	-1.0	-47.29	299.91	2.15	-45.14
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010858944	0	43	-1.0	-49.03	351.25	3.86	-45.17
CC[C@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010858945	0	34	-1.0	-42.57	321.24	5.92	-36.65
CC[C@H]([N-]S(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010858946	0	30	-2.0	-116.00	321.65	3.11	-112.89
CC[C@H](NS(=O)(=O)C1=C(Br)C=C(C(=O)OC)S1)C(=O)[O-]	REAL300010858946	1	31	-1.0	-37.76	317.60	3.33	-34.43
CC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010858947	0	36	-1.0	-45.46	323.50	1.29	-44.17
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858949	0	31	-1.0	-38.45	309.91	4.58	-33.87
CC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858950	0	34	-1.0	-40.27	317.52	3.86	-36.41
CC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858951	0	38	-1.0	-43.53	344.77	2.39	-41.14
CC[C@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858952	0	39	-1.0	-46.57	355.28	4.90	-41.67
CC[C@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010858953	0	38	-1.0	-43.95	329.63	3.83	-40.12
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010858954	0	46	-1.0	-42.23	377.18	5.69	-36.54
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010858955	0	43	-1.0	-40.91	360.92	4.34	-36.57
CC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010858956	0	39	-1.0	-45.09	336.02	4.37	-40.72
CC[C@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010858957	0	36	-1.0	-51.24	299.17	4.72	-46.52
CC[C@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010858958	0	36	-1.0	-41.64	317.96	2.83	-38.81
CC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010858959	0	31	-1.0	-42.10	286.53	3.71	-38.39
CC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010858960	0	31	-1.0	-40.94	296.82	4.34	-36.60
CC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010858961	0	35	-1.0	-45.02	328.32	2.66	-42.36
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010858962	0	39	-1.0	-51.75	331.44	3.44	-48.31
CC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010858963	0	40	-1.0	-47.71	339.73	3.35	-44.36
CC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010858964	0	34	-1.0	-41.36	334.53	1.16	-40.20
CC[C@H](NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010858965	0	28	-1.0	-47.66	301.09	4.53	-43.13
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010858965	1	27	-2.0	-120.52	294.54	5.01	-115.51
CC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010858966	0	36	-1.0	-46.93	325.39	4.38	-42.55
CC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010858967	0	38	-1.0	-43.53	344.77	2.39	-41.14
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010858968	0	38	-1.0	-44.82	322.72	3.52	-41.30
CC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010858969	0	34	-1.0	-47.24	311.24	4.30	-42.94
CC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010858970	0	39	-1.0	-43.20	318.77	3.99	-39.21
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010858971	0	42	-1.0	-45.04	372.45	4.30	-40.74
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010858972	0	42	-1.0	-41.06	350.36	6.53	-34.53
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010858973	0	36	-1.0	-42.99	322.41	5.09	-37.90
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010858974	0	28	-1.0	-39.17	283.99	3.80	-35.37
CC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010858974	1	27	-2.0	-125.11	290.36	4.49	-120.62
CC[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010858975	0	40	0.0	-59.20	332.41	4.94	-54.26
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=CC=C2O1	REAL300010858976	0	43	-1.0	-44.06	377.75	5.71	-38.35
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H](CC)C(=O)[O-])=C1	REAL300010858977	0	40	-1.0	-45.30	344.65	5.48	-39.82
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010858978	0	28	-1.0	-47.37	287.91	4.07	-43.30
CC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010858978	1	27	-2.0	-121.91	283.93	4.45	-117.46
CC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010858979	0	36	-1.0	-51.20	308.99	6.02	-45.18
CC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010858980	0	34	-1.0	-43.11	317.32	4.86	-38.25
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010858981	0	38	-1.0	-37.98	336.21	5.87	-32.11
CC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010858982	0	31	-1.0	-38.65	295.22	4.41	-34.24
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010858983	0	36	-1.0	-42.66	312.98	5.10	-37.56
CC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010858984	0	28	-1.0	-43.56	287.87	4.26	-39.30
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010858985	0	38	-1.0	-37.98	336.21	5.87	-32.11
CC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010858986	0	28	-1.0	-39.38	290.16	4.10	-35.28
CC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010858987	0	39	-1.0	-47.52	352.86	2.89	-44.63
CC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010858988	0	27	-2.0	-128.98	269.83	3.74	-125.24
CC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010858989	0	38	-1.0	-47.41	318.72	4.87	-42.54
CC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010858990	0	34	-1.0	-46.19	315.60	3.74	-42.45
CC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010858991	0	32	-1.0	-40.42	283.14	3.68	-36.74
CC[C@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010858992	0	29	-1.0	-42.41	281.54	1.81	-40.60
CC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010858993	0	41	-1.0	-43.54	343.71	6.34	-37.20
CC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010858994	0	39	-1.0	-43.77	333.42	3.72	-40.05
CC[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010858995	0	45	-1.0	-54.30	351.66	9.58	-44.72
CC[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010858996	0	42	-1.0	-45.48	345.25	5.10	-40.38
CC[C@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010858997	0	33	-1.0	-43.51	304.07	1.91	-41.60
CC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010858998	0	29	-1.0	-38.65	296.80	3.96	-34.69
CC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858999	0	30	-1.0	-50.36	306.98	4.55	-45.81
CC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010858999	1	29	-2.0	-110.16	307.51	4.37	-105.79
CC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010859000	0	35	-1.0	-42.40	313.71	3.60	-38.80
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300010860089	0	39	-1.0	-51.26	328.50	4.30	-46.96
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010860090	0	39	-1.0	-53.43	342.36	4.51	-48.92
COC(=O)C1CCCCC1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860091	0	44	-1.0	-52.31	350.34	5.66	-46.65
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860092	0	47	-1.0	-50.23	368.77	4.97	-45.26
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860093	0	40	-1.0	-51.89	351.39	6.23	-45.66
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860094	0	39	-1.0	-55.08	334.34	2.86	-52.22
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860095	0	40	-1.0	-50.85	338.58	6.10	-44.75
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300010860096	0	37	-1.0	-50.81	336.03	4.55	-46.26
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010860097	0	32	-1.0	-47.31	305.79	5.07	-42.24
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010860098	0	34	-1.0	-60.34	296.66	5.55	-54.79
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860099	0	29	-1.0	-47.89	284.07	2.80	-45.09
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860099	1	28	-2.0	-99.90	277.30	2.52	-97.38
N#CC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010860100	0	42	-1.0	-55.57	333.02	4.92	-50.65
CC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010860101	0	44	-1.0	-50.33	327.93	5.52	-44.81
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010860102	0	34	-1.0	-53.45	306.66	4.70	-48.75
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860103	0	36	-1.0	-48.76	329.23	3.94	-44.82
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010860104	0	42	-1.0	-55.62	362.25	5.07	-50.55
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010860105	0	45	-1.0	-59.83	389.69	5.11	-54.72
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C12	REAL300010860106	0	39	-1.0	-53.64	339.48	1.73	-51.91
CCC1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860107	0	34	-1.0	-49.17	309.09	2.64	-46.53
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010860108	0	44	-1.0	-53.14	362.24	5.46	-47.68
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010860109	0	32	-1.0	-50.43	290.70	4.66	-45.77
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010860109	1	31	-2.0	-113.04	287.38	4.68	-108.36
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(Cl)=N1	REAL300010860110	0	34	-1.0	-51.83	308.97	3.42	-48.41
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860111	0	37	-1.0	-51.79	327.49	4.30	-47.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010860112	0	39	-1.0	-53.03	344.30	5.24	-47.79
CSC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010860113	0	36	-1.0	-51.03	333.37	5.48	-45.55
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860114	0	34	-1.0	-49.99	316.93	4.38	-45.61
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860115	0	42	-1.0	-60.17	361.38	0.57	-59.60
COC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010860116	0	35	-1.0	-49.58	319.34	2.00	-47.58
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860117	0	37	-1.0	-54.12	320.90	4.50	-49.62
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860118	0	41	-1.0	-53.08	354.06	4.97	-48.11
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010860119	0	47	-1.0	-51.43	391.94	4.45	-46.98
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010860120	0	31	-1.0	-49.47	299.73	3.78	-45.69
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860121	0	50	0.0	-81.62	391.15	5.07	-76.55
CCC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860122	0	41	-1.0	-51.41	345.07	6.18	-45.23
CC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860123	0	38	-1.0	-52.41	327.96	5.38	-47.03
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860124	0	35	-1.0	-47.05	315.34	5.58	-41.47
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300010860125	0	36	-1.0	-59.55	317.75	4.14	-55.41
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010860126	0	32	-1.0	-49.23	305.26	4.79	-44.44
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860127	0	40	-1.0	-55.40	330.33	4.56	-50.84
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1C	REAL300010860128	0	59	-1.0	-51.74	462.09	8.44	-43.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010860129	0	41	-1.0	-49.89	340.25	5.48	-44.41
CC1=CC=CC(F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860130	0	35	-1.0	-53.04	293.34	4.89	-48.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860131	0	46	-1.0	-53.65	401.30	5.16	-48.49
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860132	0	33	-1.0	-50.51	312.45	4.98	-45.53
CC1=NC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CS1	REAL300010860133	0	34	-1.0	-53.47	308.15	2.36	-51.11
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010860134	0	35	-1.0	-53.49	323.04	3.09	-50.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010860135	0	38	-1.0	-49.36	345.54	6.90	-42.46
COC(=O)CCCCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860136	0	43	-1.0	-56.48	361.91	4.87	-51.61
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CN=C21	REAL300010860137	0	37	-1.0	-52.21	322.88	3.15	-49.06
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860138	0	40	-1.0	-52.85	345.18	2.18	-50.67
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010860140	0	35	-1.0	-47.24	333.91	5.53	-41.71
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860141	0	43	-1.0	-52.27	327.73	1.98	-50.29
COC1=C(F)C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860142	0	38	-1.0	-50.61	341.96	4.86	-45.75
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860143	0	42	-1.0	-50.09	367.92	3.26	-46.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010860144	0	43	-1.0	-61.99	377.09	5.83	-56.16
COC1=CC=C(CCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860145	0	42	-1.0	-53.02	352.87	4.82	-48.20
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010860146	0	35	-1.0	-55.76	316.88	2.92	-52.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010860147	0	43	-1.0	-53.60	359.29	5.36	-48.24
CC1=CC=NC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010860148	0	40	-1.0	-55.88	337.02	5.25	-50.63
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010860149	0	35	-1.0	-52.48	312.61	4.96	-47.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010860150	0	35	-1.0	-49.52	322.67	5.16	-44.36
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860151	0	35	-1.0	-47.98	321.15	5.30	-42.68
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860152	0	36	-1.0	-53.37	313.28	5.12	-48.25
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860153	0	43	-1.0	-59.51	359.88	3.98	-55.53
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010860154	0	44	-1.0	-56.58	369.72	4.04	-52.54
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010860155	0	40	-1.0	-51.34	348.04	5.29	-46.05
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860156	0	42	-1.0	-50.09	367.92	3.26	-46.83
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860157	0	40	-1.0	-49.81	329.53	4.41	-45.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010860158	0	35	-1.0	-52.70	323.83	5.24	-47.46
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300010860159	0	42	-1.0	-52.35	361.43	4.56	-47.79
COC(=O)C1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=CS1	REAL300010860160	0	38	-1.0	-50.37	337.47	4.85	-45.52
COC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010860161	0	36	-1.0	-49.47	313.91	3.39	-46.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860162	0	43	-1.0	-53.15	369.43	4.15	-49.00
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860163	0	46	-1.0	-54.41	396.48	5.31	-49.10
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860164	0	41	-1.0	-49.21	332.92	6.12	-43.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010860165	0	46	-1.0	-49.77	394.17	7.41	-42.36
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860166	0	40	-1.0	-52.51	351.37	6.23	-46.28
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860167	0	44	0.0	-78.84	356.56	5.92	-72.92
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860168	0	40	-1.0	-49.87	329.10	4.36	-45.51
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010860169	0	47	-1.0	-51.88	401.88	6.68	-45.20
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CS2)C1	REAL300010860170	0	35	-1.0	-50.26	313.46	4.61	-45.65
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860171	0	44	-1.0	-50.91	371.43	6.43	-44.48
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010860172	0	32	-1.0	-49.59	314.76	5.19	-44.40
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010860172	1	31	-2.0	-99.19	307.68	5.01	-94.18
CC1=C(Cl)SC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860173	0	32	-1.0	-46.65	307.75	4.28	-42.37
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010860174	0	38	-1.0	-51.06	325.42	4.58	-46.48
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860175	0	36	-1.0	-51.66	313.44	3.46	-48.20
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010860176	0	40	-1.0	-54.16	336.15	7.33	-46.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010860177	0	38	-1.0	-50.07	339.01	5.75	-44.32
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010860178	0	42	-1.0	-46.71	367.77	7.14	-39.57
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860179	0	35	-1.0	-46.05	321.03	5.63	-40.42
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010860180	0	37	-1.0	-51.59	319.43	4.36	-47.23
CC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860181	0	38	-1.0	-52.54	328.56	5.43	-47.11
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860182	0	40	-1.0	-50.20	337.92	6.14	-44.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010860183	0	32	-1.0	-50.08	309.87	5.19	-44.89
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010860184	0	42	-1.0	-46.71	367.77	7.14	-39.57
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010860185	0	31	-1.0	-47.86	296.23	2.70	-45.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010860186	0	32	-1.0	-47.23	314.30	5.08	-42.15
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010860187	0	43	-1.0	-52.66	374.71	3.84	-48.82
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010860188	0	31	-2.0	-106.17	292.47	4.30	-101.87
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860189	0	42	-1.0	-52.99	336.56	5.59	-47.40
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860190	0	35	-1.0	-49.35	305.73	0.71	-48.64
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1C#N	REAL300010860191	0	36	-1.0	-49.97	318.17	4.90	-45.07
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860192	0	38	-1.0	-54.00	337.48	4.70	-49.30
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860193	0	36	-1.0	-50.69	323.45	4.41	-46.28
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010860194	0	33	-1.0	-49.87	306.67	2.81	-47.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010860195	0	45	-1.0	-51.79	366.46	7.24	-44.55
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=NO1	REAL300010860196	0	43	-1.0	-55.25	359.97	4.74	-50.51
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010860197	0	49	-1.0	-47.23	374.29	10.35	-36.88
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010860198	0	46	-1.0	-50.14	373.55	6.27	-43.87
COC1=CC=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860199	0	39	-1.0	-49.64	324.32	4.15	-45.49
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860200	0	37	-1.0	-51.71	328.44	2.87	-48.84
N#CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010860201	0	33	-1.0	-49.04	318.67	4.90	-44.14
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010860202	0	34	-1.0	-47.54	332.07	5.71	-41.83
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010860202	1	33	-2.0	-95.93	326.29	5.50	-90.43
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010860203	0	39	-1.0	-48.31	339.52	4.81	-43.50
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860204	0	38	-1.0	-47.74	354.41	4.70	-43.04
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860205	0	39	-1.0	-51.11	327.25	3.84	-47.27
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010860206	0	40	-1.0	-50.58	351.14	3.85	-46.73
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010860207	0	36	-1.0	-51.67	323.63	3.66	-48.01
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010860208	0	35	-1.0	-47.89	322.51	5.07	-42.82
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860209	0	43	-1.0	-54.59	369.50	1.10	-53.49
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C2S1	REAL300010860210	0	44	-1.0	-51.15	392.76	7.06	-44.09
N#CCC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860211	0	36	-1.0	-55.03	320.68	5.19	-49.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010860212	0	38	-1.0	-55.47	332.88	3.25	-52.22
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860213	0	37	-1.0	-58.73	335.27	-0.38	-59.11
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860214	0	38	-1.0	-52.52	338.70	4.82	-47.70
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860215	0	40	-1.0	-54.36	355.22	5.93	-48.43
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010860216	0	36	-1.0	-49.92	325.04	4.11	-45.81
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)OCO2	REAL300010860217	0	38	-1.0	-49.12	319.81	3.62	-45.50
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860218	0	38	-1.0	-54.28	326.87	5.40	-48.88
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010860219	0	32	-1.0	-48.34	308.39	5.19	-43.15
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860220	0	38	-1.0	-47.09	311.59	5.69	-41.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010860221	0	32	-1.0	-47.52	312.30	5.33	-42.19
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)OCC(=O)N2	REAL300010860222	0	42	-1.0	-53.13	358.32	1.09	-52.04
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010860223	0	33	-2.0	-98.36	322.40	5.12	-93.24
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010860223	1	34	-1.0	-47.42	329.03	5.30	-42.12
N#CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860224	0	30	-1.0	-48.67	291.00	3.60	-45.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010860225	0	34	-1.0	-48.40	323.43	5.15	-43.25
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010860225	1	33	-2.0	-94.70	318.64	4.99	-89.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010860226	0	32	-1.0	-45.55	304.61	5.25	-40.30
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010860226	1	31	-2.0	-101.11	301.36	5.27	-95.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010860227	0	33	-1.0	-56.25	304.05	2.37	-53.88
COC1=CN=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860228	0	35	-1.0	-50.25	303.06	1.49	-48.76
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010860229	0	32	-1.0	-51.53	304.66	4.67	-46.86
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010860230	0	42	-1.0	-52.43	360.24	4.72	-47.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010860231	0	32	-1.0	-47.58	312.31	5.32	-42.26
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010860232	0	35	-1.0	-51.34	318.45	5.25	-46.09
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860233	0	35	-1.0	-58.09	324.02	1.55	-56.54
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860233	1	34	-2.0	-93.54	320.72	0.42	-93.12
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010860234	0	35	-1.0	-51.32	323.01	5.36	-45.96
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860235	0	36	-1.0	-53.16	329.67	1.32	-51.84
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860236	0	41	-1.0	-57.15	345.23	6.50	-50.65
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860237	0	40	-1.0	-54.39	338.49	2.39	-52.00
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860238	0	36	-1.0	-53.02	334.24	1.43	-51.59
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860239	0	39	-1.0	-50.19	329.78	4.25	-45.94
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2O1	REAL300010860240	0	43	-1.0	-53.54	356.29	5.31	-48.23
N#CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010860241	0	36	-1.0	-49.98	334.87	5.20	-44.78
COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860242	0	41	-1.0	-52.00	344.71	2.56	-49.44
CC1=CC=C(CCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860243	0	41	-1.0	-51.64	344.77	6.18	-45.46
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860244	0	39	-1.0	-53.05	348.13	4.58	-48.47
N#CC1CN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300010860245	0	36	-1.0	-50.93	307.78	1.22	-49.71
CCN(CC(C)C#N)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860246	0	40	-1.0	-51.49	327.73	4.06	-47.43
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300010860247	0	35	-1.0	-52.29	305.71	2.70	-49.59
N#CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860248	0	33	-1.0	-55.37	316.32	4.81	-50.56
N#CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860249	0	33	-1.0	-52.09	317.94	4.92	-47.17
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860250	0	38	-1.0	-47.19	332.78	5.96	-41.23
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010860251	0	38	-1.0	-54.17	340.49	5.63	-48.54
COCCOCCOCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860252	0	46	-1.0	-54.82	386.59	1.34	-53.48
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860253	0	42	-1.0	-58.56	368.09	1.35	-57.21
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010860254	0	31	-2.0	-107.60	296.65	4.68	-102.92
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010860254	1	32	-1.0	-51.73	297.01	4.77	-46.96
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2CC1	REAL300010860255	0	49	-1.0	-56.37	389.96	5.91	-50.46
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010860256	0	41	-1.0	-51.09	363.11	5.46	-45.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010860257	0	42	-1.0	-50.58	370.24	5.87	-44.71
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860258	0	41	-1.0	-49.93	356.06	6.89	-43.04
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860259	0	41	-1.0	-49.04	352.42	6.58	-42.46
CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300010860260	0	39	-1.0	-55.19	315.77	2.75	-52.44
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860261	0	42	-1.0	-57.24	358.66	3.02	-54.22
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010860262	0	32	-1.0	-48.86	301.35	4.65	-44.21
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010860262	1	31	-2.0	-106.17	294.73	4.46	-101.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010860263	0	45	-1.0	-54.09	378.89	5.58	-48.51
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010860264	0	41	-1.0	-49.78	371.89	6.07	-43.71
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010860264	1	40	-2.0	-103.62	366.03	5.91	-97.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010860265	0	34	-1.0	-49.03	322.22	5.73	-43.30
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010860265	1	33	-2.0	-101.98	321.86	5.68	-96.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010860266	0	41	-1.0	-63.52	339.41	1.19	-62.33
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860267	0	39	-2.0	-104.37	339.76	5.33	-99.04
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010860268	0	43	-1.0	-54.43	371.88	4.03	-50.40
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010860269	0	44	-1.0	-50.27	377.44	6.25	-44.02
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860270	0	46	-1.0	-56.24	389.96	2.23	-54.01
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860271	0	43	-1.0	-52.06	362.43	3.57	-48.49
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860272	0	45	-1.0	-54.74	383.29	5.50	-49.24
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300010860273	0	44	-1.0	-49.94	370.87	6.12	-43.82
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300010860274	0	35	-1.0	-50.24	315.96	5.42	-44.82
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860275	0	44	-1.0	-53.74	377.25	6.38	-47.36
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860276	0	38	-1.0	-51.68	351.74	6.74	-44.94
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860276	1	37	-2.0	-109.94	349.79	6.50	-103.44
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010860277	0	35	-1.0	-50.18	319.68	6.09	-44.09
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860278	0	48	-1.0	-50.25	378.38	5.34	-44.91
CC1=C(CCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)SC=N1	REAL300010860279	0	37	-1.0	-51.89	327.20	3.26	-48.63
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010860280	0	38	-1.0	-52.38	340.09	6.03	-46.35
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860281	0	41	-1.0	-51.73	361.25	5.70	-46.03
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010860282	0	42	-1.0	-51.37	352.69	7.45	-43.92
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860283	0	46	-1.0	-53.77	397.16	1.76	-52.01
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010860284	0	35	-1.0	-51.14	318.40	5.23	-45.91
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010860285	0	44	-1.0	-54.35	381.24	5.25	-49.10
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010860286	0	38	-1.0	-58.04	348.71	1.94	-56.10
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010860287	0	36	-1.0	-51.72	324.36	4.86	-46.86
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010860288	0	35	-1.0	-49.82	310.20	4.84	-44.98
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860289	0	34	-1.0	-48.52	306.13	3.58	-44.94
CC1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010860290	0	35	-1.0	-52.84	320.31	3.51	-49.33
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010860290	1	34	-2.0	-115.76	313.71	3.26	-112.50
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010860291	0	33	-1.0	-49.97	301.94	2.88	-47.09
COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860292	0	40	-1.0	-50.20	326.75	3.90	-46.30
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860293	0	45	-1.0	-55.95	372.37	4.88	-51.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010860294	0	35	-2.0	-97.16	324.55	3.62	-93.54
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010860294	1	36	-1.0	-49.15	327.42	2.77	-46.38
CCOC(=O)CC1(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860295	0	41	-1.0	-53.90	343.01	5.30	-48.60
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010860296	0	33	-1.0	-49.59	323.22	4.99	-44.60
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010860296	1	32	-2.0	-99.92	317.37	4.84	-95.08
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860297	0	43	-1.0	-54.14	377.09	3.40	-50.74
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010860298	0	47	-1.0	-50.00	391.10	6.84	-43.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860299	0	44	-1.0	-56.48	381.86	3.23	-53.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C1	REAL300010860300	0	37	-1.0	-54.06	324.59	1.21	-52.85
COC(=O)C1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	REAL300010860301	0	44	-1.0	-55.48	351.17	5.09	-50.39
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C1	REAL300010860302	0	31	-1.0	-47.57	309.79	3.21	-44.36
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860303	0	39	-1.0	-49.62	349.98	4.23	-45.39
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010860304	0	38	-1.0	-48.34	332.64	5.53	-42.81
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300010860305	0	43	-1.0	-49.43	383.58	7.38	-42.05
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860306	0	41	-1.0	-53.90	355.39	5.47	-48.43
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300010860307	0	34	-1.0	-54.36	310.38	3.49	-50.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC23CCC(CC2)C3)C1	REAL300010860308	0	42	-1.0	-49.70	326.64	5.39	-44.31
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300010860309	0	38	-1.0	-50.37	339.44	5.96	-44.41
COC(=O)C1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	REAL300010860310	0	41	-1.0	-57.45	340.52	4.40	-53.05
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300010860311	0	32	-1.0	-47.01	311.37	4.26	-42.75
N#CC1=CC(F)=CC=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860312	0	36	-1.0	-54.57	326.45	4.99	-49.58
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860313	0	45	-1.0	-53.55	388.28	4.40	-49.15
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860314	0	48	-1.0	-53.29	410.14	5.32	-47.97
COC(=O)C1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010860315	0	47	-1.0	-53.82	364.46	5.52	-48.30
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN=C1C	REAL300010860316	0	40	-1.0	-49.51	344.51	3.36	-46.15
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010860317	0	36	-1.0	-51.82	329.77	3.97	-47.85
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860318	0	41	-1.0	-50.41	371.80	6.12	-44.29
N#CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860319	0	33	-1.0	-49.80	304.87	4.44	-45.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2CCOCC2)C1	REAL300010860320	0	42	-1.0	-52.17	335.28	3.31	-48.86
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010860321	0	48	-1.0	-58.88	411.20	5.89	-52.99
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860322	0	35	-1.0	-48.36	309.42	4.69	-43.67
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010860323	0	34	-1.0	-50.62	327.09	3.82	-46.80
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010860324	0	45	-1.0	-49.07	335.25	5.99	-43.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010860325	0	41	-1.0	-52.57	343.25	5.62	-46.95
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010860326	0	33	-1.0	-50.97	304.76	3.45	-47.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010860327	0	38	-1.0	-52.96	334.36	5.61	-47.35
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010860328	0	35	-1.0	-56.10	318.82	3.00	-53.10
CN1C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010860328	1	34	-2.0	-108.46	310.01	2.73	-105.73
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010860329	0	34	-1.0	-49.30	319.89	6.10	-43.20
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010860329	1	33	-2.0	-101.33	313.11	6.01	-95.32
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010860330	0	41	-1.0	-50.00	355.75	5.32	-44.68
CC1=CC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010860331	0	40	-1.0	-52.26	354.63	5.39	-46.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010860332	0	41	-1.0	-49.82	331.26	5.14	-44.68
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010860333	0	42	-1.0	-52.07	357.39	4.79	-47.28
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300010860334	0	59	-1.0	-47.48	442.96	10.26	-37.22
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010860335	0	37	-1.0	-52.69	333.65	5.13	-47.56
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860336	0	44	-1.0	-54.08	378.86	6.33	-47.75
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860337	0	37	-1.0	-55.71	319.02	3.76	-51.95
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860338	0	39	-1.0	-48.98	346.66	4.33	-44.65
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300010860339	0	39	-1.0	-48.51	327.22	6.07	-42.44
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300010860340	0	44	-1.0	-51.16	363.34	5.76	-45.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010860341	0	40	-1.0	-49.69	338.55	5.00	-44.69
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010860342	0	35	-1.0	-49.20	315.53	4.52	-44.68
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010860342	1	34	-2.0	-103.29	308.19	4.35	-98.94
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010860343	0	35	-1.0	-49.25	326.25	5.84	-43.41
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010860343	1	34	-2.0	-108.97	326.56	5.80	-103.17
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010860344	0	35	-1.0	-52.57	328.25	5.34	-47.23
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860345	0	41	-1.0	-61.21	362.41	2.25	-58.96
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300010860346	0	35	-1.0	-54.62	307.25	4.37	-50.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2CCCCC2)C1	REAL300010860347	0	44	-1.0	-49.66	343.97	5.70	-43.96
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010860348	0	41	-1.0	-50.47	345.63	6.95	-43.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010860349	0	29	-1.0	-49.76	283.79	3.67	-46.09
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010860349	1	28	-2.0	-104.30	279.99	3.36	-100.94
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860350	0	41	-1.0	-48.73	362.56	6.04	-42.69
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010860351	0	47	-1.0	-59.01	399.77	4.57	-54.44
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860352	0	45	-1.0	-54.14	373.99	4.32	-49.82
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010860353	0	35	-1.0	-53.04	320.65	5.21	-47.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010860354	0	38	-1.0	-52.45	328.92	6.41	-46.04
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(CC)=C1	REAL300010860355	0	50	-1.0	-47.24	377.23	8.68	-38.56
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300010860356	0	37	-1.0	-51.04	314.01	3.85	-47.19
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010860357	0	39	-1.0	-53.18	334.41	3.78	-49.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010860358	0	34	-1.0	-49.43	326.33	3.93	-45.50
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010860359	0	40	-1.0	-51.46	352.08	3.75	-47.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010860360	0	40	-1.0	-51.82	349.42	2.56	-49.26
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860361	0	37	-1.0	-55.32	332.42	-1.03	-56.35
CC(C)(CCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300010860362	0	43	-1.0	-58.90	351.35	1.13	-57.77
COC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010860363	0	36	-1.0	-49.00	323.71	3.87	-45.13
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C1	REAL300010860364	0	35	-1.0	-51.27	316.36	1.64	-49.63
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860365	0	45	-1.0	-53.25	375.79	5.20	-48.05
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300010860366	0	37	-1.0	-54.09	315.63	3.88	-50.21
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010860367	0	41	-1.0	-48.94	350.18	7.06	-41.88
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010860368	0	36	-1.0	-49.24	323.75	4.16	-45.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010860369	0	36	-1.0	-49.13	334.07	4.61	-44.52
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860370	0	41	-1.0	-53.56	360.57	5.49	-48.07
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860371	0	45	-1.0	-52.54	367.27	5.43	-47.11
COC(CC(C)C)CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860372	0	44	-1.0	-49.87	349.73	3.76	-46.11
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860373	0	36	-1.0	-51.08	313.12	3.95	-47.13
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010860374	0	35	-1.0	-50.03	336.62	5.80	-44.23
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCC2CCOC2)C1	REAL300010860375	0	42	-1.0	-52.62	338.04	3.22	-49.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010860376	0	35	-1.0	-51.02	335.39	5.80	-45.22
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010860377	0	35	-1.0	-50.49	317.77	3.11	-47.38
CCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860378	0	40	-1.0	-50.67	340.62	5.86	-44.81
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860379	0	48	-1.0	-50.58	383.56	6.17	-44.41
N#CCC1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860380	0	39	-1.0	-56.98	344.43	5.91	-51.07
COC1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010860381	0	35	-1.0	-48.57	321.74	1.27	-47.30
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860382	0	41	-1.0	-52.07	360.56	5.75	-46.32
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860383	0	41	-1.0	-49.69	371.92	5.68	-44.01
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010860384	0	35	-1.0	-51.09	318.91	5.26	-45.83
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010860385	0	35	-1.0	-48.28	313.66	5.11	-43.17
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010860386	0	38	-1.0	-58.08	326.29	5.00	-53.08
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300010860387	0	41	-1.0	-50.56	364.28	5.50	-45.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860388	0	38	-1.0	-54.68	354.47	5.25	-49.43
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860388	1	37	-2.0	-108.34	347.64	5.07	-103.27
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860389	0	41	-1.0	-52.64	359.83	5.41	-47.23
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860390	0	39	-1.0	-50.24	329.51	4.23	-46.01
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860391	0	38	-1.0	-50.97	335.65	5.84	-45.13
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCC2CCOCC2)C1	REAL300010860392	0	45	-1.0	-52.11	356.78	4.07	-48.04
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010860393	0	47	-1.0	-54.16	392.86	1.82	-52.34
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010860394	0	40	-1.0	-51.88	331.33	5.26	-46.62
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010860395	0	39	-1.0	-56.98	343.32	1.87	-55.11
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010860396	0	32	-1.0	-47.61	300.77	4.58	-43.03
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)SC(Br)=C1	REAL300010860397	0	32	-1.0	-46.91	304.11	4.35	-42.56
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010860398	0	41	-1.0	-52.92	340.79	4.42	-48.50
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860399	0	42	-1.0	-54.96	355.26	2.96	-52.00
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010860400	0	38	-1.0	-52.36	329.77	5.59	-46.77
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010860401	0	38	-1.0	-51.54	328.80	5.56	-45.98
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010860402	0	38	-1.0	-50.62	335.91	5.90	-44.72
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860403	0	36	-1.0	-48.20	334.64	4.51	-43.69
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300010860404	0	47	-1.0	-57.90	382.83	2.99	-54.91
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)S2)C1	REAL300010860405	0	43	-1.0	-52.82	368.64	4.50	-48.32
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010860406	0	39	-1.0	-50.39	353.00	6.36	-44.03
COC1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860407	0	41	-1.0	-50.34	327.07	2.11	-48.23
COC(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOC1	REAL300010860408	0	43	-1.0	-51.96	344.61	1.49	-50.47
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010860409	0	35	-1.0	-51.29	325.07	5.35	-45.94
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010860410	0	35	-1.0	-51.69	321.82	5.25	-46.44
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010860411	0	32	-1.0	-47.02	316.24	5.14	-41.88
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860412	0	39	-1.0	-55.84	334.35	1.47	-54.37
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860413	0	57	-1.0	-49.62	458.50	8.94	-40.68
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860414	0	47	-1.0	-52.14	387.88	6.31	-45.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010860415	0	32	-1.0	-47.50	305.18	4.68	-42.82
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860416	0	38	-1.0	-54.00	337.48	4.70	-49.30
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010860417	0	46	-1.0	-50.91	386.59	7.09	-43.82
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010860418	0	46	-1.0	-51.24	395.64	7.37	-43.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010860419	0	31	-1.0	-51.21	290.86	2.98	-48.23
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010860419	1	30	-2.0	-113.39	282.62	2.79	-110.60
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2)=N1	REAL300010860420	0	44	-1.0	-51.80	372.25	4.07	-47.73
COC(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010860421	0	42	-1.0	-51.98	359.77	5.14	-46.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300010860422	0	44	-1.0	-53.62	362.39	5.41	-48.21
COC(=O)C1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010860423	0	38	-1.0	-49.80	323.36	3.05	-46.75
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010860424	0	40	-1.0	-50.71	360.07	2.90	-47.81
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010860425	0	44	-1.0	-51.14	370.25	6.93	-44.21
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860426	0	43	-1.0	-54.17	362.92	3.10	-51.07
CCOC(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	REAL300010860427	0	42	-1.0	-51.43	343.66	4.35	-47.08
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860428	0	38	-1.0	-54.77	344.15	4.81	-49.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860428	1	37	-2.0	-107.74	337.32	4.63	-103.11
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300010860429	0	43	-1.0	-59.14	372.33	5.80	-53.34
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860430	0	45	-1.0	-50.08	368.46	5.69	-44.39
COC(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300010860431	0	45	-1.0	-50.49	351.59	4.37	-46.12
COC(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300010860432	0	48	-1.0	-50.09	372.35	4.83	-45.26
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010860433	0	35	-1.0	-48.67	318.73	3.58	-45.09
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010860434	0	51	-1.0	-49.84	409.67	7.06	-42.78
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010860435	0	35	-1.0	-56.72	328.71	3.88	-52.84
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860436	0	36	-1.0	-49.88	313.11	3.96	-45.92
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010860437	0	40	-1.0	-52.60	343.59	6.40	-46.20
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860438	0	39	-1.0	-48.44	322.47	3.82	-44.62
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010860439	0	45	-1.0	-50.48	376.66	6.08	-44.40
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010860440	0	38	-1.0	-49.75	337.03	3.46	-46.29
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010860440	1	37	-2.0	-104.78	328.76	3.26	-101.52
CCC1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300010860441	0	45	-1.0	-53.76	378.39	6.02	-47.74
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010860442	0	43	-1.0	-56.74	362.21	4.54	-52.20
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860443	0	35	-1.0	-48.48	321.37	2.66	-45.82
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010860444	0	43	-1.0	-50.35	379.01	8.13	-42.22
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860445	0	35	-1.0	-46.07	321.03	5.62	-40.45
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010860446	0	42	-1.0	-52.66	345.21	7.48	-45.18
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860447	0	38	-1.0	-52.45	339.97	5.96	-46.49
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860448	0	39	-1.0	-52.45	346.70	4.67	-47.78
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010860449	0	38	-1.0	-52.94	333.99	5.57	-47.37
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1F	REAL300010860450	0	35	-1.0	-53.10	311.72	4.84	-48.26
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010860451	0	31	-1.0	-51.55	301.11	2.75	-48.80
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010860451	1	30	-2.0	-101.79	293.96	2.55	-99.24
CC(C)OC1=CN=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860452	0	41	-1.0	-49.10	342.78	3.06	-46.04
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010860453	0	38	-1.0	-56.90	339.96	2.49	-54.41
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)C1	REAL300010860454	0	39	-1.0	-50.39	353.96	3.33	-47.06
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)OC=C1	REAL300010860455	0	34	-2.0	-116.32	303.45	3.29	-113.03
COC(=O)C1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)OC=C1	REAL300010860455	1	35	-1.0	-55.53	310.63	3.42	-52.11
CCC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300010860456	0	45	-1.0	-48.71	366.01	5.63	-43.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010860457	0	38	-1.0	-47.72	349.22	5.84	-41.88
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860458	0	40	-1.0	-52.40	346.76	5.07	-47.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300010860459	0	33	-2.0	-117.65	298.99	2.82	-114.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300010860459	1	34	-1.0	-55.46	303.58	2.90	-52.56
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860460	0	35	-1.0	-45.92	330.16	6.03	-39.89
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010860461	0	41	-1.0	-50.72	328.88	7.10	-43.62
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010860462	0	39	-1.0	-49.48	350.46	3.97	-45.51
N#CCC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860463	0	36	-1.0	-53.47	311.90	5.40	-48.07
CC1=CC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C2NC1=O	REAL300010860464	0	41	-1.0	-53.39	349.44	3.76	-49.63
CN1N=NC2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860465	0	37	-1.0	-52.75	321.95	2.46	-50.29
CC1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010860466	0	41	-1.0	-51.27	359.75	5.40	-45.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010860467	0	32	-1.0	-53.80	296.47	1.66	-52.14
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010860467	1	31	-2.0	-102.51	287.54	1.41	-101.10
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010860468	0	37	-1.0	-49.68	329.13	5.31	-44.37
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010860469	0	38	-1.0	-50.12	336.06	5.27	-44.85
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010860470	0	44	0.0	-77.42	345.77	4.87	-72.55
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860471	0	49	0.0	-76.29	379.91	3.23	-73.06
CN1CCN(CCCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860471	1	48	-1.0	-50.89	376.70	0.80	-50.09
CN1N=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Br	REAL300010860472	0	32	-1.0	-48.62	302.75	2.21	-46.41
CN1N=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1I	REAL300010860473	0	32	-1.0	-47.97	308.26	2.65	-45.32
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860474	0	36	-1.0	-53.87	311.17	5.11	-48.76
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860475	0	41	-1.0	-49.28	347.71	2.57	-46.71
CCCCN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300010860476	0	44	-1.0	-51.96	369.47	4.76	-47.20
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(OC)C=C1F	REAL300010860477	0	42	-1.0	-52.50	364.73	4.53	-47.97
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860478	0	42	-1.0	-54.37	352.41	4.88	-49.49
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860479	0	36	-1.0	-51.12	313.64	4.10	-47.02
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010860480	0	48	-1.0	-50.20	388.14	6.26	-43.94
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860481	0	44	-1.0	-50.23	356.42	6.27	-43.96
N#CC1=CC(F)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860482	0	33	-1.0	-49.55	305.67	4.49	-45.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010860483	0	35	-1.0	-50.34	321.71	5.25	-45.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010860484	0	51	-1.0	-50.84	403.58	8.54	-42.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300010860485	0	36	-1.0	-53.75	313.38	4.04	-49.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010860486	0	29	-1.0	-52.00	278.94	2.07	-49.93
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010860486	1	28	-2.0	-112.47	270.68	1.88	-110.59
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010860487	0	40	-1.0	-55.36	346.58	4.87	-50.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010860488	0	31	-1.0	-47.68	303.57	3.21	-44.47
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010860488	1	30	-2.0	-98.57	297.04	3.08	-95.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010860489	0	31	-1.0	-51.67	296.51	2.66	-49.01
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010860489	1	30	-2.0	-101.55	289.37	2.48	-99.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010860490	0	31	-1.0	-52.22	286.06	2.17	-50.05
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010860490	1	30	-2.0	-100.77	278.91	1.99	-98.78
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860491	0	35	-1.0	-48.87	325.78	1.88	-46.99
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010860492	0	37	-1.0	-51.48	333.83	4.88	-46.60
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010860493	0	34	-1.0	-49.74	318.16	3.90	-45.84
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010860494	0	42	-1.0	-52.67	371.14	4.87	-47.80
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N=S2(=O)CCCC2)C1	REAL300010860495	0	36	-1.0	-63.20	308.46	1.39	-61.81
CC1(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1(Cl)Cl	REAL300010860496	0	35	-1.0	-51.41	316.11	4.72	-46.69
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010860497	0	31	-1.0	-52.82	306.35	2.38	-50.44
CCS(=O)(CC)=NS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860498	0	38	-1.0	-62.87	324.01	1.66	-61.21
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010860499	0	34	-1.0	-56.33	313.25	5.35	-50.98
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010860500	0	40	-1.0	-55.13	331.13	3.37	-51.76
CCN1CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1=O	REAL300010860501	0	39	-1.0	-54.56	320.34	2.51	-52.05
CCOC(=O)C1(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCC1	REAL300010860502	0	41	-1.0	-48.97	330.07	4.74	-44.23
CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300010860503	0	43	-1.0	-58.97	363.69	0.64	-58.33
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010860504	0	33	-1.0	-49.64	323.88	3.16	-46.48
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860505	0	41	-1.0	-54.34	356.99	5.41	-48.93
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010860506	0	34	-2.0	-109.08	320.67	4.95	-104.13
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010860506	1	35	-1.0	-49.53	330.04	5.04	-44.49
CN1N=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010860507	0	35	-1.0	-49.99	312.96	2.78	-47.21
CN1N=CC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010860507	1	34	-2.0	-104.29	304.55	2.51	-101.78
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860508	0	42	-1.0	-49.13	335.72	4.04	-45.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010860509	0	29	-1.0	-49.47	288.05	3.69	-45.78
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010860510	0	44	-1.0	-50.47	350.99	4.33	-46.14
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010860511	0	42	-1.0	-51.71	346.84	4.34	-47.37
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860512	0	35	-1.0	-48.62	310.75	2.85	-45.77
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(Br)=N1	REAL300010860513	0	32	-1.0	-52.94	304.38	2.26	-50.68
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010860514	0	34	-1.0	-50.48	313.00	3.12	-47.36
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860515	0	39	-1.0	-53.48	336.43	4.17	-49.31
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010860516	0	46	-1.0	-53.84	384.10	5.21	-48.63
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010860517	0	32	-2.0	-95.05	291.75	2.67	-92.38
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010860517	1	33	-1.0	-49.16	294.37	1.80	-47.36
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860518	0	42	-1.0	-48.53	355.22	6.75	-41.78
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860519	0	35	-1.0	-59.23	309.25	1.70	-57.53
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860519	1	34	-2.0	-122.00	302.35	1.49	-120.51
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860520	0	35	-1.0	-45.88	330.16	6.03	-39.85
CCC1=NN(C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860521	0	38	-1.0	-51.71	325.54	3.08	-48.63
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860522	0	37	-1.0	-57.59	323.95	4.51	-53.08
CC(C)(C)S(C)(=O)=NS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860523	0	41	-1.0	-61.61	343.16	2.10	-59.51
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010860524	0	54	-1.0	-49.74	431.14	7.84	-41.90
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C#N)=C1	REAL300010860525	0	36	-1.0	-57.30	318.75	5.03	-52.27
CC1=CC=CC(C#N)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860526	0	36	-1.0	-52.37	309.12	5.16	-47.21
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010860527	0	35	-1.0	-51.21	317.39	4.97	-46.24
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)C1	REAL300010860528	0	43	-1.0	-52.66	367.85	4.77	-47.89
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010860529	0	36	-1.0	-50.50	327.98	5.75	-44.75
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010860530	0	54	-1.0	-49.07	422.23	7.73	-41.34
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1CC	REAL300010860531	0	48	-1.0	-49.35	392.75	6.53	-42.82
N#CCCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860532	0	39	-1.0	-54.00	341.76	5.92	-48.08
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860533	0	38	-1.0	-46.95	321.92	6.12	-40.83
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860534	0	46	-1.0	-53.76	378.63	3.79	-49.97
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010860535	0	35	-1.0	-51.80	333.24	5.68	-46.12
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010860536	0	35	-1.0	-52.56	324.12	5.27	-47.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010860537	0	42	-1.0	-56.11	360.54	5.94	-50.17
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860538	0	38	-1.0	-51.13	338.92	5.93	-45.20
CC1=CN=C(Cl)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860539	0	34	-1.0	-51.13	308.82	3.43	-47.70
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860540	0	36	-1.0	-51.84	325.67	4.21	-47.63
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860540	1	35	-2.0	-111.91	323.25	4.07	-107.84
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860541	0	42	-1.0	-52.52	352.69	6.32	-46.20
CC(C)(CCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1	REAL300010860542	0	44	-1.0	-50.67	342.38	5.46	-45.21
CCOC(=O)C1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010860543	0	41	-1.0	-49.53	345.08	3.98	-45.55
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010860544	0	36	-1.0	-50.54	325.36	5.68	-44.86
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300010860545	0	41	-1.0	-52.76	344.86	6.30	-46.46
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010860546	0	37	-1.0	-52.27	309.30	1.08	-51.19
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010860547	0	36	-1.0	-51.59	320.13	-0.35	-51.94
CCCC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860548	0	41	-1.0	-48.69	332.28	6.61	-42.08
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010860549	0	44	-1.0	-56.87	383.82	5.65	-51.22
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860550	0	45	-1.0	-49.88	380.43	4.84	-45.04
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010860551	0	41	-1.0	-55.90	340.24	4.74	-51.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010860552	0	32	-1.0	-50.71	299.86	4.03	-46.68
COC(=O)C1=CC=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860553	0	37	-1.0	-53.74	330.60	2.86	-50.88
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010860554	0	38	-1.0	-53.10	329.77	5.59	-47.51
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860555	0	48	-1.0	-50.98	389.39	6.73	-44.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010860556	0	37	-1.0	-54.38	314.78	4.53	-49.85
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860557	0	52	-1.0	-56.45	405.24	6.49	-49.96
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860558	0	39	-1.0	-55.25	334.55	4.01	-51.24
N#CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=CS1	REAL300010860559	0	30	-1.0	-53.50	289.55	3.45	-50.05
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C21	REAL300010860560	0	46	-1.0	-52.15	373.71	4.09	-48.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010860561	0	47	-1.0	-59.49	388.87	6.66	-52.83
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C21	REAL300010860562	0	46	-1.0	-64.56	379.01	5.95	-58.61
COC1=NC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860563	0	35	-1.0	-52.25	304.44	1.28	-50.97
CCC1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860564	0	43	-1.0	-48.40	333.70	4.36	-44.04
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010860565	0	39	-2.0	-105.37	323.54	3.66	-101.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300010860566	0	39	-1.0	-52.34	328.83	3.70	-48.64
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300010860567	0	39	-1.0	-48.98	327.44	3.91	-45.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010860568	0	42	-1.0	-49.30	338.99	4.40	-44.90
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010860569	0	44	-1.0	-52.16	369.97	6.94	-45.22
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860570	0	45	-1.0	-54.97	383.16	5.46	-49.51
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860571	0	42	-1.0	-54.07	352.63	4.86	-49.21
CC1(C)COC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=NN2C1	REAL300010860572	0	43	-1.0	-51.34	347.39	2.18	-49.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010860573	0	38	-1.0	-50.38	345.89	4.96	-45.42
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010860574	0	38	-1.0	-53.62	328.93	1.24	-52.38
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010860575	0	28	-2.0	-104.38	273.17	2.61	-101.77
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010860575	1	29	-1.0	-49.54	280.25	2.82	-46.72
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300010860576	0	39	-1.0	-51.17	317.65	3.97	-47.20
COC1=C(F)C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860577	0	36	-1.0	-48.77	324.06	3.56	-45.21
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010860578	0	36	-1.0	-50.01	320.54	3.49	-46.52
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010860579	0	57	-1.0	-49.68	452.64	8.62	-41.06
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860580	0	48	-1.0	-48.66	382.47	6.18	-42.48
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860581	0	42	-1.0	-50.93	353.89	5.45	-45.48
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010860582	0	55	-1.0	-52.05	443.65	6.48	-45.57
CC1=CSC(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860583	0	35	-1.0	-47.38	297.98	4.61	-42.77
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2O1	REAL300010860584	0	40	-1.0	-52.41	337.29	4.63	-47.78
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860585	0	40	-1.0	-49.06	347.79	3.71	-45.35
N#CC1(C2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300010860586	0	40	-1.0	-55.96	346.41	6.22	-49.74
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860587	0	36	-1.0	-51.37	314.26	4.61	-46.76
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860587	1	35	-2.0	-112.65	307.85	4.51	-108.14
CC1=C(Br)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010860588	0	35	-1.0	-49.66	317.60	5.25	-44.41
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010860589	0	35	-1.0	-48.39	323.11	6.02	-42.37
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300010860590	0	37	-1.0	-51.29	329.26	2.86	-48.43
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C21	REAL300010860591	0	49	-1.0	-62.29	386.29	5.97	-56.32
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010860592	0	38	-1.0	-52.22	328.23	4.53	-47.69
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C21	REAL300010860593	0	46	-1.0	-52.64	375.32	5.48	-47.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC=C2Cl)C1	REAL300010860594	0	29	-1.0	-49.75	284.04	3.55	-46.20
CN1N=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860595	0	32	-1.0	-48.40	296.99	2.11	-46.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010860596	0	34	-1.0	-48.38	312.38	3.18	-45.20
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860597	0	37	-1.0	-58.25	320.73	3.61	-54.64
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300010860598	0	41	-1.0	-47.89	322.40	3.96	-43.93
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300010860599	0	36	-1.0	-52.72	334.64	4.64	-48.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300010860600	0	33	-1.0	-49.66	292.96	2.78	-46.88
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010860601	0	35	-1.0	-57.13	324.15	3.77	-53.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010860602	0	35	-1.0	-49.79	317.46	5.48	-44.31
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860603	0	39	-1.0	-49.39	331.73	3.76	-45.63
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300010860604	0	41	-1.0	-49.31	330.62	6.29	-43.02
COC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010860605	0	40	-1.0	-52.50	336.38	3.89	-48.61
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010860606	0	41	-1.0	-56.08	346.49	1.22	-54.86
N#CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010860607	0	33	-1.0	-51.43	318.70	4.91	-46.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300010860608	0	35	-1.0	-51.75	309.40	4.36	-47.39
COC1=CC=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010860609	0	40	-1.0	-53.17	336.21	4.29	-48.88
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860610	0	34	-2.0	-97.90	330.63	3.25	-94.65
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860610	1	35	-1.0	-48.13	337.99	3.44	-44.69
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010860611	0	45	-1.0	-51.72	368.94	4.94	-46.78
N#CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010860612	0	36	-1.0	-53.26	327.21	5.88	-47.38
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010860613	0	39	-1.0	-52.24	336.32	3.95	-48.29
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860614	0	34	-2.0	-96.28	313.09	4.69	-91.59
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010860615	0	36	-1.0	-50.90	317.25	3.55	-47.35
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300010860616	0	36	-1.0	-56.34	334.37	4.64	-51.70
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010860617	0	35	-1.0	-52.38	305.99	3.19	-49.19
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010860617	1	34	-2.0	-112.72	302.36	3.01	-109.71
CN1N=NC2=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=CC=C21	REAL300010860618	0	37	-1.0	-63.68	323.82	2.46	-61.22
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300010860619	0	35	-1.0	-51.75	309.40	4.36	-47.39
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010860620	0	32	-2.0	-90.82	317.41	3.70	-87.12
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010860621	0	38	-1.0	-47.55	333.34	6.15	-41.40
CC1(C)CCCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300010860622	0	43	-1.0	-47.77	332.44	4.39	-43.38
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010860623	0	38	-1.0	-49.00	347.40	5.15	-43.85
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010860624	0	35	-1.0	-50.89	312.84	4.45	-46.44
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010860625	0	42	-1.0	-51.81	352.42	4.41	-47.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)NCCC2=CC=CC=C2)C1	REAL300010860626	0	40	-1.0	-49.61	340.06	4.10	-45.51
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860627	0	50	-1.0	-48.43	392.81	8.00	-40.43
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010860628	0	38	-1.0	-48.77	349.64	5.91	-42.86
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300010860629	0	29	-1.0	-48.94	284.33	3.64	-45.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010860630	0	42	-1.0	-51.04	353.36	4.65	-46.39
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010860631	0	36	-1.0	-50.15	316.48	4.97	-45.18
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010860632	0	43	-1.0	-50.10	378.13	6.88	-43.22
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860633	0	45	-1.0	-55.32	367.81	2.37	-52.95
COC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010860634	0	41	-1.0	-59.80	341.75	5.41	-54.39
CCCC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860635	0	41	-1.0	-48.89	342.82	6.24	-42.65
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860636	0	38	-1.0	-52.05	331.18	2.33	-49.72
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860637	0	33	-1.0	-52.71	303.06	4.36	-48.35
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860638	0	39	-1.0	-50.31	324.53	3.56	-46.75
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010860639	0	36	-1.0	-48.97	334.52	5.37	-43.60
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010860640	0	44	-1.0	-52.45	379.02	6.92	-45.53
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860641	0	41	-1.0	-48.38	323.39	3.74	-44.64
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860642	0	41	-1.0	-51.03	343.57	3.74	-47.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300010860643	0	39	-1.0	-50.53	328.48	3.06	-47.47
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010860644	0	37	-1.0	-49.77	329.42	3.85	-45.92
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010860645	0	35	-1.0	-47.49	323.58	5.10	-42.39
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300010860646	0	35	-1.0	-49.50	306.00	4.79	-44.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010860647	0	32	-1.0	-49.69	300.17	4.57	-45.12
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010860648	0	32	-1.0	-49.68	310.21	4.13	-45.55
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300010860649	0	37	-1.0	-48.86	306.10	3.22	-45.64
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860650	0	42	-1.0	-54.47	360.37	3.03	-51.44
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860651	0	29	-1.0	-47.89	284.07	2.80	-45.09
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010860651	1	28	-2.0	-99.90	277.30	2.52	-97.38
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010860652	0	35	-1.0	-47.49	330.09	5.42	-42.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010860653	0	35	-1.0	-51.32	299.95	5.34	-45.98
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860654	0	43	-1.0	-54.77	363.00	6.06	-48.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010860655	0	43	-1.0	-48.97	348.85	7.11	-41.86
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860656	0	42	-1.0	-59.08	358.42	5.70	-53.38
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010860657	0	38	-1.0	-48.84	341.58	5.05	-43.79
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300010860658	0	38	-1.0	-48.81	319.17	4.43	-44.38
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860659	0	37	-1.0	-51.06	337.89	4.54	-46.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010860660	0	39	-1.0	-56.44	331.16	2.37	-54.07
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860661	0	42	-1.0	-49.61	374.39	4.78	-44.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010860662	0	32	-1.0	-47.69	313.51	5.28	-42.41
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010860663	0	32	-1.0	-51.01	298.86	4.46	-46.55
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300010860664	0	39	-1.0	-49.43	327.46	6.11	-43.32
COC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=CS1	REAL300010860665	0	33	-1.0	-49.99	301.38	2.50	-47.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010860666	0	35	-1.0	-50.39	309.35	5.64	-44.75
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860667	0	38	-1.0	-49.32	344.86	4.40	-44.92
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010860668	0	39	-1.0	-50.56	333.82	6.24	-44.32
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010860669	0	42	-1.0	-49.75	339.19	4.35	-45.40
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860670	0	41	-1.0	-48.31	333.28	3.69	-44.62
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860671	0	41	-1.0	-55.73	349.22	1.48	-54.25
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860672	0	35	-1.0	-54.81	332.70	0.55	-54.26
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860673	0	41	-1.0	-55.73	349.22	1.48	-54.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=CS2)C1	REAL300010860674	0	33	-1.0	-49.63	303.12	4.40	-45.23
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010860675	0	35	-1.0	-52.24	304.36	5.61	-46.63
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860676	0	44	-1.0	-55.35	368.31	7.78	-47.57
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860677	0	46	-1.0	-48.02	345.09	4.95	-43.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010860678	0	32	-1.0	-48.12	303.55	3.29	-44.83
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010860678	1	31	-2.0	-98.80	295.85	3.09	-95.71
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860679	0	36	-1.0	-48.59	320.35	3.95	-44.64
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010860680	0	46	-1.0	-51.91	377.59	3.21	-48.70
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860681	0	38	-1.0	-49.26	331.64	5.55	-43.71
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010860682	0	36	-1.0	-50.88	317.68	3.61	-47.27
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010860683	0	47	-1.0	-50.07	372.07	6.56	-43.51
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860684	0	33	-1.0	-48.36	302.52	2.50	-45.86
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010860685	0	43	-1.0	-55.17	350.74	6.40	-48.77
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010860686	0	40	-1.0	-50.83	332.16	4.02	-46.81
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300010860687	0	35	-1.0	-52.80	311.62	2.73	-50.07
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860688	0	42	-1.0	-50.23	355.35	4.72	-45.51
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860689	0	41	-1.0	-53.18	357.59	6.21	-46.97
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860690	0	42	-1.0	-50.97	354.67	5.20	-45.77
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010860691	0	45	-1.0	-50.15	365.44	4.97	-45.18
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010860692	0	43	-1.0	-49.89	366.82	6.86	-43.03
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2CF)C1	REAL300010860693	0	35	-1.0	-50.62	299.75	5.12	-45.50
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860694	0	44	-1.0	-52.98	368.87	6.80	-46.18
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300010860695	0	38	-1.0	-48.43	335.95	5.76	-42.67
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010860696	0	37	-1.0	-50.23	337.36	5.41	-44.82
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010860696	1	36	-2.0	-108.72	335.27	5.43	-103.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010860697	0	31	-1.0	-53.18	302.11	2.28	-50.90
N#CC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1F	REAL300010860698	0	33	-1.0	-55.53	304.54	4.45	-51.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010860699	0	36	-1.0	-55.31	317.05	3.50	-51.81
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010860700	0	32	-2.0	-95.05	291.75	2.67	-92.38
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010860700	1	33	-1.0	-49.16	294.37	1.80	-47.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010860701	0	38	-1.0	-48.49	350.70	5.57	-42.92
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010860701	1	37	-2.0	-104.74	343.69	5.45	-99.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010860702	0	31	-1.0	-47.92	296.12	2.65	-45.27
N#CC1(OCCS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300010860703	0	44	-1.0	-53.13	362.03	1.75	-51.38
CCN1N=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010860704	0	35	-1.0	-49.04	321.05	2.98	-46.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010860705	0	36	-1.0	-50.43	329.38	5.76	-44.67
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)=C2	REAL300010860706	0	38	-1.0	-49.57	363.75	5.28	-44.29
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010860707	0	31	-2.0	-107.65	301.15	4.78	-102.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860708	0	34	-1.0	-52.13	319.36	3.26	-48.87
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860708	1	33	-2.0	-100.14	312.20	3.07	-97.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010860709	0	37	-1.0	-56.85	335.83	5.24	-51.61
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010860710	0	37	-1.0	-55.54	331.75	4.98	-50.56
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860711	0	34	-1.0	-52.13	319.36	3.26	-48.87
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010860711	1	33	-2.0	-100.14	312.20	3.07	-97.07
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010860712	0	41	-1.0	-51.66	337.82	6.96	-44.70
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860713	0	36	-1.0	-51.89	328.58	4.98	-46.91
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860713	1	35	-2.0	-115.11	323.22	4.86	-110.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010860714	0	39	-1.0	-51.16	335.93	4.34	-46.82
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860715	0	46	-1.0	-51.68	382.31	5.50	-46.18
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010860716	0	32	-1.0	-50.66	307.15	4.69	-45.97
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010860716	1	31	-2.0	-101.31	300.02	4.49	-96.82
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)O1	REAL300010860717	0	38	-1.0	-60.48	342.98	0.35	-60.13
CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010860718	0	42	-1.0	-54.85	353.54	5.51	-49.34
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010860719	0	38	-1.0	-51.57	350.65	1.48	-50.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010860720	0	36	-1.0	-50.25	317.71	5.31	-44.94
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010860721	0	36	-1.0	-50.45	332.54	5.86	-44.59
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010860722	0	36	-1.0	-49.72	332.59	5.87	-43.85
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010860723	0	37	-1.0	-58.83	321.83	-2.03	-60.86
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300010860724	0	35	-1.0	-55.20	300.17	4.13	-51.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300010860725	0	38	-1.0	-52.34	310.43	4.36	-47.98
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010860726	0	34	-1.0	-51.10	309.06	3.40	-47.70
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CCOC2CCOC2)C1	REAL300010860727	0	40	-1.0	-51.67	332.90	1.21	-50.46
CC1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010860728	0	41	-1.0	-52.42	352.06	3.25	-49.17
CC1=NC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010860728	1	40	-2.0	-113.40	346.31	3.06	-110.34
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010860729	0	49	-1.0	-49.21	354.85	6.84	-42.37
CC1(C)COC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300010860730	0	42	-1.0	-52.76	338.50	3.24	-49.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300010860731	0	35	-1.0	-58.21	309.73	-0.33	-58.54
CC(C)(CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(F)F	REAL300010860732	0	40	-1.0	-50.62	317.10	4.47	-46.15
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860733	0	40	-1.0	-62.17	348.59	0.84	-61.33
CC1(C)CCC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)OC1	REAL300010860734	0	45	-1.0	-51.06	352.75	4.15	-46.91
CCOC(=O)C1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C2C=CC=CN21	REAL300010860735	0	44	-1.0	-59.00	379.10	5.72	-53.28
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300010860736	0	42	-1.0	-49.90	348.47	6.32	-43.58
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010860737	0	36	-1.0	-58.31	326.05	3.05	-55.26
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300010860738	0	41	-1.0	-54.43	360.78	5.94	-48.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010860739	0	42	-1.0	-52.81	359.79	6.83	-45.98
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010860740	0	41	-1.0	-54.01	331.92	1.43	-52.58
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860741	0	41	-1.0	-55.04	350.91	4.90	-50.14
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010860742	0	45	-1.0	-49.51	345.43	6.02	-43.49
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010860743	0	36	-1.0	-48.83	322.82	5.37	-43.46
COC(=O)C1CCCCN1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860744	0	43	-1.0	-51.93	345.98	4.63	-47.30
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010860745	0	54	-1.0	-49.91	407.99	8.20	-41.71
N#CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010860746	0	35	-1.0	-52.81	323.65	4.82	-47.99
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860747	0	43	-1.0	-50.18	352.39	5.00	-45.18
CC1=CC=CC(CNS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860748	0	40	-1.0	-48.77	339.99	4.01	-44.76
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=NN1	REAL300010860749	0	38	-1.0	-50.57	339.45	1.87	-48.70
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860749	1	37	-2.0	-93.23	336.26	1.73	-91.50
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010860749	1	37	-2.0	-93.14	336.36	1.73	-91.41
COC1=CSC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010860750	0	37	-1.0	-49.90	329.11	1.96	-47.94
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860751	0	34	-2.0	-97.39	326.56	3.15	-94.24
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860751	1	35	-1.0	-48.33	333.91	3.34	-44.99
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010860752	0	44	-1.0	-47.83	337.59	4.47	-43.36
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860753	0	43	-1.0	-49.42	356.56	5.83	-43.59
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860754	0	36	-1.0	-50.29	326.53	5.10	-45.19
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860754	1	35	-2.0	-111.60	322.05	5.08	-106.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300010860755	0	36	-1.0	-51.34	328.46	4.73	-46.61
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860756	0	36	-1.0	-50.91	314.65	3.55	-47.36
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010860756	1	35	-2.0	-112.58	309.30	3.46	-109.12
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010860757	0	36	-1.0	-50.61	323.64	3.66	-46.95
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860758	0	38	-1.0	-50.79	322.65	3.97	-46.82
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010860759	0	35	-1.0	-55.67	308.66	5.58	-50.09
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010860760	0	41	-1.0	-49.25	357.30	4.52	-44.73
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010860761	0	29	-1.0	-45.63	303.89	4.15	-41.48
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010860761	1	28	-2.0	-95.63	296.98	3.98	-91.65
CN1N=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010860762	0	32	-1.0	-48.93	299.04	2.12	-46.81
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860763	0	45	-1.0	-53.14	369.05	6.33	-46.81
CC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010860764	0	49	-1.0	-51.56	396.62	5.92	-45.64
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010860765	0	35	-1.0	-49.03	332.82	5.39	-43.64
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010860766	0	37	-1.0	-52.02	329.44	4.60	-47.42
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860767	0	40	-1.0	-53.89	330.24	3.79	-50.10
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010860768	0	43	-1.0	-51.00	367.12	6.87	-44.13
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860769	0	38	-1.0	-55.48	314.94	6.02	-49.46
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860770	0	35	-1.0	-59.23	309.25	1.70	-57.53
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860770	1	34	-2.0	-122.00	302.35	1.49	-120.51
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010860771	0	37	-1.0	-52.04	333.10	2.60	-49.44
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010860772	0	33	-1.0	-52.66	320.67	2.86	-49.80
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860773	0	34	-1.0	-47.88	307.06	3.55	-44.33
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860774	0	43	-1.0	-50.62	362.07	5.66	-44.96
CCN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010860775	0	42	-1.0	-52.13	353.15	4.72	-47.41
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010860776	0	36	-1.0	-52.03	317.38	3.45	-48.58
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010860777	0	38	-1.0	-49.40	340.98	6.79	-42.61
CC(=O)OC1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1	REAL300010860778	0	40	-1.0	-50.53	336.82	3.13	-47.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010860779	0	42	-1.0	-49.01	369.35	7.95	-41.06
COC(=O)C1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010860780	0	35	-1.0	-50.23	334.77	5.07	-45.16
CCC1=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010860781	0	38	-1.0	-48.30	337.24	5.89	-42.41
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860782	0	45	-1.0	-49.83	361.18	4.93	-44.90
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300010860783	0	29	-1.0	-47.07	287.59	3.57	-43.50
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860784	0	46	-1.0	-51.55	383.97	4.33	-47.22
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010860785	0	38	-1.0	-50.72	337.39	6.87	-43.85
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860786	0	40	-1.0	-49.86	326.85	1.65	-48.21
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300010860787	0	39	-1.0	-49.19	322.02	6.30	-42.89
CC1(C)CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860788	0	43	-1.0	-48.30	329.05	4.00	-44.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC(CO)CC2)C1	REAL300010860789	0	41	-1.0	-49.22	326.16	0.41	-48.81
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860790	0	46	-1.0	-56.35	386.46	4.62	-51.73
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010860791	0	47	-1.0	-50.05	379.86	4.35	-45.70
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860792	0	35	-1.0	-49.04	321.21	1.77	-47.27
COC1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860793	0	38	-1.0	-49.63	325.81	1.45	-48.18
CC(C)CN1C=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=N1	REAL300010860794	0	41	-1.0	-51.11	346.47	4.12	-46.99
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860795	0	41	-1.0	-51.31	345.79	3.73	-47.58
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010860796	0	31	-1.0	-52.29	306.19	2.03	-50.26
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010860797	0	42	-1.0	-51.21	341.34	1.88	-49.33
COCC1=CC(CS(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=NO1	REAL300010860798	0	38	-1.0	-55.49	332.44	1.90	-53.59
N#CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)SC=C1	REAL300010860799	0	30	-1.0	-51.56	288.04	3.26	-48.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010860800	0	35	-1.0	-56.72	328.71	3.88	-52.84
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010860801	0	29	-2.0	-108.61	284.66	1.59	-107.02
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010860801	1	30	-1.0	-49.33	292.69	1.85	-47.48
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860802	0	36	-1.0	-55.42	327.23	2.09	-53.33
CC1=C(C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010860803	0	38	-1.0	-48.35	316.25	5.27	-43.08
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010860804	0	31	-1.0	-51.58	287.27	2.84	-48.74
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Cl)C1	REAL300010860804	1	30	-2.0	-114.12	279.03	2.65	-111.47
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860805	0	36	-1.0	-50.59	328.01	4.52	-46.07
COC1=CC=NC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860806	0	35	-1.0	-50.87	302.74	1.96	-48.91
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010860807	0	34	-1.0	-50.28	314.25	3.16	-47.12
COC1=NC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010860808	0	35	-1.0	-50.69	318.71	1.29	-49.40
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860809	0	41	-1.0	-54.92	362.56	3.04	-51.88
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)S1	REAL300010860809	1	40	-2.0	-94.22	352.99	1.77	-92.45
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860810	0	39	-1.0	-58.26	341.32	1.86	-56.40
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010860811	0	36	-1.0	-49.06	342.09	6.19	-42.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010860812	0	37	-1.0	-49.98	332.60	6.30	-43.68
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010860813	0	30	-2.0	-109.16	293.83	2.64	-106.52
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010860813	1	31	-1.0	-50.55	297.45	3.12	-47.43
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N=C1	REAL300010860814	0	43	-1.0	-51.31	351.32	4.40	-46.91
CC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860815	0	38	-1.0	-48.91	315.96	3.01	-45.90
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010860816	0	40	-1.0	-51.21	334.84	5.28	-45.93
COC(=O)C1=NC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010860817	0	40	-1.0	-50.84	345.26	3.41	-47.43
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860818	0	35	-1.0	-57.22	317.45	5.93	-51.29
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300010860819	0	39	-1.0	-49.86	327.26	3.80	-46.06
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010860820	0	39	-1.0	-53.55	330.01	4.79	-48.76
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010860821	0	34	-1.0	-51.17	307.45	3.01	-48.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300010860822	0	37	-1.0	-52.41	312.47	4.36	-48.05
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300010860823	0	41	-1.0	-50.69	344.61	3.80	-46.89
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010860824	0	39	-1.0	-52.33	339.93	6.26	-46.07
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010860825	0	34	-1.0	-51.67	307.73	3.14	-48.53
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300010860826	0	32	-1.0	-47.60	294.74	4.49	-43.11
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=C1NCCC2	REAL300010860827	0	44	-1.0	-48.77	348.31	4.96	-43.81
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300010860828	0	46	-1.0	-49.67	386.23	7.52	-42.15
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010860829	0	39	-1.0	-50.36	339.51	6.20	-44.16
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010860830	0	29	-1.0	-49.47	288.05	3.69	-45.78
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010860831	0	36	-1.0	-52.66	330.08	4.54	-48.12
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860832	0	34	-1.0	-47.84	311.65	3.63	-44.21
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010860833	0	37	-1.0	-52.90	316.19	4.58	-48.32
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860834	0	41	-1.0	-53.13	346.36	5.94	-47.19
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010860835	0	43	-1.0	-50.98	362.66	8.15	-42.83
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010860836	0	35	-1.0	-50.92	316.80	5.00	-45.92
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010860837	0	31	-1.0	-48.00	294.81	2.82	-45.18
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010860838	0	34	-1.0	-53.96	301.63	3.59	-50.37
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010860838	1	33	-2.0	-114.75	294.34	3.45	-111.30
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010860839	0	35	-1.0	-48.83	306.66	3.58	-45.25
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860840	0	40	-1.0	-57.01	333.62	-0.24	-57.25
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300010860841	0	39	-1.0	-49.04	309.41	2.09	-46.95
N#CC1CCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300010860842	0	38	-1.0	-54.91	314.85	3.38	-51.53
CC1=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010860843	0	34	-1.0	-50.56	314.06	3.24	-47.32
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010860844	0	30	-2.0	-103.61	301.25	3.17	-100.44
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010860844	1	31	-1.0	-47.09	307.17	3.42	-43.67
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010860845	0	36	-1.0	-58.01	327.29	3.31	-54.70
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010860846	0	36	-1.0	-50.25	317.71	5.31	-44.94
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010860847	0	36	-1.0	-49.78	328.03	5.76	-44.02
CP(C)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860848	0	41	-1.0	-56.17	358.55	3.61	-52.56
COC1=CC=NC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860849	0	35	-1.0	-51.69	305.17	1.49	-50.20
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010860850	0	39	-1.0	-51.69	332.32	6.41	-45.28
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010860851	0	35	-1.0	-50.64	326.64	5.69	-44.95
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010860852	0	36	-1.0	-48.53	329.93	3.95	-44.58
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300010860853	0	39	-1.0	-53.85	327.88	4.78	-49.07
CCOC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010860854	0	45	-1.0	-54.89	382.10	5.63	-49.26
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010860855	0	45	-1.0	-52.13	377.84	6.56	-45.57
COC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N=C1	REAL300010860856	0	35	-1.0	-50.41	304.63	1.44	-48.97
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860857	0	38	-1.0	-48.98	343.34	2.23	-46.75
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860858	0	38	-1.0	-50.39	345.93	6.13	-44.26
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860858	1	37	-2.0	-108.18	339.17	5.96	-102.22
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860859	0	37	-1.0	-52.89	318.79	3.77	-49.12
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860860	0	38	-1.0	-57.87	327.69	5.70	-52.17
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860860	1	37	-2.0	-122.26	325.51	5.41	-116.85
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010860861	0	37	-1.0	-51.11	315.94	4.51	-46.60
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=CC=C2I)C1	REAL300010860862	0	32	-1.0	-49.49	300.91	5.35	-44.14
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860863	0	38	-1.0	-54.76	321.49	3.34	-51.42
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010860864	0	43	-1.0	-53.37	374.97	5.02	-48.35
CC1=CC=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010860865	0	40	-1.0	-57.39	337.03	5.23	-52.16
O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010860866	0	27	-2.0	-96.51	279.34	2.15	-94.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010860866	1	28	-1.0	-45.89	279.61	2.26	-43.63
NC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860867	0	34	-1.0	-48.82	314.81	2.52	-46.30
O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010860868	0	39	-1.0	-47.48	313.59	7.06	-40.42
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300010860869	0	34	-1.0	-51.20	301.24	3.33	-47.87
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010860870	0	34	-1.0	-50.89	301.74	3.35	-47.54
CC1=C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010860871	0	32	-1.0	-46.45	305.28	4.54	-41.91
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010860872	0	34	-1.0	-54.75	309.79	3.12	-51.63
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300010860873	0	39	-1.0	-53.24	352.34	5.03	-48.21
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C2	REAL300010860874	0	49	-1.0	-45.65	345.42	8.75	-36.90
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300010860875	0	45	-1.0	-51.33	368.49	6.00	-45.33
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010860876	0	36	-2.0	-94.87	324.74	4.02	-90.85
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010860876	1	37	-1.0	-52.17	327.95	3.08	-49.09
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300010860877	0	37	-1.0	-52.79	312.57	4.74	-48.05
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300010860878	0	38	-1.0	-51.18	334.70	7.08	-44.10
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300010860879	0	38	-1.0	-52.30	321.09	6.69	-45.61
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=C1C	REAL300010860880	0	50	-1.0	-50.70	370.55	8.88	-41.82
COC(=O)CC1(CS(=O)(=O)N2CCC(CCC(=O)[O-])CC2)CC1	REAL300010860881	0	47	-1.0	-51.55	379.34	6.96	-44.59
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(CCC(=O)[O-])CC1	REAL300010860882	0	44	-1.0	-55.90	353.67	7.99	-47.91
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300010860883	0	47	-1.0	-52.84	390.05	8.04	-44.80
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300010860884	0	38	-1.0	-52.08	335.64	7.17	-44.91
COC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010860885	0	44	-1.0	-56.67	368.90	7.20	-49.47
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300010860886	0	50	-1.0	-51.24	389.60	8.77	-42.47
CC(C)C1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300010860887	0	47	-1.0	-51.32	373.64	8.38	-42.94
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COC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1Cl	REAL300010860996	0	42	-1.0	-52.36	358.91	6.31	-46.05
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300010860997	0	42	-1.0	-52.76	368.66	6.58	-46.18
COC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C=C1C	REAL300010860998	0	45	-1.0	-52.16	362.95	6.49	-45.67
CC1=CC(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300010860999	0	51	-1.0	-51.70	402.74	8.04	-43.66
COC1=CC=C(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)C(C)=C1	REAL300010861000	0	45	-1.0	-49.92	346.49	6.03	-43.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300010870704	0	38	-1.0	-43.30	305.06	4.18	-39.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010870705	0	38	-1.0	-56.02	326.67	4.98	-51.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1CCCCC1C(=O)OC	REAL300010870706	0	43	-1.0	-44.95	330.24	5.91	-39.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300010870707	0	46	-1.0	-45.11	355.73	5.47	-39.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC	REAL300010870708	0	39	-1.0	-57.39	329.31	6.68	-50.71
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C=C1	REAL300010870709	0	38	-1.0	-56.44	318.60	3.36	-53.08
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300010870710	0	39	-1.0	-51.94	314.98	6.38	-45.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010870711	0	36	-1.0	-43.03	318.27	4.89	-38.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010870712	0	31	-1.0	-48.65	290.64	5.58	-43.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010870713	0	33	-1.0	-69.02	274.35	6.04	-62.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010870714	0	28	-1.0	-41.78	269.49	3.24	-38.54
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300010870715	0	41	-1.0	-67.71	319.40	5.43	-62.28
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010870716	0	33	-1.0	-54.38	287.88	5.99	-48.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300010870717	0	35	-1.0	-44.01	315.91	4.43	-39.58
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1C	REAL300010870718	0	41	-1.0	-62.35	344.30	6.38	-55.97
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010870719	0	44	-1.0	-64.28	374.24	5.59	-58.69
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C12	REAL300010870720	0	38	-1.0	-42.75	326.30	2.22	-40.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010870721	0	43	-1.0	-45.93	350.70	6.09	-39.84
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010870722	0	31	-1.0	-55.08	276.38	5.29	-49.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)N=C1Cl	REAL300010870723	0	33	-1.0	-48.15	284.97	3.68	-44.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C=C1OC	REAL300010870724	0	36	-1.0	-43.37	304.76	5.13	-38.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010870725	0	38	-1.0	-43.64	323.09	6.08	-37.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300010870726	0	35	-1.0	-42.59	321.13	6.05	-36.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1	REAL300010870727	0	33	-1.0	-50.61	302.95	4.97	-45.64
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010870728	0	41	-1.0	-69.96	350.55	1.70	-68.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(OC)=C1	REAL300010870729	0	34	-1.0	-49.61	300.57	3.24	-46.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC	REAL300010870730	0	40	-1.0	-43.86	341.86	5.55	-38.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010870731	0	46	-1.0	-48.04	379.68	5.02	-43.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010870732	0	30	-1.0	-51.81	288.12	4.46	-47.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C	REAL300010870733	0	49	0.0	-63.62	380.18	5.73	-57.89
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(F)=C1	REAL300010870734	0	37	-1.0	-59.23	312.02	6.90	-52.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300010870735	0	34	-1.0	-50.31	291.83	5.80	-44.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010870736	0	35	-1.0	-57.06	295.38	4.47	-52.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010870737	0	31	-1.0	-40.13	282.91	5.33	-34.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300010870738	0	39	-1.0	-59.62	316.94	5.09	-54.53
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1C	REAL300010870739	0	58	-1.0	-44.69	453.25	9.22	-35.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010870740	0	40	-1.0	-58.60	326.16	6.08	-52.52
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300010870741	0	45	-1.0	-43.47	375.70	5.38	-38.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010870742	0	32	-1.0	-43.26	284.25	5.03	-38.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010870743	0	34	-1.0	-54.88	307.62	3.67	-51.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010870744	0	46	-1.0	-58.05	356.19	5.42	-52.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010870745	0	37	-1.0	-55.26	327.75	8.22	-47.04
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCCCC(=O)OC	REAL300010870746	0	42	-1.0	-61.87	346.44	5.36	-56.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010870747	0	36	-1.0	-47.43	310.30	3.73	-43.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C=C1	REAL300010870748	0	39	-1.0	-53.51	329.43	2.68	-50.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010870750	0	34	-1.0	-41.97	315.25	5.95	-36.02
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870751	0	42	-1.0	-61.08	334.32	3.18	-57.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Br)C=C1C	REAL300010870752	0	36	-1.0	-36.71	311.56	5.97	-30.74
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1	REAL300010870753	0	37	-1.0	-44.01	328.58	5.33	-38.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010870754	0	41	-1.0	-57.97	357.85	4.06	-53.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010870755	0	42	-1.0	-61.28	359.52	7.18	-54.10
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300010870756	0	41	-1.0	-55.61	336.88	5.24	-50.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010870757	0	46	-1.0	-42.16	375.57	5.61	-36.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010870758	0	34	-1.0	-61.35	305.22	3.64	-57.71
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010870759	0	42	-1.0	-45.26	346.02	5.86	-39.40
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(C)C=CN=C12	REAL300010870760	0	39	-1.0	-52.49	315.61	5.89	-46.60
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300010870761	0	39	-1.0	-41.45	337.38	4.22	-37.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010870762	0	34	-1.0	-55.81	291.86	6.19	-49.62
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010870763	0	34	-1.0	-38.96	300.01	5.73	-33.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300010870764	0	34	-1.0	-42.46	307.82	5.79	-36.67
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300010870765	0	35	-1.0	-54.15	292.19	5.38	-48.77
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1	REAL300010870766	0	38	-1.0	-50.71	341.07	4.22	-46.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010870767	0	42	-1.0	-72.81	337.55	4.08	-68.73
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010870768	0	43	-1.0	-61.59	350.35	4.15	-57.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010870769	0	37	-1.0	-51.15	343.30	2.61	-48.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010870770	0	39	-1.0	-46.64	335.37	5.88	-40.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1	REAL300010870771	0	41	-1.0	-57.97	357.85	4.06	-53.91
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010870772	0	39	-1.0	-57.99	310.81	5.70	-52.29
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010870773	0	34	-1.0	-59.86	307.89	6.76	-53.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC	REAL300010870774	0	41	-1.0	-45.91	338.36	5.40	-40.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(=O)OC)SC=C1C	REAL300010870775	0	37	-1.0	-56.78	306.06	5.25	-51.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300010870776	0	35	-1.0	-42.65	300.81	3.90	-38.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300010870777	0	42	-1.0	-46.40	345.86	4.75	-41.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300010870778	0	45	-1.0	-41.67	368.62	5.54	-36.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010870779	0	45	-1.0	-41.46	369.27	7.65	-33.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC	REAL300010870780	0	39	-1.0	-64.08	327.99	7.29	-56.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010870781	0	31	-1.0	-40.13	300.05	5.33	-34.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010870782	0	43	0.0	-84.40	341.21	6.39	-78.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010870783	0	39	-1.0	-53.55	314.80	4.85	-48.70
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2O1	REAL300010870784	0	46	-1.0	-55.18	390.48	7.41	-47.77
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870785	0	43	-1.0	-42.87	351.59	6.64	-36.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010870786	0	31	-1.0	-42.12	290.10	5.36	-36.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C)=C(Cl)S1	REAL300010870787	0	31	-1.0	-46.85	292.65	4.82	-42.03
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010870788	0	37	-1.0	-56.69	305.33	5.83	-50.86
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1F	REAL300010870789	0	35	-1.0	-43.50	291.09	4.01	-39.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300010870790	0	39	-1.0	-55.94	315.76	7.37	-48.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010870791	0	37	-1.0	-53.74	323.85	6.28	-47.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010870792	0	41	-1.0	-44.50	341.58	7.16	-37.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1C	REAL300010870793	0	34	-1.0	-37.97	296.86	5.41	-32.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010870794	0	36	-1.0	-52.64	304.03	4.85	-47.79
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300010870795	0	37	-1.0	-48.13	315.35	5.96	-42.17
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300010870796	0	39	-1.0	-54.47	313.23	7.26	-47.21
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010870797	0	31	-1.0	-46.05	286.28	5.33	-40.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010870798	0	33	-1.0	-60.74	300.28	7.27	-53.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C	REAL300010870799	0	41	-1.0	-44.50	341.58	7.16	-37.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010870800	0	30	-1.0	-50.01	284.69	3.38	-46.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010870801	0	31	-1.0	-39.63	302.05	5.66	-33.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010870802	0	42	-1.0	-47.26	361.62	4.33	-42.93
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010870803	0	31	-1.0	-42.51	286.70	4.98	-37.53
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300010870804	0	41	-1.0	-56.42	320.44	6.04	-50.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1	REAL300010870805	0	37	-1.0	-42.98	325.24	5.26	-37.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300010870806	0	35	-1.0	-41.40	302.78	4.71	-36.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010870807	0	32	-1.0	-54.48	295.23	3.82	-50.66
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010870808	0	44	-1.0	-43.48	354.07	7.91	-35.57
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010870809	0	42	-1.0	-46.64	347.15	5.33	-41.31
CCN(C(=O)N1CCC(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300010870810	0	48	-1.0	-51.33	350.48	10.00	-41.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010870811	0	45	-1.0	-43.85	347.53	6.28	-37.57
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1C	REAL300010870812	0	38	-1.0	-41.94	300.27	4.14	-37.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC(C(=O)OC)=C1	REAL300010870813	0	36	-1.0	-54.86	317.68	3.89	-50.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010870814	0	32	-1.0	-48.15	303.33	5.39	-42.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010870815	0	33	-1.0	-37.23	308.72	5.85	-31.38
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300010870816	0	38	-1.0	-39.76	317.28	4.69	-35.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1	REAL300010870817	0	37	-1.0	-48.25	335.11	5.21	-43.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010870818	0	38	-1.0	-57.08	315.69	4.60	-52.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300010870819	0	39	-1.0	-42.85	330.48	4.06	-38.79
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010870820	0	35	-1.0	-44.52	311.40	4.22	-40.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010870821	0	34	-1.0	-42.08	310.25	5.64	-36.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300010870822	0	42	-1.0	-60.07	360.04	1.99	-58.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C2S1	REAL300010870823	0	43	-1.0	-55.06	373.72	8.34	-46.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010870824	0	37	-1.0	-61.75	311.16	3.92	-57.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010870825	0	36	-1.0	-63.01	324.06	0.35	-62.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C=C1F	REAL300010870826	0	37	-1.0	-41.71	316.33	5.37	-36.34
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870827	0	39	-1.0	-49.43	326.48	5.92	-43.51
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1Br	REAL300010870828	0	35	-1.0	-49.22	302.57	4.37	-44.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300010870829	0	37	-1.0	-51.44	297.00	3.85	-47.59
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010870830	0	37	-1.0	-42.95	332.69	5.75	-37.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC	REAL300010870831	0	37	-1.0	-51.66	307.15	5.50	-46.16
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010870832	0	31	-1.0	-45.40	284.93	5.45	-39.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(F)C=C1C	REAL300010870833	0	37	-1.0	-52.65	293.79	6.52	-46.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010870834	0	31	-1.0	-40.20	286.21	5.31	-34.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2	REAL300010870835	0	41	-1.0	-43.62	338.12	1.51	-42.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010870836	0	33	-1.0	-40.25	304.22	5.78	-34.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010870837	0	33	-1.0	-38.99	304.63	5.31	-33.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010870838	0	31	-1.0	-52.56	291.13	5.90	-46.66
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010870839	0	32	-1.0	-45.80	281.53	3.43	-42.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010870840	0	31	-1.0	-49.02	287.30	5.13	-43.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1	REAL300010870841	0	41	-1.0	-45.70	347.15	5.23	-40.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010870842	0	31	-1.0	-46.33	289.83	5.59	-40.74
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010870843	0	34	-1.0	-60.40	302.03	6.70	-53.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(NC(C)=O)S1	REAL300010870844	0	34	-1.0	-60.45	306.80	2.89	-57.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C([N-]C(C)=O)S1	REAL300010870844	1	33	-2.0	-99.17	302.07	1.71	-97.46
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010870845	0	34	-1.0	-60.35	306.59	6.81	-53.54
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010870846	0	35	-1.0	-50.49	317.18	1.88	-48.61
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870847	0	40	-1.0	-67.16	323.00	6.94	-60.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300010870848	0	39	-1.0	-60.76	317.27	2.50	-58.26
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010870849	0	35	-1.0	-50.38	321.74	1.98	-48.40
CCOC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870850	0	38	-1.0	-57.15	311.98	5.57	-51.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010870851	0	42	-1.0	-55.71	334.63	6.06	-49.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010870852	0	35	-1.0	-42.92	322.59	5.76	-37.16
CCN(C(C)C(=O)[O-])S(=O)(=O)N(CCC#N)CCOC	REAL300010870853	0	40	-1.0	-43.43	328.63	3.01	-40.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300010870854	0	38	-1.0	-61.46	336.36	5.46	-56.00
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010870855	0	34	-1.0	-53.14	283.74	3.36	-49.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010870856	0	32	-1.0	-52.49	290.12	5.01	-47.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010870857	0	32	-1.0	-44.81	290.65	5.13	-39.68
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300010870858	0	37	-1.0	-49.79	309.52	6.17	-43.62
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870859	0	48	-1.0	-54.39	402.69	4.29	-50.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010870860	0	37	-1.0	-58.08	317.76	6.02	-52.06
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300010870861	0	45	-1.0	-55.88	370.60	1.76	-54.12
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300010870862	0	41	-1.0	-49.01	346.76	1.71	-47.30
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010870863	0	31	-1.0	-47.28	285.27	5.39	-41.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1	REAL300010870864	0	48	-1.0	-56.58	375.42	6.40	-50.18
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1	REAL300010870865	0	40	-1.0	-53.05	345.53	6.82	-46.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC	REAL300010870866	0	41	-1.0	-50.41	353.62	6.20	-44.21
CCCC1=CC=C(Cl)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870867	0	40	-1.0	-45.71	328.21	6.83	-38.88
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1Cl	REAL300010870868	0	40	-1.0	-43.86	328.22	6.68	-37.18
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C(=O)NC)C=C1	REAL300010870869	0	41	-1.0	-67.71	346.64	3.88	-63.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC	REAL300010870870	0	45	-1.0	-48.60	366.38	6.13	-42.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010870871	0	31	-1.0	-43.29	282.48	4.83	-38.46
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010870872	0	44	-1.0	-62.08	362.32	7.03	-55.05
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010870873	0	40	-1.0	-41.60	354.86	6.29	-35.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010870874	0	33	-1.0	-45.13	304.20	6.25	-38.88
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010870875	0	40	-1.0	-47.64	326.01	1.70	-45.94
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(CC)C(C)C(=O)[O-]	REAL300010870876	0	39	-1.0	-44.01	323.78	5.68	-38.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC	REAL300010870877	0	42	-1.0	-55.08	356.30	4.40	-50.68
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C(F)C=C1C	REAL300010870878	0	43	-1.0	-43.33	359.22	6.58	-36.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1	REAL300010870879	0	45	-1.0	-62.79	372.21	3.57	-59.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300010870880	0	42	-1.0	-46.06	341.14	3.91	-42.15
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870881	0	44	-1.0	-44.19	363.98	5.84	-38.35
CCOC(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CC=C1C	REAL300010870882	0	43	-1.0	-50.69	355.53	6.60	-44.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010870883	0	34	-1.0	-44.80	290.61	5.28	-39.52
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870884	0	43	-1.0	-63.27	359.50	7.71	-55.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC	REAL300010870885	0	37	-1.0	-52.66	332.64	6.64	-46.02
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010870886	0	34	-1.0	-58.55	297.37	7.06	-51.49
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300010870887	0	47	-1.0	-60.28	362.86	6.86	-53.42
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300010870888	0	36	-1.0	-43.90	313.65	3.75	-40.15
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010870889	0	37	-1.0	-43.24	327.31	6.62	-36.62
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870890	0	40	-1.0	-45.38	342.32	5.90	-39.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010870891	0	41	-1.0	-59.96	333.85	8.76	-51.20
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870892	0	45	-1.0	-53.43	381.98	2.28	-51.15
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010870893	0	34	-1.0	-54.97	302.66	5.74	-49.23
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=CN1C	REAL300010870894	0	43	-1.0	-60.49	362.24	6.53	-53.96
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010870895	0	37	-1.0	-65.06	338.24	2.96	-62.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010870896	0	35	-1.0	-54.79	311.10	5.45	-49.34
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010870897	0	34	-1.0	-51.13	295.02	5.35	-45.78
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1C	REAL300010870898	0	33	-1.0	-49.26	282.96	3.80	-45.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Br)N(C)C(C)=N1	REAL300010870899	0	34	-1.0	-55.98	300.87	3.99	-51.99
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010870900	0	32	-1.0	-50.53	290.33	3.55	-46.98
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870901	0	44	-1.0	-64.87	352.60	6.17	-58.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010870902	0	34	-2.0	-106.50	304.28	4.01	-102.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010870902	1	35	-1.0	-38.31	304.53	3.35	-34.96
CCOC(=O)CC1(S(=O)(=O)N(CC)C(C)C(=O)[O-])CC1	REAL300010870903	0	40	-1.0	-42.97	321.82	5.86	-37.11
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010870904	0	48	-1.0	-63.52	406.95	5.91	-57.61
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010870905	0	32	-1.0	-39.44	306.21	5.22	-34.22
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC	REAL300010870906	0	42	-1.0	-46.39	354.83	3.95	-42.44
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1	REAL300010870907	0	46	-1.0	-47.34	378.58	7.43	-39.91
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870908	0	43	-1.0	-55.59	366.50	3.70	-51.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010870909	0	36	-1.0	-52.16	309.23	1.69	-50.47
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCC1	REAL300010870910	0	43	-1.0	-48.50	333.85	6.26	-42.24
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010870911	0	30	-1.0	-50.07	298.26	3.88	-46.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300010870912	0	38	-1.0	-49.95	335.46	4.84	-45.11
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300010870913	0	37	-1.0	-53.55	322.16	6.54	-47.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010870914	0	42	-1.0	-55.12	365.64	8.70	-46.42
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(CC(=O)OC)=C1	REAL300010870915	0	40	-1.0	-63.66	336.61	6.77	-56.89
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010870916	0	33	-1.0	-50.06	287.85	4.73	-45.33
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010870917	0	37	-1.0	-55.64	325.84	6.48	-49.16
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCC1	REAL300010870918	0	40	-1.0	-66.17	324.97	5.30	-60.87
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010870919	0	31	-1.0	-52.67	292.68	5.56	-47.11
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010870920	0	35	-1.0	-48.66	313.80	5.62	-43.04
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300010870921	0	34	-1.0	-44.69	311.27	6.22	-38.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1	REAL300010870922	0	44	-1.0	-59.24	377.14	5.10	-54.14
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870923	0	47	-1.0	-53.07	395.37	5.90	-47.17
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1(C(=O)OC)CCCCC1	REAL300010870924	0	46	-1.0	-61.00	345.79	6.63	-54.37
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1	REAL300010870925	0	39	-1.0	-51.77	327.46	4.67	-47.10
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010870926	0	35	-1.0	-49.61	312.49	4.33	-45.28
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(CC)C(C)C(=O)[O-])=C1	REAL300010870927	0	40	-1.0	-46.41	358.49	6.60	-39.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010870928	0	32	-1.0	-48.59	289.00	4.86	-43.73
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010870929	0	47	-1.0	-62.40	395.22	6.31	-56.09
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010870930	0	33	-1.0	-44.04	303.87	4.16	-39.88
CCN(C(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300010870931	0	44	-1.0	-56.42	320.05	6.52	-49.90
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010870932	0	40	-1.0	-58.65	324.40	6.93	-51.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010870933	0	32	-1.0	-38.92	290.63	4.42	-34.50
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010870934	0	37	-1.0	-62.88	322.34	6.47	-56.41
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010870935	0	34	-1.0	-51.37	293.71	3.02	-48.35
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010870936	0	33	-1.0	-60.82	295.87	7.17	-53.65
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F	REAL300010870937	0	40	-1.0	-43.34	336.36	5.64	-37.70
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1	REAL300010870938	0	39	-1.0	-50.01	339.28	5.88	-44.13
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300010870939	0	40	-1.0	-53.06	316.92	5.74	-47.32
CCN(C(C)C(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010870940	0	41	-1.0	-53.52	341.40	5.21	-48.31
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300010870941	0	58	-1.0	-57.36	419.79	10.73	-46.63
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010870942	0	36	-1.0	-46.73	312.24	5.78	-40.95
CCOC(=O)C1=CC=C(CS(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870943	0	43	-1.0	-59.98	364.81	6.85	-53.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CN=C1C(=O)OC	REAL300010870944	0	36	-1.0	-64.71	297.03	4.21	-60.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300010870945	0	38	-1.0	-54.46	328.11	5.61	-48.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300010870946	0	43	-1.0	-58.89	351.22	6.43	-52.46
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010870947	0	39	-1.0	-56.35	321.33	6.30	-50.05
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010870948	0	34	-1.0	-49.78	299.55	4.98	-44.80
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010870949	0	34	-1.0	-52.13	313.41	6.58	-45.55
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300010870950	0	45	-1.0	-46.43	377.72	3.14	-43.29
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300010870950	1	44	-2.0	-103.89	374.84	3.19	-100.70
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010870951	0	34	-1.0	-59.64	312.31	6.86	-52.78
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010870952	0	40	-1.0	-73.67	346.49	3.73	-69.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300010870953	0	40	-1.0	-52.56	329.55	7.36	-45.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C	REAL300010870954	0	40	-1.0	-50.88	340.48	6.30	-44.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010870955	0	46	-1.0	-58.12	383.91	4.98	-53.14
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1	REAL300010870956	0	44	-1.0	-55.55	358.95	4.86	-50.69
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010870957	0	34	-1.0	-47.88	307.87	5.81	-42.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010870958	0	37	-1.0	-51.36	310.41	6.54	-44.82
CCC1=CC(CC)=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(CC)=C1	REAL300010870959	0	49	-1.0	-50.97	355.29	8.50	-42.47
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300010870960	0	50	-1.0	-48.10	406.62	5.29	-42.81
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010870961	0	38	-1.0	-57.90	318.30	4.18	-53.72
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010870962	0	33	-1.0	-41.93	307.89	4.37	-37.56
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300010870963	0	39	-1.0	-41.66	332.98	4.11	-37.55
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010870964	0	39	-1.0	-43.79	337.08	3.15	-40.64
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010870965	0	36	-1.0	-55.84	317.07	-0.56	-56.40
CCN(C(C)C(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010870966	0	42	-1.0	-63.12	335.88	1.62	-61.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300010870967	0	35	-1.0	-42.57	310.61	4.38	-38.19
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010870968	0	34	-1.0	-44.29	293.00	2.22	-42.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC	REAL300010870969	0	44	-1.0	-57.28	351.56	5.70	-51.58
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300010870970	0	40	-1.0	-49.26	322.71	7.19	-42.07
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010870971	0	35	-1.0	-38.85	303.72	4.58	-34.27
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010870972	0	35	-1.0	-38.96	314.03	5.02	-33.94
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1	REAL300010870973	0	40	-1.0	-55.20	345.25	5.97	-49.23
CCN(C(C)C(=O)[O-])S(=O)(=O)CC(CC1=CC=CC=C1)OC	REAL300010870974	0	44	-1.0	-60.00	353.39	6.31	-53.69
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300010870975	0	35	-1.0	-41.45	292.46	4.26	-37.19
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010870976	0	34	-1.0	-40.86	323.42	6.31	-34.55
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010870977	0	34	-1.0	-55.46	321.56	6.33	-49.13
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010870978	0	34	-1.0	-38.54	299.36	3.55	-34.99
CCC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010870979	0	39	-1.0	-62.27	329.32	6.51	-55.76
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300010870980	0	47	-1.0	-44.46	362.37	6.51	-37.95
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010870981	0	38	-1.0	-57.77	342.73	7.12	-50.65
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010870982	0	38	-1.0	-65.52	332.42	6.77	-58.75
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(Cl)=C1	REAL300010870983	0	34	-1.0	-50.49	304.00	2.55	-47.94
CCOC(=O)C1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C(F)=C1	REAL300010870984	0	40	-1.0	-41.28	337.89	6.31	-34.97
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1	REAL300010870985	0	40	-1.0	-53.93	353.36	6.97	-46.96
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010870986	0	34	-1.0	-56.79	304.87	5.78	-51.01
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300010870987	0	34	-1.0	-53.28	295.12	6.43	-46.85
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010870988	0	37	-1.0	-56.57	311.78	5.59	-50.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300010870989	0	40	-1.0	-45.26	352.16	6.06	-39.20
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F	REAL300010870990	0	37	-1.0	-42.32	330.93	5.84	-36.48
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F	REAL300010870991	0	40	-1.0	-50.69	336.32	6.00	-44.69
CCOC1=CC=C(S(=O)(=O)N(CC)C(C)C(=O)[O-])C=C1	REAL300010870992	0	38	-1.0	-51.09	314.18	4.71	-46.38
CCN(C(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1C	REAL300010870993	0	37	-1.0	-58.75	317.73	7.36	-51.39
CCN(C(C)C(=O)[O-])S(=O)(=O)CCCC1CCOCC1	REAL300010870994	0	44	-1.0	-59.92	340.72	5.56	-54.36
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010870995	0	46	-1.0	-46.78	380.55	2.39	-44.39
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010870996	0	39	-1.0	-45.71	305.35	5.48	-40.23
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010870997	0	38	-1.0	-49.70	330.22	2.37	-47.33
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010870998	0	31	-1.0	-39.58	287.68	5.09	-34.49
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=C(C)C=C(Br)S1	REAL300010870999	0	31	-1.0	-53.76	286.93	5.78	-47.98
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010871000	0	40	-1.0	-50.96	321.07	4.78	-46.18
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1F	REAL300010884693	0	39	-1.0	-46.87	307.92	4.56	-42.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010884694	0	39	-1.0	-65.30	335.01	5.99	-59.31
COC(=O)C1CCCCC1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884695	0	44	-1.0	-67.29	330.27	6.50	-60.79
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884696	0	47	-1.0	-53.51	360.63	6.09	-47.42
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884697	0	40	-1.0	-49.12	338.39	7.02	-42.10
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884698	0	40	-1.0	-43.03	317.26	6.42	-36.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010884699	0	37	-1.0	-49.78	323.07	5.30	-44.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010884700	0	29	-1.0	-42.36	267.36	3.48	-38.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300010884701	0	42	-1.0	-70.56	327.61	6.44	-64.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300010884702	0	44	-1.0	-64.55	322.03	7.04	-57.51
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884703	0	36	-1.0	-58.85	321.07	5.35	-53.50
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1C	REAL300010884704	0	42	-1.0	-66.91	352.51	6.49	-60.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010884705	0	45	-1.0	-73.42	383.76	6.66	-66.76
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C12	REAL300010884706	0	39	-1.0	-57.75	331.64	3.13	-54.62
CCC1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884707	0	34	-1.0	-47.51	292.93	3.22	-44.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010884708	0	44	-1.0	-60.84	351.34	6.83	-54.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010884709	0	32	-1.0	-65.52	281.38	6.02	-59.50
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(Cl)=N1	REAL300010884710	0	34	-1.0	-45.56	289.34	3.81	-41.75
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884711	0	37	-1.0	-45.19	312.19	5.03	-40.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010884712	0	39	-1.0	-48.62	328.32	6.22	-42.40
CSC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884713	0	36	-1.0	-57.51	325.52	6.90	-50.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884714	0	34	-1.0	-50.92	301.00	5.08	-45.84
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884715	0	42	-1.0	-72.59	353.52	2.09	-70.50
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN=C1Cl	REAL300010884716	0	35	-1.0	-53.49	311.29	3.39	-50.10
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300010884717	0	41	-1.0	-59.24	346.22	6.39	-52.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010884718	0	47	-1.0	-58.90	384.19	5.90	-53.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010884719	0	31	-1.0	-36.68	283.89	4.57	-32.11
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884720	0	50	0.0	-72.90	378.76	5.84	-67.06
CCC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884721	0	41	-1.0	-65.02	338.81	7.73	-57.29
CC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884722	0	38	-1.0	-66.48	322.65	7.00	-59.48
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884723	0	35	-1.0	-46.37	294.43	5.83	-40.54
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010884724	0	36	-1.0	-50.72	298.35	4.59	-46.13
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010884725	0	32	-1.0	-42.22	290.81	5.44	-36.78
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884726	0	40	-1.0	-69.81	321.27	5.85	-63.96
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300010884727	0	59	-1.0	-59.27	452.00	9.60	-49.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010884728	0	41	-1.0	-49.33	326.86	6.21	-43.12
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884729	0	35	-1.0	-54.95	279.35	5.48	-49.47
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884730	0	46	-1.0	-50.36	385.30	5.95	-44.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010884731	0	33	-1.0	-44.86	293.20	5.44	-39.42
CC1=NC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=CS1	REAL300010884732	0	34	-1.0	-65.56	302.96	4.01	-61.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010884733	0	35	-1.0	-53.04	306.90	3.66	-49.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010884734	0	38	-1.0	-58.11	334.78	8.25	-49.86
COC(=O)CCCCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884735	0	43	-1.0	-68.94	354.01	6.37	-62.57
CN1N=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CN=C21	REAL300010884736	0	37	-1.0	-57.56	314.70	4.57	-52.99
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884737	0	40	-1.0	-65.65	337.64	3.68	-61.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010884739	0	35	-1.0	-55.62	325.80	6.94	-48.68
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884740	0	43	-1.0	-55.86	348.30	3.53	-52.33
COC1=C(F)C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884741	0	38	-1.0	-52.47	333.79	6.26	-46.21
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884742	0	42	-1.0	-59.66	358.93	4.68	-54.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010884743	0	43	-1.0	-68.87	369.30	7.24	-61.63
COC1=CC=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884744	0	42	-1.0	-62.34	344.97	6.32	-56.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010884745	0	35	-1.0	-49.50	302.02	3.45	-46.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010884746	0	43	-1.0	-64.25	353.62	6.94	-57.31
CC1=CC=NC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C12	REAL300010884747	0	40	-1.0	-55.08	321.24	6.20	-48.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010884748	0	35	-1.0	-61.27	299.85	6.25	-55.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010884749	0	35	-1.0	-41.23	308.13	5.80	-35.43
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884750	0	35	-1.0	-57.91	313.05	6.72	-51.19
CSC1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884751	0	36	-1.0	-50.32	295.10	5.55	-44.77
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884752	0	43	-1.0	-56.32	340.65	4.65	-51.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010884753	0	44	-1.0	-52.30	349.23	3.82	-48.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010884754	0	40	-1.0	-56.89	339.62	6.69	-50.20
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884755	0	40	-1.0	-62.00	321.40	5.83	-56.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010884756	0	35	-1.0	-63.68	316.56	6.81	-56.87
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(OC)=C1	REAL300010884757	0	42	-1.0	-48.03	346.15	5.29	-42.74
COC(=O)C1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=CS1	REAL300010884758	0	38	-1.0	-47.76	312.61	5.58	-42.18
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1F	REAL300010884759	0	36	-1.0	-57.48	306.17	4.84	-52.64
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884760	0	43	-1.0	-52.75	350.91	5.05	-47.70
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884761	0	46	-1.0	-51.31	380.34	6.07	-45.24
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884762	0	41	-1.0	-48.64	309.91	6.30	-42.34
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010884763	0	46	-1.0	-49.14	378.30	8.21	-40.93
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884764	0	40	-1.0	-55.34	338.37	7.03	-48.31
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884765	0	44	0.0	-92.63	348.50	7.34	-85.29
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884766	0	40	-1.0	-62.97	322.58	5.85	-57.12
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300010884767	0	47	-1.0	-59.26	393.98	8.11	-51.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010884768	0	35	-1.0	-61.88	307.65	6.16	-55.72
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884769	0	44	-1.0	-58.21	351.95	6.83	-51.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010884770	0	32	-1.0	-39.87	294.56	5.60	-34.27
CC1=C(Cl)SC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884771	0	32	-1.0	-41.52	291.85	4.98	-36.54
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010884772	0	38	-1.0	-47.89	310.61	5.32	-42.57
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884773	0	36	-1.0	-45.67	298.85	4.10	-41.57
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010884774	0	40	-1.0	-57.20	316.21	7.88	-49.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010884775	0	38	-1.0	-63.10	331.65	7.23	-55.87
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010884776	0	42	-1.0	-44.01	344.37	7.30	-36.71
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884777	0	35	-1.0	-46.69	302.36	5.90	-40.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010884778	0	37	-1.0	-61.96	311.50	5.77	-56.19
CC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884779	0	38	-1.0	-64.91	323.04	7.03	-57.88
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884780	0	40	-1.0	-55.92	317.48	6.40	-49.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010884781	0	32	-1.0	-43.10	289.25	5.59	-37.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010884782	0	31	-1.0	-52.40	288.19	4.12	-48.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010884783	0	32	-1.0	-57.00	306.58	6.54	-50.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010884784	0	43	-1.0	-54.78	366.95	5.27	-49.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010884785	0	32	-1.0	-58.90	289.24	5.74	-53.16
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884786	0	42	-1.0	-52.62	322.76	6.61	-46.01
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884787	0	35	-1.0	-57.80	297.55	2.11	-55.69
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C#N	REAL300010884788	0	36	-1.0	-57.90	310.22	6.31	-51.59
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884789	0	38	-1.0	-61.29	329.73	6.14	-55.15
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884790	0	36	-1.0	-49.51	308.29	5.15	-44.36
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010884791	0	33	-1.0	-48.47	290.46	3.50	-44.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010884792	0	45	-1.0	-65.11	360.91	8.87	-56.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=NO1	REAL300010884793	0	43	-1.0	-68.60	354.27	6.31	-62.29
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C12	REAL300010884794	0	46	-1.0	-50.96	353.98	6.61	-44.35
COC1=CC=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884795	0	39	-1.0	-54.41	304.85	4.54	-49.87
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884796	0	37	-1.0	-60.61	317.48	4.23	-56.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010884797	0	33	-1.0	-55.05	310.79	6.32	-48.73
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010884798	0	34	-1.0	-43.62	313.09	6.10	-37.52
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884799	0	39	-1.0	-51.86	318.64	5.06	-46.80
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884800	0	38	-1.0	-57.94	349.76	6.33	-51.61
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300010884801	0	39	-1.0	-60.19	318.80	5.23	-54.96
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300010884802	0	40	-1.0	-47.67	331.19	4.28	-43.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010884803	0	36	-1.0	-59.70	315.90	5.10	-54.60
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010884804	0	35	-1.0	-53.53	314.78	6.52	-47.01
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300010884805	0	43	-1.0	-63.35	361.18	2.52	-60.83
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2S1	REAL300010884806	0	44	-1.0	-61.35	384.86	8.47	-52.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300010884807	0	36	-1.0	-69.62	312.60	6.59	-63.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010884808	0	38	-1.0	-49.52	311.97	4.03	-45.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010884809	0	37	-1.0	-62.74	327.22	1.05	-61.69
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884810	0	38	-1.0	-44.10	324.20	5.47	-38.63
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884811	0	40	-1.0	-55.91	335.42	6.33	-49.58
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(Br)=C1	REAL300010884812	0	36	-1.0	-45.12	303.81	4.42	-40.70
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-])OCO2	REAL300010884813	0	38	-1.0	-53.11	299.17	3.88	-49.23
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884814	0	38	-1.0	-44.10	313.42	6.01	-38.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010884815	0	32	-1.0	-41.73	289.29	5.58	-36.15
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884816	0	38	-1.0	-55.50	295.89	6.54	-48.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010884817	0	32	-1.0	-44.21	291.09	5.63	-38.58
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-])OCC(=O)N2	REAL300010884818	0	42	-1.0	-51.94	342.21	1.88	-50.06
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010884819	0	34	-1.0	-41.88	313.87	5.98	-35.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)S1	REAL300010884820	0	30	-1.0	-39.52	275.31	4.30	-35.22
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010884821	0	34	-1.0	-39.14	310.15	5.85	-33.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010884822	0	32	-1.0	-54.66	292.17	6.49	-48.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010884823	0	33	-1.0	-47.84	290.31	3.16	-44.68
COC1=CN=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884824	0	35	-1.0	-58.68	294.96	2.89	-55.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010884825	0	32	-1.0	-43.73	290.05	5.42	-38.31
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300010884826	0	42	-1.0	-60.44	352.48	6.18	-54.26
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010884827	0	32	-1.0	-41.68	291.20	5.65	-36.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010884828	0	35	-1.0	-63.61	313.05	6.83	-56.78
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884829	0	35	-1.0	-58.61	307.90	2.12	-56.49
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884829	1	34	-2.0	-111.09	304.51	1.00	-110.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010884830	0	35	-1.0	-63.53	317.61	6.94	-56.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010884831	0	36	-1.0	-62.92	321.56	2.72	-60.20
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884832	0	41	-1.0	-57.92	332.07	7.29	-50.63
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884833	0	40	-1.0	-50.38	314.83	2.58	-47.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010884834	0	36	-1.0	-62.67	326.12	2.82	-59.85
CCOC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884835	0	39	-1.0	-63.44	319.01	5.61	-57.83
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=C2O1	REAL300010884836	0	43	-1.0	-52.07	343.24	6.06	-46.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010884837	0	36	-1.0	-54.55	327.10	6.64	-47.91
CC1=CC=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884838	0	41	-1.0	-63.00	338.84	7.75	-55.25
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884839	0	39	-1.0	-64.96	342.65	6.18	-58.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010884840	0	35	-1.0	-47.75	292.20	3.47	-44.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010884841	0	33	-1.0	-42.28	296.43	5.32	-36.96
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010884842	0	33	-1.0	-43.12	298.08	5.44	-37.68
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884843	0	38	-1.0	-45.59	311.92	6.22	-39.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010884844	0	38	-1.0	-55.87	320.63	6.03	-49.84
COCCOCCOCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884845	0	46	-1.0	-62.54	378.69	2.84	-59.70
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884846	0	42	-1.0	-63.57	352.26	2.17	-61.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010884847	0	32	-1.0	-63.66	287.21	6.11	-57.55
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2CC1	REAL300010884848	0	49	-1.0	-67.28	382.02	7.34	-59.94
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010884849	0	41	-1.0	-56.49	355.20	6.89	-49.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1OC	REAL300010884850	0	42	-1.0	-51.40	360.46	6.39	-45.01
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884851	0	41	-1.0	-47.46	336.83	7.27	-40.19
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884852	0	41	-1.0	-47.09	332.66	6.98	-40.11
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884853	0	42	-1.0	-68.53	352.70	4.59	-63.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010884854	0	32	-1.0	-44.90	286.12	5.31	-39.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010884855	0	45	-1.0	-65.69	370.99	7.08	-58.61
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010884856	0	41	-1.0	-43.95	358.58	6.76	-37.19
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010884857	0	34	-1.0	-61.35	309.47	6.85	-54.50
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010884858	0	41	-1.0	-72.74	331.35	2.70	-70.04
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884859	0	40	-1.0	-61.26	330.73	6.43	-54.83
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1OC	REAL300010884860	0	43	-1.0	-55.69	362.09	4.55	-51.14
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(F)C=C1C	REAL300010884861	0	44	-1.0	-47.12	362.11	6.91	-40.21
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884862	0	46	-1.0	-66.57	381.85	3.62	-62.95
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884863	0	43	-1.0	-52.18	346.65	4.37	-47.81
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884864	0	45	-1.0	-57.29	368.08	6.24	-51.05
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C	REAL300010884865	0	44	-1.0	-58.64	363.02	7.55	-51.09
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010884866	0	35	-1.0	-48.79	298.28	6.01	-42.78
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884867	0	44	-1.0	-67.87	369.15	7.78	-60.09
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884868	0	38	-1.0	-55.63	333.19	7.64	-47.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010884869	0	35	-1.0	-47.28	308.23	6.58	-40.70
CC(COC1CCCC1)CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884870	0	48	-1.0	-64.84	374.12	6.87	-57.97
CC1=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])SC=N1	REAL300010884871	0	37	-1.0	-62.48	320.94	4.79	-57.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010884872	0	38	-1.0	-60.73	332.20	7.53	-53.20
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884873	0	41	-1.0	-51.63	345.98	6.37	-45.26
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010884874	0	42	-1.0	-64.98	344.52	8.85	-56.13
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884875	0	46	-1.0	-61.68	389.81	3.24	-58.44
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010884876	0	35	-1.0	-64.59	313.40	6.87	-57.72
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1C	REAL300010884877	0	44	-1.0	-64.84	371.48	6.67	-58.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010884878	0	38	-1.0	-68.83	340.82	3.36	-65.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010884879	0	36	-1.0	-64.83	315.67	6.22	-58.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010884880	0	35	-1.0	-59.66	302.85	6.31	-53.35
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884881	0	34	-1.0	-44.54	285.25	3.82	-40.72
CC1=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(Br)N1C	REAL300010884882	0	35	-1.0	-67.34	312.07	4.89	-62.45
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010884883	0	33	-1.0	-56.26	290.92	4.23	-52.03
COC(=O)C(C)(C)CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884884	0	40	-1.0	-58.27	319.12	5.42	-52.85
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884885	0	45	-1.0	-68.73	362.47	6.26	-62.47
CCOC(=O)CC1(S(=O)(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300010884886	0	41	-1.0	-75.24	328.24	6.46	-68.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010884887	0	33	-1.0	-40.09	309.92	5.70	-34.39
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884888	0	43	-1.0	-53.71	361.66	4.17	-49.54
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010884889	0	47	-1.0	-58.77	383.49	8.27	-50.50
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884890	0	44	-1.0	-63.65	373.78	4.66	-58.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010884891	0	37	-1.0	-59.68	316.68	2.63	-57.05
COC(=O)C1(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])CCCC1	REAL300010884892	0	44	-1.0	-69.56	341.81	7.27	-62.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010884893	0	31	-1.0	-52.54	301.76	4.62	-47.92
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884894	0	39	-1.0	-58.28	342.14	5.67	-52.61
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010884895	0	38	-1.0	-56.56	324.75	6.94	-49.62
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010884896	0	43	-1.0	-58.35	377.30	8.87	-49.48
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884897	0	41	-1.0	-67.31	344.62	6.82	-60.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010884898	0	34	-1.0	-51.50	296.17	4.32	-47.18
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010884899	0	42	-1.0	-65.47	317.06	7.04	-58.43
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010884900	0	38	-1.0	-62.57	333.63	7.52	-55.05
COC(=O)C1(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])CCC1	REAL300010884901	0	41	-1.0	-66.34	330.76	6.37	-59.97
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010884902	0	32	-1.0	-39.55	295.43	4.94	-34.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010884903	0	36	-1.0	-62.76	321.00	6.61	-56.15
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884904	0	45	-1.0	-61.34	380.16	5.80	-55.54
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884905	0	48	-1.0	-60.89	402.04	6.73	-54.16
COC(=O)C1(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])CCCCC1	REAL300010884906	0	47	-1.0	-69.44	349.89	7.88	-61.56
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN=C1C	REAL300010884907	0	40	-1.0	-55.72	336.19	4.78	-50.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010884908	0	36	-1.0	-42.67	315.19	4.61	-38.06
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884909	0	41	-1.0	-57.56	363.69	7.52	-50.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010884910	0	33	-1.0	-55.50	297.00	5.86	-49.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCOCC1	REAL300010884911	0	42	-1.0	-64.62	329.34	4.86	-59.76
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010884912	0	48	-1.0	-70.95	405.26	7.44	-63.51
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])S1	REAL300010884913	0	35	-1.0	-62.89	302.76	5.89	-57.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010884914	0	34	-1.0	-40.49	308.23	4.28	-36.21
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010884915	0	45	-1.0	-65.56	330.08	7.58	-57.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010884916	0	41	-1.0	-63.42	335.31	7.03	-56.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010884917	0	33	-1.0	-41.23	299.05	4.12	-37.11
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010884918	0	38	-1.0	-66.44	328.10	7.16	-59.28
CN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010884919	0	35	-1.0	-44.89	295.43	3.28	-41.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010884920	0	34	-1.0	-46.62	306.13	6.94	-39.68
COC(=O)C1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C(F)C=C1C	REAL300010884921	0	41	-1.0	-46.90	340.23	5.99	-40.91
CC1=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010884922	0	40	-1.0	-57.53	346.72	6.82	-50.71
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010884923	0	41	-1.0	-53.35	315.90	6.15	-47.20
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010884924	0	42	-1.0	-60.29	349.49	6.30	-53.99
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(C)C)=C1	REAL300010884925	0	59	-1.0	-45.53	418.08	10.48	-35.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010884926	0	37	-1.0	-50.77	317.90	6.10	-44.67
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884927	0	44	-1.0	-65.76	372.90	7.90	-57.86
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884928	0	37	-1.0	-55.97	306.23	4.57	-51.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884929	0	39	-1.0	-58.68	338.55	5.73	-52.95
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010884930	0	39	-1.0	-59.92	316.82	7.50	-52.42
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])CCC2=C1	REAL300010884931	0	44	-1.0	-48.25	348.96	6.50	-41.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010884932	0	40	-1.0	-59.84	331.28	6.42	-53.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010884933	0	35	-1.0	-46.57	299.09	5.22	-41.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010884934	0	35	-1.0	-60.84	320.73	7.44	-53.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010884935	0	35	-1.0	-63.49	320.98	6.91	-56.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010884936	0	41	-1.0	-76.01	357.01	3.84	-72.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010884937	0	35	-1.0	-51.58	293.91	5.15	-46.43
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300010884938	0	44	-1.0	-63.53	338.20	7.25	-56.28
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2C=C1	REAL300010884939	0	41	-1.0	-61.06	334.88	8.31	-52.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010884940	0	29	-1.0	-63.76	279.33	5.00	-58.76
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884941	0	41	-1.0	-52.24	342.06	6.30	-45.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010884942	0	47	-1.0	-69.22	392.26	6.00	-63.22
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300010884943	0	45	-1.0	-68.39	366.92	5.80	-62.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010884944	0	35	-1.0	-64.85	315.50	6.80	-58.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010884945	0	38	-1.0	-50.12	314.15	7.01	-43.11
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(CC)=C1	REAL300010884946	0	50	-1.0	-44.23	354.40	8.91	-35.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010884947	0	37	-1.0	-61.08	306.10	5.26	-55.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010884948	0	39	-1.0	-68.71	326.31	5.18	-63.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010884949	0	34	-1.0	-56.18	315.70	5.31	-50.87
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884950	0	40	-1.0	-51.45	337.03	4.51	-46.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010884951	0	40	-1.0	-57.53	341.50	3.98	-53.55
CC(C)(CCS(=O)(=O)N1CCCC1(C)C(=O)[O-])S(C)(=O)=O	REAL300010884952	0	43	-1.0	-69.51	343.45	2.64	-66.87
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Cl	REAL300010884953	0	36	-1.0	-57.23	315.98	5.33	-51.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010884954	0	35	-1.0	-45.84	301.14	2.31	-43.53
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884955	0	45	-1.0	-52.69	362.44	5.76	-46.93
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010884956	0	37	-1.0	-51.59	301.71	4.68	-46.91
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010884957	0	41	-1.0	-50.44	330.58	7.56	-42.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010884958	0	36	-1.0	-49.69	307.69	4.99	-44.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010884959	0	36	-1.0	-48.84	318.02	5.43	-43.41
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300010884960	0	41	-1.0	-63.64	352.73	6.92	-56.72
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884961	0	45	-1.0	-67.08	361.65	7.41	-59.67
COC(CC(C)C)CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884962	0	44	-1.0	-65.64	340.52	5.69	-59.95
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884963	0	36	-1.0	-50.76	297.97	4.71	-46.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010884964	0	35	-1.0	-60.88	331.11	7.39	-53.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1CCOC1	REAL300010884965	0	42	-1.0	-65.13	332.96	4.84	-60.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010884966	0	35	-1.0	-61.95	329.90	7.39	-54.56
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010884967	0	35	-1.0	-53.85	309.86	4.52	-49.33
CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010884968	0	40	-1.0	-65.25	332.99	7.26	-57.99
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884969	0	48	-1.0	-52.35	367.65	6.96	-45.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010884970	0	39	-1.0	-68.76	338.17	7.47	-61.29
COC1=NC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300010884971	0	35	-1.0	-54.37	313.63	2.65	-51.72
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300010884972	0	41	-1.0	-43.90	346.06	6.39	-37.51
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884973	0	41	-1.0	-57.82	363.81	7.07	-50.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010884974	0	35	-1.0	-63.62	312.96	6.83	-56.79
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Cl	REAL300010884975	0	35	-1.0	-57.53	305.80	6.52	-51.01
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010884976	0	38	-1.0	-71.69	318.42	6.41	-65.28
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=N1	REAL300010884977	0	41	-1.0	-59.63	356.59	6.91	-52.72
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1F	REAL300010884978	0	38	-1.0	-44.80	339.11	5.91	-38.89
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010884979	0	41	-1.0	-52.36	344.48	6.09	-46.27
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884980	0	38	-1.0	-62.10	327.86	7.33	-54.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010884981	0	45	-1.0	-62.97	348.89	5.58	-57.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010884982	0	47	-1.0	-57.94	385.03	3.22	-54.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010884983	0	40	-1.0	-51.89	315.22	6.04	-45.85
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010884984	0	39	-1.0	-68.76	335.45	3.29	-65.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010884985	0	32	-1.0	-57.34	293.05	6.03	-51.31
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])SC(Br)=C1	REAL300010884986	0	32	-1.0	-57.98	304.28	5.88	-52.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010884987	0	41	-1.0	-50.58	325.12	5.19	-45.39
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884988	0	42	-1.0	-46.66	336.65	3.74	-42.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010884989	0	38	-1.0	-61.20	321.88	7.09	-54.11
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010884990	0	38	-1.0	-63.60	322.99	7.11	-56.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010884991	0	38	-1.0	-62.77	330.11	7.44	-55.33
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300010884992	0	36	-1.0	-46.22	318.55	5.31	-40.91
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-])C(=O)NCCC2	REAL300010884993	0	47	-1.0	-59.51	367.59	3.72	-55.79
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])S2)C1	REAL300010884994	0	43	-1.0	-45.39	354.12	5.27	-40.12
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010884995	0	39	-1.0	-46.74	340.93	7.38	-39.36
COC(CS(=O)(=O)N1CCCC1(C)C(=O)[O-])C1CCOC1	REAL300010884996	0	43	-1.0	-62.34	334.73	3.05	-59.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010884997	0	35	-1.0	-62.27	319.57	6.95	-55.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010884998	0	35	-1.0	-62.74	316.21	6.84	-55.90
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010884999	0	32	-1.0	-55.39	308.36	6.56	-48.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300010885000	0	39	-1.0	-66.22	323.51	2.83	-63.39
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300010887202	0	36	-1.0	-50.90	312.37	3.68	-47.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010887203	0	36	-1.0	-54.51	327.03	3.97	-50.54
COC(=O)C1CCCCC1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887204	0	41	-1.0	-56.67	328.80	4.91	-51.76
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887205	0	44	-1.0	-50.78	350.19	4.27	-46.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887206	0	37	-1.0	-51.75	335.45	5.62	-46.13
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887207	0	36	-1.0	-56.52	319.00	2.31	-54.21
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887208	0	37	-1.0	-50.57	321.61	5.52	-45.05
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300010887209	0	34	-1.0	-49.12	310.48	3.88	-45.24
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010887210	0	29	-1.0	-48.39	290.47	4.53	-43.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010887211	0	31	-1.0	-58.15	280.59	4.92	-53.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887212	0	26	-1.0	-47.51	267.54	2.19	-45.32
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887212	1	25	-2.0	-104.87	264.99	1.87	-103.00
N#CC1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010887213	0	39	-1.0	-55.20	318.23	4.36	-50.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010887214	0	31	-1.0	-53.69	290.95	4.09	-49.60
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887215	0	33	-1.0	-48.41	313.98	3.38	-45.03
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300010887216	0	39	-1.0	-55.24	346.22	4.49	-50.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010887217	0	42	-1.0	-58.66	374.83	4.56	-54.10
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300010887218	0	36	-1.0	-52.97	324.41	1.17	-51.80
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010887219	0	41	-1.0	-52.36	347.54	4.89	-47.47
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010887220	0	29	-1.0	-51.95	277.01	4.17	-47.78
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010887220	1	28	-2.0	-114.99	276.35	3.96	-111.03
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Cl)=N1	REAL300010887221	0	31	-1.0	-51.69	293.05	2.81	-48.88
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887222	0	34	-1.0	-51.74	312.61	3.64	-48.10
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010887223	0	36	-1.0	-51.57	319.76	5.23	-46.34
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887224	0	33	-1.0	-49.04	318.37	4.94	-44.10
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887225	0	31	-1.0	-49.85	301.30	3.79	-46.06
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887226	0	39	-1.0	-58.41	345.64	0.05	-58.36
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010887227	0	32	-1.0	-49.28	304.01	1.43	-47.85
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887228	0	38	-1.0	-54.79	338.60	4.38	-50.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010887229	0	44	-1.0	-51.48	376.89	3.91	-47.57
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010887230	0	28	-1.0	-51.45	284.36	3.21	-48.24
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887231	0	47	0.0	-80.44	377.09	4.58	-75.86
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887232	0	35	-1.0	-52.12	313.71	4.89	-47.23
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887233	0	32	-1.0	-47.82	299.20	4.95	-42.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300010887234	0	33	-1.0	-57.22	301.68	3.53	-53.69
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010887235	0	29	-1.0	-47.35	282.44	3.85	-43.50
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887236	0	37	-1.0	-53.91	315.62	4.00	-49.91
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300010887237	0	56	-1.0	-49.66	448.69	8.02	-41.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010887238	0	38	-1.0	-50.73	324.32	4.91	-45.82
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887239	0	43	-1.0	-52.14	384.96	4.51	-47.63
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887240	0	30	-1.0	-50.10	296.80	4.43	-45.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010887241	0	32	-1.0	-55.73	307.21	2.53	-53.20
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300010887242	0	44	-1.0	-54.09	361.92	3.84	-50.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010887243	0	35	-1.0	-49.89	329.82	6.30	-43.59
COC(=O)CCCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887244	0	40	-1.0	-54.98	347.03	4.32	-50.66
CN1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CN=C21	REAL300010887245	0	34	-1.0	-52.58	307.14	2.54	-50.04
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887246	0	31	-2.0	-101.32	324.89	3.66	-97.66
COC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887246	1	32	-1.0	-48.34	327.47	3.96	-44.38
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887247	0	37	-1.0	-53.11	330.34	1.68	-51.43
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010887249	0	32	-1.0	-47.64	318.52	4.95	-42.69
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887250	0	40	-1.0	-54.47	343.38	2.62	-51.85
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887251	0	34	-1.0	-48.13	322.28	5.47	-42.66
COC1=C(F)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887252	0	35	-1.0	-49.78	326.16	4.24	-45.54
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887253	0	39	-1.0	-51.34	352.45	2.67	-48.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010887254	0	40	-1.0	-60.32	361.57	5.24	-55.08
COC1=CC=C(CCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887255	0	39	-1.0	-52.02	337.99	4.27	-47.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300010887256	0	44	-1.0	-50.24	386.10	4.83	-45.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010887257	0	32	-1.0	-52.96	302.33	2.29	-50.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010887258	0	40	-1.0	-54.88	343.76	4.77	-50.11
CC1=CC=NC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010887259	0	37	-1.0	-56.81	321.18	4.62	-52.19
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(OC)C=C1Br	REAL300010887260	0	37	-1.0	-49.32	341.37	3.20	-46.12
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010887261	0	32	-1.0	-51.63	294.83	4.30	-47.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010887262	0	32	-1.0	-47.58	299.89	4.22	-43.36
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887263	0	32	-1.0	-47.66	305.88	4.75	-42.91
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887264	0	33	-1.0	-51.02	299.26	4.55	-46.47
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887265	0	36	-1.0	-52.98	336.71	3.08	-49.90
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887266	0	40	-1.0	-59.28	344.07	3.42	-55.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010887267	0	41	-1.0	-54.86	354.62	3.44	-51.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300010887268	0	35	-1.0	-50.92	343.64	1.58	-49.34
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010887269	0	37	-1.0	-51.27	332.23	4.70	-46.57
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887270	0	39	-1.0	-51.34	352.45	2.67	-48.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010887271	0	32	-1.0	-51.35	309.59	4.75	-46.60
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300010887272	0	39	-1.0	-52.40	346.55	3.91	-48.49
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=CS1	REAL300010887273	0	35	-1.0	-54.36	318.17	4.70	-49.66
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010887274	0	33	-1.0	-50.15	298.38	2.80	-47.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887275	0	40	-1.0	-54.16	353.43	3.52	-50.64
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887276	0	43	-1.0	-51.12	380.34	4.71	-46.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010887277	0	43	-1.0	-49.18	366.91	6.79	-42.39
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887278	0	37	-1.0	-51.95	335.52	5.63	-46.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010887279	0	29	-1.0	-46.67	304.52	4.58	-42.09
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010887279	1	28	-2.0	-103.51	302.20	4.28	-99.23
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887280	0	41	0.0	-80.37	341.03	5.34	-75.03
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010887281	0	44	-1.0	-51.48	386.40	6.09	-45.39
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887282	0	41	-1.0	-50.83	355.26	5.86	-44.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010887283	0	29	-1.0	-49.25	298.38	4.59	-44.66
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010887283	1	28	-2.0	-101.46	295.39	4.27	-97.19
CC1=C(Cl)SC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887284	0	29	-1.0	-47.62	292.23	3.67	-43.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010887285	0	35	-1.0	-51.47	308.91	3.95	-47.52
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887286	0	33	-1.0	-49.08	290.63	2.52	-46.56
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010887287	0	37	-1.0	-54.09	320.04	6.69	-47.40
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010887288	0	35	-1.0	-49.97	324.18	5.26	-44.71
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010887289	0	39	-1.0	-46.96	349.24	6.41	-40.55
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887290	0	32	-1.0	-45.93	305.67	4.94	-40.99
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010887291	0	34	-1.0	-52.30	303.96	3.78	-48.52
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887292	0	35	-1.0	-52.92	313.72	4.89	-48.03
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887293	0	37	-1.0	-49.69	322.03	5.53	-44.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010887294	0	29	-1.0	-50.68	294.51	4.63	-46.05
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887295	0	31	-1.0	-49.60	307.58	5.59	-44.01
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887295	1	30	-2.0	-104.28	305.80	5.37	-98.91
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010887296	0	39	-1.0	-46.96	349.24	6.41	-40.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010887297	0	28	-1.0	-48.13	280.44	2.10	-46.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010887298	0	29	-1.0	-48.62	298.85	4.51	-44.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010887299	0	40	-1.0	-52.35	359.73	3.28	-49.07
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010887300	0	28	-2.0	-106.98	281.34	3.56	-103.42
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887301	0	39	-1.0	-51.88	326.68	5.23	-46.65
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887302	0	35	-1.0	-52.77	322.45	4.15	-48.62
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887303	0	33	-1.0	-49.63	307.95	3.72	-45.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010887304	0	30	-1.0	-51.36	290.77	2.22	-49.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010887305	0	42	-1.0	-51.63	351.87	6.75	-44.88
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=NO1	REAL300010887306	0	40	-1.0	-54.94	344.56	4.15	-50.79
O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010887307	0	46	-1.0	-48.28	358.53	9.65	-38.63
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010887308	0	43	-1.0	-50.80	357.62	5.66	-45.14
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887309	0	34	-1.0	-51.99	312.70	2.27	-49.72
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887310	0	30	-1.0	-50.75	303.16	4.31	-46.44
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010887311	0	31	-1.0	-46.25	316.94	5.09	-41.16
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010887311	1	30	-2.0	-99.77	314.03	4.76	-95.01
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887312	0	36	-1.0	-49.96	324.15	4.08	-45.88
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887313	0	35	-1.0	-46.71	332.78	3.99	-42.72
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010887314	0	37	-1.0	-49.83	334.67	3.24	-46.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010887315	0	33	-1.0	-50.88	308.61	3.11	-47.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010887316	0	32	-1.0	-47.92	307.46	4.53	-43.39
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887317	0	40	-1.0	-52.30	354.54	0.55	-51.75
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2S1	REAL300010887318	0	41	-1.0	-50.94	377.79	6.50	-44.44
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010887319	0	35	-1.0	-55.68	316.21	2.75	-52.93
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887320	0	34	-1.0	-58.69	319.56	-0.97	-59.66
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887321	0	35	-1.0	-49.07	315.87	3.88	-45.19
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887322	0	37	-1.0	-56.11	339.69	5.31	-50.80
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010887323	0	33	-1.0	-49.79	309.14	3.51	-46.28
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)OCO2	REAL300010887324	0	35	-1.0	-50.29	303.88	2.99	-47.30
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300010887325	0	35	-1.0	-48.65	330.15	4.60	-44.05
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887326	0	35	-1.0	-53.91	313.77	4.56	-49.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010887327	0	29	-1.0	-48.33	293.42	4.52	-43.81
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887328	0	35	-1.0	-47.19	295.08	5.04	-42.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010887329	0	29	-1.0	-48.46	296.43	4.71	-43.75
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)OCC(=O)N2	REAL300010887330	0	39	-1.0	-53.86	342.57	0.47	-53.39
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010887331	0	30	-2.0	-101.46	310.17	4.38	-97.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010887331	1	31	-1.0	-46.12	305.50	4.39	-41.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010887332	0	31	-1.0	-47.44	309.07	4.55	-42.89
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010887332	1	30	-2.0	-97.90	306.73	4.25	-93.65
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010887333	0	29	-1.0	-46.56	288.44	4.67	-41.89
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010887333	1	28	-2.0	-102.03	290.63	4.54	-97.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010887334	0	30	-1.0	-54.71	287.64	1.76	-52.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010887335	0	29	-1.0	-51.70	288.98	4.12	-47.58
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010887336	0	39	-1.0	-53.19	344.71	4.12	-49.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010887337	0	29	-1.0	-47.34	296.40	4.71	-42.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010887338	0	32	-1.0	-51.02	303.71	4.69	-46.33
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887339	0	32	-1.0	-56.89	308.12	0.95	-55.94
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887339	1	31	-2.0	-91.63	304.92	-0.19	-91.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010887340	0	32	-1.0	-50.85	308.27	4.79	-46.06
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887341	0	33	-1.0	-54.78	313.92	0.70	-54.08
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887342	0	38	-1.0	-56.20	329.11	5.88	-50.32
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887343	0	37	-1.0	-54.71	322.05	1.81	-52.90
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887344	0	33	-1.0	-53.60	318.98	0.85	-52.75
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2O1	REAL300010887345	0	40	-1.0	-54.15	340.99	4.66	-49.49
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010887346	0	33	-1.0	-51.58	319.36	4.60	-46.98
COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887347	0	38	-1.0	-55.66	332.56	2.25	-53.41
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887348	0	36	-1.0	-53.25	332.54	4.00	-49.25
N#CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887349	0	30	-1.0	-56.00	301.05	4.25	-51.75
N#CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887350	0	30	-1.0	-53.05	302.62	4.37	-48.68
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887351	0	35	-1.0	-48.04	316.65	5.33	-42.71
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887352	0	46	-1.0	-55.09	399.51	3.13	-51.96
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010887353	0	35	-1.0	-53.19	324.42	5.03	-48.16
COCCOCCOCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887354	0	43	-1.0	-55.40	371.15	0.73	-54.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887355	0	39	-1.0	-59.91	352.24	0.74	-59.17
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010887356	0	28	-2.0	-111.95	282.98	4.00	-107.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010887356	1	29	-1.0	-49.14	284.36	4.28	-44.86
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2CC1	REAL300010887357	0	46	-1.0	-55.93	376.40	5.43	-50.50
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010887358	0	38	-1.0	-52.79	348.09	4.92	-47.87
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300010887359	0	39	-1.0	-50.78	356.96	5.09	-45.69
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887360	0	38	-1.0	-49.18	340.38	6.24	-42.94
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887361	0	38	-1.0	-49.73	336.94	5.95	-43.78
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887362	0	39	-1.0	-57.03	343.46	2.46	-54.57
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887363	0	43	-1.0	-56.54	379.67	4.31	-52.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010887364	0	29	-1.0	-48.81	285.14	4.02	-44.79
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010887364	1	28	-2.0	-109.36	282.48	3.72	-105.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010887365	0	42	-1.0	-52.66	363.99	5.02	-47.64
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010887366	0	38	-1.0	-47.67	350.18	5.18	-42.49
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010887366	1	37	-2.0	-104.41	355.24	5.19	-99.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010887367	0	31	-1.0	-50.54	306.08	5.13	-45.41
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010887367	1	30	-2.0	-104.31	308.15	4.99	-99.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010887368	0	38	-1.0	-58.55	324.36	0.64	-57.91
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887369	0	36	-2.0	-108.35	327.95	4.64	-103.71
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300010887370	0	40	-1.0	-54.47	358.95	3.28	-51.19
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010887371	0	41	-1.0	-48.65	353.68	5.33	-43.32
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887372	0	43	-1.0	-58.32	374.72	1.65	-56.67
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887373	0	40	-1.0	-52.00	346.55	2.95	-49.05
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887374	0	42	-1.0	-55.22	368.10	4.79	-50.43
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300010887375	0	41	-1.0	-50.66	355.81	5.58	-45.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300010887376	0	32	-1.0	-50.27	299.88	4.80	-45.47
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887377	0	41	-1.0	-54.99	361.48	5.78	-49.21
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887378	0	35	-1.0	-50.19	339.29	6.00	-44.19
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887378	1	34	-2.0	-112.44	334.02	5.88	-106.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010887379	0	32	-1.0	-49.80	304.85	5.52	-44.28
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887380	0	45	-1.0	-50.00	363.77	4.85	-45.15
CC1=C(CCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)SC=N1	REAL300010887381	0	34	-1.0	-51.66	312.45	2.71	-48.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010887382	0	35	-1.0	-53.09	324.59	5.43	-47.66
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887383	0	38	-1.0	-51.67	345.03	5.08	-46.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010887384	0	39	-1.0	-51.90	336.87	6.84	-45.06
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887385	0	43	-1.0	-54.36	381.89	1.22	-53.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010887386	0	32	-1.0	-52.64	303.03	4.69	-47.95
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300010887387	0	41	-1.0	-54.60	365.29	4.65	-49.95
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010887388	0	35	-1.0	-53.05	333.69	1.39	-51.66
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010887389	0	33	-1.0	-51.72	308.16	4.32	-47.40
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010887390	0	32	-1.0	-51.70	296.83	4.36	-47.34
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887391	0	31	-1.0	-48.24	290.04	2.96	-45.28
CC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010887392	0	32	-1.0	-53.95	300.71	2.77	-51.18
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010887392	1	31	-2.0	-119.67	302.34	2.53	-117.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010887393	0	30	-1.0	-49.57	286.58	2.32	-47.25
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887394	0	42	-1.0	-59.25	356.02	4.31	-54.94
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010887395	0	32	-2.0	-94.87	308.21	3.00	-91.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010887395	1	33	-1.0	-48.79	312.04	2.15	-46.64
CCOC(=O)CC1(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887396	0	38	-1.0	-55.96	315.82	4.61	-51.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010887397	0	46	-1.0	-57.90	408.12	3.87	-54.03
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887398	0	30	-1.0	-48.86	309.22	4.40	-44.46
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887398	1	29	-2.0	-100.43	306.24	4.11	-96.32
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887399	0	40	-1.0	-54.30	361.82	2.71	-51.59
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010887400	0	44	-1.0	-50.83	376.06	6.29	-44.54
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887401	0	41	-1.0	-56.40	366.34	2.64	-53.76
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887402	0	40	-1.0	-49.56	384.12	4.19	-45.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C1	REAL300010887403	0	34	-1.0	-51.84	309.59	0.67	-51.17
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1	REAL300010887404	0	41	-1.0	-57.24	336.73	4.51	-52.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C1	REAL300010887405	0	28	-1.0	-47.79	294.03	2.59	-45.20
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887406	0	36	-1.0	-49.77	334.51	3.65	-46.12
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010887407	0	35	-1.0	-48.57	317.07	4.94	-43.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300010887408	0	40	-1.0	-48.85	370.29	6.89	-41.96
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887409	0	38	-1.0	-53.61	340.14	4.89	-48.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300010887410	0	31	-1.0	-55.21	294.44	2.85	-52.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300010887411	0	35	-1.0	-52.35	324.10	5.35	-47.00
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	REAL300010887412	0	38	-1.0	-55.25	325.67	3.84	-51.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300010887413	0	29	-1.0	-47.93	295.83	3.63	-44.30
N#CC1=CC(F)=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887414	0	33	-1.0	-56.85	311.23	4.42	-52.43
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1I	REAL300010887415	0	32	-1.0	-48.00	308.51	5.10	-42.90
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887416	0	42	-1.0	-53.49	373.01	3.82	-49.67
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887417	0	45	-1.0	-53.30	394.88	4.75	-48.55
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010887418	0	44	-1.0	-55.73	348.52	4.90	-50.83
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1C	REAL300010887419	0	37	-1.0	-49.16	329.42	2.81	-46.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010887420	0	33	-1.0	-51.83	314.17	3.32	-48.51
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887421	0	38	-1.0	-49.07	356.53	5.55	-43.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010887422	0	45	-1.0	-60.07	395.65	5.28	-54.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010887423	0	31	-1.0	-50.44	311.99	3.28	-47.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010887424	0	42	-1.0	-49.16	320.64	5.49	-43.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010887425	0	38	-1.0	-52.33	328.03	5.05	-47.28
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010887426	0	30	-1.0	-51.83	288.90	2.82	-49.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010887427	0	35	-1.0	-53.16	321.15	5.11	-48.05
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010887428	0	32	-1.0	-54.58	302.15	2.37	-52.21
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010887428	1	31	-2.0	-111.03	299.23	2.00	-109.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887429	0	31	-1.0	-49.86	303.18	5.50	-44.36
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010887429	1	30	-2.0	-104.13	301.36	5.29	-98.84
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010887430	0	38	-1.0	-49.72	338.94	4.72	-45.00
CC1=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010887431	0	37	-1.0	-51.55	339.08	4.80	-46.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010887432	0	38	-1.0	-49.93	316.28	4.61	-45.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010887433	0	39	-1.0	-53.04	341.92	4.18	-48.86
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300010887434	0	56	-1.0	-48.01	420.68	9.22	-38.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010887435	0	34	-1.0	-53.45	317.82	4.49	-48.96
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887436	0	41	-1.0	-56.22	363.12	5.73	-50.49
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887437	0	34	-1.0	-56.28	303.24	3.16	-53.12
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887438	0	36	-1.0	-49.46	330.94	3.73	-45.73
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300010887439	0	41	-1.0	-50.19	347.12	5.17	-45.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010887440	0	37	-1.0	-49.49	323.68	4.43	-45.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010887441	0	32	-1.0	-49.05	299.33	3.91	-45.14
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010887441	1	31	-2.0	-107.14	296.79	3.63	-103.51
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010887442	0	32	-1.0	-49.08	310.96	5.05	-44.03
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010887442	1	31	-2.0	-112.63	315.24	5.07	-107.56
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887443	0	43	-1.0	-53.50	381.33	1.52	-51.98
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887443	1	42	-2.0	-98.72	374.39	1.71	-97.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010887444	0	32	-1.0	-51.30	314.00	4.85	-46.45
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887445	0	38	-1.0	-63.91	347.11	1.65	-62.26
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010887446	0	38	-1.0	-51.06	329.92	6.35	-44.71
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887447	0	38	-1.0	-50.20	346.49	5.42	-44.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010887448	0	44	-1.0	-57.64	384.79	4.02	-53.62
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887449	0	42	-1.0	-54.49	359.64	3.82	-50.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010887450	0	32	-1.0	-53.63	305.30	4.61	-49.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010887451	0	35	-1.0	-52.90	313.77	5.75	-47.15
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(CC)=C1	REAL300010887452	0	47	-1.0	-48.03	362.78	8.11	-39.92
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300010887453	0	48	-1.0	-52.50	404.67	4.23	-48.27
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010887454	0	36	-1.0	-55.24	318.64	3.18	-52.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010887455	0	31	-1.0	-49.61	311.34	3.38	-46.23
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887456	0	37	-1.0	-50.50	336.62	3.11	-47.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010887457	0	37	-1.0	-52.47	334.31	2.02	-50.45
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887458	0	34	-1.0	-55.58	317.36	-1.58	-57.16
CC(C)(CCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300010887459	0	40	-1.0	-62.02	335.90	0.54	-61.48
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010887460	0	33	-1.0	-49.57	308.18	3.28	-46.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=C3NC(=O)OC3=C2)C1	REAL300010887461	0	32	-1.0	-51.07	300.13	1.01	-50.06
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887462	0	42	-1.0	-52.64	359.60	4.62	-48.02
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010887463	0	38	-1.0	-49.66	328.05	6.33	-43.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010887464	0	33	-1.0	-49.08	307.71	3.54	-45.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010887465	0	33	-1.0	-49.94	318.36	4.00	-45.94
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887466	0	38	-1.0	-53.85	345.58	4.95	-48.90
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887467	0	42	-1.0	-52.11	352.53	4.86	-47.25
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887468	0	33	-1.0	-49.75	297.90	3.28	-46.47
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010887469	0	32	-1.0	-50.05	321.86	5.23	-44.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010887470	0	32	-1.0	-51.23	319.80	5.21	-46.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010887471	0	32	-1.0	-49.44	302.75	2.56	-46.88
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887472	0	37	-1.0	-53.47	325.14	5.27	-48.20
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887473	0	45	-1.0	-51.79	368.05	5.54	-46.25
CN1C=C(Br)C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300010887474	0	36	-1.0	-52.15	338.07	5.79	-46.36
N#CCC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887475	0	36	-1.0	-60.76	328.60	5.31	-55.45
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887476	0	32	-1.0	-49.03	305.96	0.64	-48.39
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887477	0	38	-1.0	-48.80	337.73	4.81	-43.99
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887478	0	38	-1.0	-49.41	357.01	5.12	-44.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010887479	0	32	-1.0	-50.61	303.70	4.70	-45.91
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010887480	0	32	-1.0	-47.73	298.66	4.56	-43.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010887481	0	35	-1.0	-56.20	310.82	4.40	-51.80
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300010887482	0	38	-1.0	-50.53	349.39	4.93	-45.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887483	0	35	-1.0	-53.11	338.43	4.62	-48.49
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887483	1	34	-2.0	-113.63	335.75	4.33	-109.30
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887484	0	38	-1.0	-51.14	336.09	4.50	-46.64
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887485	0	35	-1.0	-50.43	319.40	5.35	-45.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCC2CCOCC2)C1	REAL300010887486	0	42	-1.0	-51.07	341.90	3.52	-47.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010887487	0	44	-1.0	-52.81	377.76	1.27	-51.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010887488	0	37	-1.0	-51.75	315.43	4.64	-47.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010887489	0	36	-1.0	-57.68	327.85	1.29	-56.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010887490	0	29	-1.0	-48.34	285.73	4.03	-44.31
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)SC(Br)=C1	REAL300010887491	0	29	-1.0	-47.62	289.06	3.87	-43.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010887492	0	38	-1.0	-52.63	324.91	3.81	-48.82
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887493	0	39	-1.0	-53.14	322.68	1.97	-51.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010887494	0	35	-1.0	-51.40	314.89	5.04	-46.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010887495	0	35	-1.0	-51.41	314.04	5.00	-46.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010887496	0	35	-1.0	-52.62	320.60	5.28	-47.34
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887497	0	33	-1.0	-47.85	318.13	3.90	-43.95
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300010887498	0	44	-1.0	-55.96	367.28	2.31	-53.65
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)C1	REAL300010887499	0	40	-1.0	-54.14	353.55	3.90	-50.24
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010887500	0	36	-1.0	-51.60	337.92	5.73	-45.87
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCOC1	REAL300010887501	0	40	-1.0	-52.70	329.81	1.15	-51.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010887502	0	32	-1.0	-49.52	310.08	4.80	-44.72
NC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010887503	0	33	-1.0	-49.79	311.82	0.62	-49.17
NC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010887503	1	32	-2.0	-102.49	316.50	0.61	-101.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010887504	0	32	-1.0	-51.99	306.29	4.64	-47.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010887505	0	29	-1.0	-46.32	301.18	4.60	-41.72
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887506	0	36	-1.0	-55.66	319.09	0.89	-54.77
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887507	0	54	-1.0	-49.63	442.97	8.35	-41.28
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887508	0	44	-1.0	-52.39	373.04	5.80	-46.59
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887509	0	39	-1.0	-49.02	356.14	5.56	-43.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010887510	0	29	-1.0	-48.23	290.15	4.13	-44.10
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887511	0	35	-1.0	-52.77	322.45	4.15	-48.62
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010887512	0	43	-1.0	-51.67	370.88	6.49	-45.18
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010887513	0	43	-1.0	-52.21	380.61	6.82	-45.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010887514	0	28	-1.0	-52.36	274.49	2.36	-50.00
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010887514	1	27	-2.0	-115.37	273.12	1.95	-113.42
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2)=N1	REAL300010887515	0	41	-1.0	-52.89	356.64	3.35	-49.54
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010887516	0	39	-1.0	-51.62	345.05	4.58	-47.04
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)C1	REAL300010887517	0	41	-1.0	-52.97	347.43	4.88	-48.09
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010887518	0	35	-1.0	-50.02	308.14	2.37	-47.65
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010887519	0	37	-1.0	-49.87	344.16	2.31	-47.56
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010887520	0	41	-1.0	-50.97	354.27	6.32	-44.65
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887521	0	40	-1.0	-52.85	347.91	2.55	-50.30
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887522	0	35	-1.0	-51.00	320.37	3.90	-47.10
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887522	1	34	-2.0	-109.82	325.09	3.89	-105.93
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300010887523	0	40	-1.0	-59.00	355.23	5.06	-53.94
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887524	0	42	-1.0	-49.19	353.22	5.13	-44.06
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300010887525	0	42	-1.0	-53.02	335.43	3.79	-49.23
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300010887526	0	45	-1.0	-52.30	355.78	4.19	-48.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010887527	0	32	-1.0	-49.25	302.99	2.95	-46.30
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010887528	0	48	-1.0	-49.50	394.20	6.47	-43.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010887529	0	32	-1.0	-58.03	312.73	3.25	-54.78
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887530	0	33	-1.0	-50.10	298.23	3.31	-46.79
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010887531	0	37	-1.0	-51.88	326.33	5.90	-45.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010887532	0	42	-1.0	-49.91	365.66	5.78	-44.13
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887533	0	35	-1.0	-50.16	320.66	2.82	-47.34
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887533	1	34	-2.0	-104.34	317.65	2.51	-101.83
CCC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300010887534	0	42	-1.0	-54.55	355.76	5.34	-49.21
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887535	0	35	-1.0	-51.43	328.55	5.58	-45.85
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010887536	0	40	-1.0	-56.43	348.18	4.02	-52.41
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887537	0	32	-1.0	-47.79	299.99	1.98	-45.81
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010887538	0	40	-1.0	-50.66	363.76	7.56	-43.10
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887539	0	32	-1.0	-47.66	305.64	4.89	-42.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010887540	0	39	-1.0	-52.67	329.30	6.86	-45.81
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010887541	0	49	-1.0	-50.97	415.73	8.22	-42.75
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887542	0	35	-1.0	-52.26	324.55	5.36	-46.90
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887543	0	36	-1.0	-54.01	331.20	4.08	-49.93
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010887544	0	35	-1.0	-51.72	319.10	5.02	-46.70
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1F	REAL300010887545	0	32	-1.0	-52.93	295.01	4.21	-48.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010887546	0	28	-1.0	-51.50	284.87	2.12	-49.38
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010887546	1	27	-2.0	-107.06	282.57	1.83	-105.23
CC(C)OC1=CN=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887547	0	38	-1.0	-48.48	327.61	2.53	-45.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010887548	0	35	-1.0	-57.09	323.74	1.87	-55.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(NC(=O)C(F)(F)F)=CC=C2)C1	REAL300010887549	0	36	-1.0	-56.75	338.19	2.73	-54.02
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)OC=C1	REAL300010887550	0	31	-2.0	-118.08	296.56	2.18	-115.90
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)OC=C1	REAL300010887550	1	32	-1.0	-55.84	295.26	2.81	-53.03
CCC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300010887551	0	42	-1.0	-49.74	349.82	5.02	-44.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010887552	0	35	-1.0	-47.84	334.38	5.33	-42.51
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887553	0	37	-1.0	-52.24	331.93	4.47	-47.77
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300010887554	0	30	-2.0	-122.57	287.34	2.14	-120.43
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300010887554	1	31	-1.0	-54.95	286.04	2.28	-52.67
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887555	0	32	-1.0	-45.69	314.79	5.34	-40.35
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010887556	0	38	-1.0	-50.01	313.36	6.53	-43.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010887557	0	36	-1.0	-49.68	333.04	3.31	-46.37
CC1=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2NC1=O	REAL300010887558	0	38	-1.0	-52.94	334.64	3.21	-49.73
CN1N=NC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887559	0	34	-1.0	-54.85	306.47	1.87	-52.98
CC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010887560	0	38	-1.0	-52.58	343.80	5.11	-47.47
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010887561	0	29	-1.0	-53.80	279.75	1.08	-52.72
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010887561	1	28	-2.0	-104.97	275.92	0.68	-104.29
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010887562	0	34	-1.0	-48.17	305.36	4.40	-43.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010887563	0	35	-1.0	-48.95	316.86	4.55	-44.40
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887564	0	46	0.0	-74.94	365.02	2.69	-72.25
CN1CCN(CCCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300010887564	1	45	-1.0	-53.38	361.58	0.26	-53.12
CN1N=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Br	REAL300010887565	0	29	-1.0	-49.47	286.81	1.58	-47.89
CN1N=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1I	REAL300010887566	0	29	-1.0	-47.65	292.32	2.03	-45.62
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887567	0	33	-1.0	-48.97	299.92	4.67	-44.30
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887568	0	38	-1.0	-49.67	331.96	1.96	-47.71
CCCCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300010887569	0	41	-1.0	-51.18	337.01	3.70	-47.48
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(OC)C=C1F	REAL300010887570	0	39	-1.0	-52.21	351.07	3.91	-48.30
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887571	0	39	-1.0	-54.18	336.77	4.26	-49.92
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887572	0	33	-1.0	-51.37	297.60	3.48	-47.89
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010887573	0	45	-1.0	-49.73	372.70	5.67	-44.06
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887574	0	41	-1.0	-48.14	341.36	5.72	-42.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010887575	0	32	-1.0	-50.40	306.96	4.68	-45.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010887576	0	48	-1.0	-53.02	388.23	7.94	-45.08
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887577	0	34	-1.0	-51.71	326.28	3.64	-48.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010887578	0	26	-1.0	-52.23	260.14	1.36	-50.87
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010887578	1	25	-2.0	-112.63	259.59	1.15	-111.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010887579	0	37	-1.0	-57.34	331.25	4.26	-53.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010887580	0	28	-1.0	-47.77	287.91	2.67	-45.10
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010887580	1	27	-2.0	-102.66	285.66	2.36	-100.30
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010887581	0	28	-1.0	-51.60	280.28	2.04	-49.56
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010887581	1	27	-2.0	-103.90	277.64	1.76	-102.14
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887582	0	32	-1.0	-49.18	310.93	1.19	-47.99
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010887583	0	34	-1.0	-52.10	318.65	4.32	-47.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010887584	0	31	-1.0	-48.65	302.89	3.34	-45.31
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010887585	0	39	-1.0	-53.36	355.06	4.30	-49.06
CC1(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1(Cl)Cl	REAL300010887586	0	32	-1.0	-49.95	301.38	4.20	-45.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010887587	0	28	-1.0	-51.37	291.48	1.82	-49.55
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)C1	REAL300010887588	0	31	-1.0	-50.54	316.64	3.56	-46.98
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010887589	0	31	-1.0	-53.88	297.00	4.73	-49.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010887590	0	37	-1.0	-54.76	316.06	2.80	-51.96
CCOC(=O)C1(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCC1	REAL300010887591	0	38	-1.0	-48.47	313.19	4.19	-44.28
CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300010887592	0	40	-1.0	-61.74	347.68	0.03	-61.71
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010887593	0	30	-1.0	-49.81	308.39	2.54	-47.27
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887594	0	38	-1.0	-56.48	341.24	4.81	-51.67
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010887595	0	31	-2.0	-111.26	307.85	4.29	-106.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010887595	1	32	-1.0	-49.90	310.74	4.59	-45.31
CN1N=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010887596	0	32	-1.0	-49.78	295.77	2.16	-47.62
CN1N=CC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010887596	1	31	-2.0	-104.65	293.38	1.79	-102.86
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887597	0	39	-1.0	-48.89	319.31	3.40	-45.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010887598	0	26	-1.0	-49.53	272.61	3.01	-46.52
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010887599	0	41	-1.0	-48.92	332.46	3.69	-45.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010887600	0	39	-1.0	-50.63	330.63	3.81	-46.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887601	0	32	-1.0	-48.14	294.57	2.27	-45.87
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887602	0	47	-1.0	-54.66	406.60	5.20	-49.46
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=N1	REAL300010887603	0	29	-1.0	-52.92	288.11	1.65	-51.27
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010887604	0	31	-1.0	-49.66	298.25	2.55	-47.11
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887605	0	36	-1.0	-54.24	321.00	3.58	-50.66
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010887606	0	43	-1.0	-54.31	368.68	4.62	-49.69
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887607	0	39	-1.0	-48.70	340.37	6.24	-42.46
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887608	0	32	-1.0	-55.75	290.08	0.95	-54.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887608	1	31	-2.0	-122.59	291.61	0.81	-121.78
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887609	0	32	-1.0	-47.31	314.76	5.30	-42.01
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887610	0	34	-1.0	-55.75	308.15	3.93	-51.82
CC(C)(C)S(C)(=O)=NS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887611	0	38	-1.0	-61.21	326.76	1.49	-59.72
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010887612	0	51	-1.0	-49.67	415.61	7.25	-42.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010887613	0	32	-1.0	-50.10	299.36	4.31	-45.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)C1	REAL300010887614	0	40	-1.0	-52.63	351.64	4.15	-48.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010887615	0	33	-1.0	-50.27	311.80	5.16	-45.11
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010887616	0	51	-1.0	-48.74	407.18	7.18	-41.56
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1CC	REAL300010887617	0	45	-1.0	-49.69	377.30	5.94	-43.75
N#CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887618	0	36	-1.0	-55.53	326.46	5.38	-50.15
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887619	0	35	-1.0	-46.40	305.79	5.48	-40.92
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887620	0	43	-1.0	-59.61	363.77	3.08	-56.53
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010887621	0	32	-1.0	-50.88	318.54	5.18	-45.70
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010887622	0	32	-1.0	-51.54	309.34	4.78	-46.76
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010887623	0	39	-1.0	-58.38	344.80	5.34	-53.04
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887624	0	35	-1.0	-49.86	324.08	5.37	-44.49
CC1=CN=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887625	0	31	-1.0	-51.09	292.60	2.83	-48.26
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887626	0	33	-1.0	-51.22	310.81	3.65	-47.57
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1F	REAL300010887626	1	32	-2.0	-117.14	309.56	3.40	-113.74
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887627	0	39	-1.0	-53.79	337.24	5.73	-48.06
CCOC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010887628	0	38	-1.0	-49.74	330.05	3.30	-46.44
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010887629	0	33	-1.0	-50.31	309.31	5.06	-45.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010887630	0	34	-1.0	-51.90	294.48	0.41	-51.49
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010887631	0	33	-1.0	-53.22	304.19	-0.97	-54.19
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010887632	0	41	-1.0	-55.43	368.88	5.10	-50.33
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887633	0	42	-1.0	-49.87	364.34	4.25	-45.62
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010887634	0	38	-1.0	-54.11	325.40	4.18	-49.93
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010887635	0	29	-1.0	-53.67	277.14	3.73	-49.94
COC(=O)C1=CC=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887636	0	34	-1.0	-54.68	313.60	2.20	-52.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010887637	0	35	-1.0	-53.80	314.27	4.98	-48.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887638	0	45	-1.0	-52.21	376.48	6.20	-46.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010887639	0	34	-1.0	-54.59	299.38	4.01	-50.58
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887640	0	49	-1.0	-57.39	389.31	5.86	-51.53
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887641	0	36	-1.0	-54.64	324.65	3.64	-51.00
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300010887642	0	43	-1.0	-51.54	358.75	3.54	-48.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010887643	0	44	-1.0	-62.82	373.34	6.08	-56.74
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300010887644	0	43	-1.0	-62.85	363.47	5.37	-57.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010887645	0	36	-2.0	-108.56	305.80	3.04	-105.52
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300010887646	0	44	-1.0	-49.88	392.02	7.32	-42.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010887647	0	39	-1.0	-49.68	327.79	3.72	-45.96
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010887648	0	41	-1.0	-51.67	353.98	6.34	-45.33
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887649	0	42	-1.0	-55.20	368.41	4.80	-50.40
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887650	0	39	-1.0	-54.06	336.70	4.25	-49.81
CC1(C)COC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=NN2C1	REAL300010887651	0	40	-1.0	-50.96	332.63	1.51	-49.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010887652	0	35	-1.0	-50.22	330.05	4.35	-45.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010887653	0	35	-1.0	-51.29	313.92	0.68	-50.61
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010887654	0	25	-2.0	-107.62	262.37	1.83	-105.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010887654	1	26	-1.0	-49.04	263.84	2.19	-46.85
COC1=C(F)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887655	0	33	-1.0	-47.80	309.05	3.00	-44.80
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300010887656	0	33	-1.0	-49.25	304.11	2.88	-46.37
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010887657	0	54	-1.0	-49.64	437.11	8.03	-41.61
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887658	0	45	-1.0	-49.84	366.72	5.58	-44.26
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887659	0	39	-1.0	-49.76	337.40	4.84	-44.92
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010887660	0	52	-1.0	-51.93	428.18	5.89	-46.04
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2O1	REAL300010887661	0	37	-1.0	-52.50	320.06	4.04	-48.46
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887662	0	37	-1.0	-48.90	331.91	3.11	-45.79
N#CC1(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300010887663	0	37	-1.0	-54.42	330.95	5.64	-48.78
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887664	0	33	-1.0	-51.55	300.51	4.04	-47.51
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887664	1	32	-2.0	-112.71	297.03	3.82	-108.89
CC1=C(Br)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010887665	0	32	-1.0	-48.34	305.07	4.69	-43.65
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010887666	0	32	-1.0	-49.52	307.12	5.40	-44.12
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=N1	REAL300010887667	0	34	-1.0	-53.44	314.11	2.30	-51.14
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Br	REAL300010887668	0	35	-1.0	-55.02	329.40	4.72	-50.30
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300010887669	0	46	-1.0	-60.05	372.52	5.45	-54.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010887670	0	35	-1.0	-52.48	312.16	3.92	-48.56
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300010887671	0	43	-1.0	-61.41	362.72	5.10	-56.31
CN1N=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887672	0	29	-1.0	-48.58	280.87	1.22	-47.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010887673	0	31	-1.0	-48.75	296.64	2.57	-46.18
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887674	0	34	-1.0	-58.17	304.99	3.03	-55.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300010887675	0	33	-1.0	-52.41	318.25	4.02	-48.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010887676	0	32	-1.0	-57.01	308.07	3.16	-53.85
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010887677	0	32	-1.0	-49.72	302.01	4.89	-44.83
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300010887678	0	38	-1.0	-48.02	314.86	5.72	-42.30
COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300010887679	0	37	-1.0	-52.79	320.69	3.25	-49.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010887680	0	38	-1.0	-57.57	331.03	0.63	-56.94
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010887681	0	30	-1.0	-51.00	303.17	4.32	-46.68
COC1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300010887682	0	37	-1.0	-53.08	321.42	3.64	-49.44
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887683	0	31	-2.0	-100.62	318.89	2.53	-98.09
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887683	1	32	-1.0	-49.07	321.87	2.82	-46.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010887684	0	26	-1.0	-46.49	283.37	3.65	-42.84
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010887685	0	42	-1.0	-51.97	352.16	4.33	-47.64
N#CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010887686	0	33	-1.0	-50.99	311.62	5.30	-45.69
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887687	0	31	-2.0	-97.52	289.28	3.78	-93.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010887688	0	33	-1.0	-51.87	301.92	3.00	-48.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300010887689	0	33	-1.0	-54.61	318.34	4.02	-50.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010887690	0	32	-1.0	-51.75	291.31	2.64	-49.11
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010887690	1	31	-2.0	-117.28	290.06	2.37	-114.91
CN1N=NC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C21	REAL300010887691	0	34	-1.0	-61.42	307.81	1.83	-59.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010887692	0	29	-2.0	-94.14	302.25	3.02	-91.12
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010887693	0	35	-1.0	-48.93	317.39	5.52	-43.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010887694	0	35	-1.0	-48.92	331.42	4.59	-44.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010887695	0	32	-1.0	-51.32	296.99	3.82	-47.50
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010887696	0	39	-1.0	-52.09	335.66	3.81	-48.28
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887697	0	47	-1.0	-47.69	373.39	7.32	-40.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010887698	0	35	-1.0	-49.59	334.39	5.33	-44.26
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010887699	0	39	-1.0	-52.31	337.21	4.08	-48.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010887700	0	33	-1.0	-49.60	296.35	4.23	-45.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010887701	0	40	-1.0	-49.29	350.93	6.28	-43.01
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887702	0	42	-1.0	-55.56	352.97	1.86	-53.70
COC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010887703	0	38	-1.0	-61.26	325.89	4.67	-56.59
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887704	0	35	-1.0	-51.96	315.33	1.44	-50.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010887705	0	33	-1.0	-48.62	319.60	4.80	-43.82
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010887706	0	41	-1.0	-52.86	363.37	6.33	-46.53
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)C1	REAL300010887707	0	38	-1.0	-52.84	351.71	6.02	-46.82
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887708	0	38	-1.0	-47.61	307.70	3.16	-44.45
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887709	0	38	-1.0	-51.49	327.69	3.18	-48.31
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010887710	0	34	-1.0	-48.73	313.86	3.23	-45.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010887711	0	32	-1.0	-46.90	308.61	4.54	-42.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010887712	0	29	-1.0	-49.54	283.68	3.96	-45.58
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010887713	0	29	-1.0	-49.31	294.77	3.54	-45.77
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887714	0	39	-1.0	-53.79	345.37	2.48	-51.31
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887715	0	26	-1.0	-47.51	267.54	2.19	-45.32
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010887715	1	25	-2.0	-104.87	264.99	1.87	-103.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010887716	0	32	-1.0	-48.24	315.06	4.89	-43.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010887717	0	32	-1.0	-50.34	286.16	4.70	-45.64
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887718	0	40	-1.0	-57.26	347.22	5.46	-51.80
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010887719	0	40	-1.0	-49.97	332.85	6.49	-43.48
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887720	0	39	-1.0	-56.77	342.91	5.10	-51.67
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010887721	0	35	-1.0	-48.70	325.59	4.49	-44.21
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887722	0	34	-1.0	-50.79	321.73	3.90	-46.89
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010887723	0	36	-1.0	-54.58	316.27	1.81	-52.77
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887724	0	39	-1.0	-48.98	359.32	4.24	-44.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010887725	0	29	-1.0	-47.57	297.26	4.66	-42.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010887726	0	29	-1.0	-51.43	282.49	3.82	-47.61
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010887727	0	32	-1.0	-48.98	293.05	5.03	-43.95
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887728	0	35	-1.0	-49.23	328.14	3.77	-45.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010887729	0	36	-1.0	-49.20	310.38	5.33	-43.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)C1	REAL300010887730	0	31	-1.0	-47.57	317.54	3.69	-43.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010887731	0	39	-1.0	-48.56	321.18	3.57	-44.99
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887732	0	38	-1.0	-48.92	323.21	3.34	-45.58
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887733	0	38	-1.0	-57.14	333.88	0.94	-56.20
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887734	0	32	-1.0	-56.61	317.18	-0.05	-56.66
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887735	0	38	-1.0	-57.14	333.88	0.94	-56.20
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010887736	0	32	-1.0	-51.80	286.63	4.95	-46.85
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887737	0	41	-1.0	-56.46	353.02	7.21	-49.25
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887738	0	43	-1.0	-47.64	332.12	4.43	-43.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010887739	0	29	-1.0	-48.99	287.10	2.68	-46.31
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010887739	1	28	-2.0	-103.74	284.43	2.37	-101.37
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887740	0	33	-1.0	-48.20	303.90	3.33	-44.87
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010887741	0	43	-1.0	-51.56	361.80	2.58	-48.98
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887742	0	35	-1.0	-50.96	315.88	4.95	-46.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010887743	0	33	-1.0	-51.21	302.42	3.04	-48.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010887744	0	44	-1.0	-48.57	358.70	6.13	-42.44
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010887745	0	40	-1.0	-55.94	331.94	5.92	-50.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010887746	0	37	-1.0	-51.03	317.41	3.46	-47.57
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887747	0	39	-1.0	-51.50	339.66	4.11	-47.39
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887748	0	38	-1.0	-51.83	341.48	5.62	-46.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010887749	0	32	-1.0	-49.49	322.45	5.47	-44.02
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887750	0	39	-1.0	-49.65	335.87	4.20	-45.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010887751	0	42	-1.0	-50.17	349.55	4.41	-45.76
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010887752	0	32	-1.0	-50.19	319.62	5.28	-44.91
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010887752	1	31	-2.0	-111.51	314.99	5.32	-106.19
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010887753	0	40	-1.0	-49.11	351.83	6.31	-42.80
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887754	0	41	-1.0	-54.44	352.01	6.24	-48.20
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300010887755	0	35	-1.0	-47.77	320.86	5.20	-42.57
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010887756	0	34	-1.0	-50.14	321.82	4.86	-45.28
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010887756	1	33	-2.0	-110.43	323.40	4.68	-105.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010887757	0	28	-1.0	-51.68	287.23	1.72	-49.96
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010887758	0	33	-1.0	-56.28	301.61	2.91	-53.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010887759	0	35	-1.0	-49.26	335.98	4.48	-44.78
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010887759	1	34	-2.0	-104.91	332.21	4.71	-100.20
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010887760	0	28	-1.0	-47.54	280.80	2.10	-45.44
N#CC1(OCCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCOCC1	REAL300010887761	0	41	-1.0	-52.75	347.32	1.19	-51.56
CCN1N=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010887762	0	32	-1.0	-49.48	304.90	2.36	-47.12
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010887763	0	33	-1.0	-51.87	313.41	5.14	-46.73
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=C2	REAL300010887764	0	35	-1.0	-49.36	348.24	4.69	-44.67
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010887765	0	28	-2.0	-108.36	290.09	4.06	-104.30
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887766	0	31	-1.0	-50.13	296.66	2.42	-47.71
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887766	1	30	-2.0	-105.38	300.83	2.35	-103.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010887767	0	34	-1.0	-55.06	319.62	4.64	-50.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010887768	0	34	-1.0	-56.14	316.38	4.45	-51.69
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887769	0	31	-1.0	-50.13	296.66	2.42	-47.71
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010887769	1	30	-2.0	-105.38	300.83	2.35	-103.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010887770	0	32	-1.0	-49.49	322.45	5.47	-44.02
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010887771	0	38	-1.0	-51.60	321.88	6.36	-45.24
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887772	0	33	-1.0	-51.47	313.85	4.44	-47.03
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887772	1	32	-2.0	-118.36	312.12	4.17	-114.19
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010887773	0	36	-1.0	-52.41	320.60	3.79	-48.62
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887774	0	43	-1.0	-52.32	366.81	4.91	-47.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010887775	0	29	-1.0	-50.44	290.83	4.04	-46.40
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010887775	1	28	-2.0	-106.15	288.12	3.75	-102.40
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300010887776	0	35	-1.0	-59.77	326.92	-0.25	-60.02
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010887777	0	39	-1.0	-54.40	339.41	4.98	-49.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010887778	0	35	-1.0	-51.37	334.60	0.85	-50.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010887779	0	33	-1.0	-51.40	316.42	5.24	-46.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010887780	0	33	-1.0	-49.07	316.35	5.28	-43.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010887781	0	34	-1.0	-57.98	307.07	-2.65	-60.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010887782	0	31	-1.0	-52.05	293.61	2.81	-49.24
CC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010887783	0	38	-1.0	-52.30	336.29	2.35	-49.95
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010887783	1	37	-2.0	-121.53	336.37	2.14	-119.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010887784	0	46	-1.0	-51.87	339.70	6.30	-45.57
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887785	0	37	-1.0	-61.32	333.69	0.27	-61.05
CC1(C)CCC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)OC1	REAL300010887786	0	42	-1.0	-54.20	336.92	3.79	-50.41
CCOC(=O)C1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C2C=CC=CN12	REAL300010887787	0	41	-1.0	-57.50	365.07	5.18	-52.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010887788	0	33	-1.0	-56.22	311.21	2.50	-53.72
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2C=C1	REAL300010887789	0	38	-1.0	-54.24	344.57	5.34	-48.90
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010887790	0	39	-1.0	-55.37	344.63	6.28	-49.09
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010887791	0	38	-1.0	-53.87	317.73	0.92	-52.95
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887792	0	38	-1.0	-57.90	335.56	4.31	-53.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010887793	0	42	-1.0	-49.35	330.80	5.47	-43.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010887794	0	33	-1.0	-48.19	306.96	4.77	-43.42
COC(=O)C1CCCCN1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887795	0	40	-1.0	-53.25	323.86	4.05	-49.20
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010887796	0	51	-1.0	-48.52	392.74	7.63	-40.89
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010887797	0	32	-1.0	-54.93	308.18	4.22	-50.71
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887798	0	40	-1.0	-51.40	336.73	4.43	-46.97
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=NN1	REAL300010887799	0	35	-1.0	-51.84	323.46	1.25	-50.59
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887799	1	34	-2.0	-91.62	319.94	1.09	-90.53
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N[N-]1	REAL300010887799	1	34	-2.0	-91.62	320.04	1.10	-90.52
COC1=CSC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300010887800	0	34	-1.0	-50.23	313.03	2.21	-48.02
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887801	0	31	-2.0	-101.58	315.17	2.42	-99.16
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887801	1	32	-1.0	-48.47	317.73	2.75	-45.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010887802	0	41	-1.0	-47.55	323.11	3.89	-43.66
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887803	0	40	-1.0	-49.30	342.10	5.25	-44.05
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887804	0	33	-1.0	-49.18	311.12	4.54	-44.64
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887804	1	32	-2.0	-111.73	314.35	4.40	-107.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300010887805	0	33	-1.0	-50.50	304.59	4.44	-46.06
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887806	0	33	-1.0	-49.58	300.00	2.99	-46.59
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010887806	1	32	-2.0	-113.51	298.20	2.73	-110.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010887807	0	33	-1.0	-52.75	308.17	3.07	-49.68
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887808	0	35	-1.0	-50.41	306.64	3.34	-47.07
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010887809	0	32	-1.0	-53.85	292.80	4.97	-48.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010887810	0	38	-1.0	-48.75	342.08	3.95	-44.80
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010887811	0	26	-1.0	-45.48	288.24	3.56	-41.92
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010887811	1	25	-2.0	-98.80	285.65	3.25	-95.55
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887812	0	42	-1.0	-51.98	353.06	5.73	-46.25
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010887813	0	46	-1.0	-51.07	381.58	5.37	-45.70
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010887814	0	32	-1.0	-48.75	317.90	4.85	-43.90
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010887815	0	34	-1.0	-52.91	315.32	4.09	-48.82
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887816	0	37	-1.0	-53.71	316.94	3.27	-50.44
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(I)C=CS2)C1	REAL300010887817	0	26	-1.0	-48.87	278.59	3.60	-45.27
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010887817	1	25	-2.0	-105.47	274.65	3.39	-102.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010887818	0	40	-1.0	-52.15	353.13	6.35	-45.80
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887819	0	35	-1.0	-55.49	300.09	5.44	-50.05
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887820	0	32	-1.0	-55.75	290.08	0.95	-54.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887820	1	31	-2.0	-122.59	291.61	0.81	-121.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010887821	0	34	-1.0	-52.39	318.05	2.05	-50.34
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010887822	0	30	-1.0	-52.92	304.73	2.22	-50.70
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887823	0	31	-1.0	-48.40	290.30	2.95	-45.45
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887824	0	40	-1.0	-52.07	346.39	5.05	-47.02
CCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010887825	0	39	-1.0	-52.07	341.93	4.18	-47.89
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010887826	0	33	-1.0	-52.20	301.17	2.85	-49.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010887827	0	35	-1.0	-49.01	325.80	6.24	-42.77
CC(=O)OC1CCN(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1	REAL300010887828	0	37	-1.0	-52.79	320.87	2.54	-50.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010887829	0	39	-1.0	-48.82	354.09	7.39	-41.43
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010887830	0	32	-1.0	-50.06	318.79	4.48	-45.58
CCC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010887831	0	35	-1.0	-47.37	322.22	5.33	-42.04
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887832	0	42	-1.0	-47.89	344.74	4.42	-43.47
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887833	0	43	-1.0	-52.83	368.10	3.72	-49.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010887834	0	35	-1.0	-50.86	321.74	6.32	-44.54
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887835	0	37	-1.0	-49.58	311.27	1.08	-48.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)C1	REAL300010887836	0	35	-1.0	-50.33	328.00	3.28	-47.05
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887837	0	43	-1.0	-57.72	371.72	4.16	-53.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010887838	0	44	-1.0	-50.13	365.06	3.84	-46.29
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887839	0	32	-1.0	-48.58	305.94	1.11	-47.47
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887840	0	35	-1.0	-49.41	310.44	0.89	-48.52
CC(C)CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300010887841	0	38	-1.0	-50.73	326.11	3.62	-47.11
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887842	0	38	-1.0	-51.40	328.45	3.11	-48.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010887843	0	28	-1.0	-51.77	290.50	1.44	-50.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010887844	0	39	-1.0	-51.84	318.10	0.65	-51.19
COCC1=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=NO1	REAL300010887845	0	35	-1.0	-54.80	317.56	1.34	-53.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010887846	0	32	-1.0	-58.03	312.73	3.25	-54.78
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010887847	0	26	-2.0	-108.85	273.61	0.85	-108.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010887847	1	27	-1.0	-49.77	276.25	1.25	-48.52
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887848	0	33	-1.0	-56.81	311.64	1.47	-55.34
CC1=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010887849	0	35	-1.0	-47.99	302.49	4.72	-43.27
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010887850	0	26	-1.0	-46.49	283.37	3.65	-42.84
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887851	0	33	-1.0	-50.82	313.19	3.84	-46.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010887852	0	31	-1.0	-50.27	298.35	2.57	-47.70
COC1=NC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010887853	0	32	-1.0	-51.03	303.38	0.75	-50.28
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887854	0	38	-1.0	-53.77	341.40	2.12	-51.65
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300010887854	1	37	-2.0	-92.14	341.85	1.37	-90.77
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887855	0	36	-1.0	-58.25	325.24	1.24	-57.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010887856	0	33	-1.0	-50.48	326.08	5.56	-44.92
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010887857	0	34	-1.0	-49.37	314.56	5.62	-43.75
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010887858	0	27	-2.0	-113.19	282.07	1.90	-111.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010887858	1	28	-1.0	-52.04	284.11	2.30	-49.74
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N=C1	REAL300010887859	0	40	-1.0	-49.65	335.57	3.84	-45.81
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010887860	0	37	-1.0	-51.84	319.51	4.73	-47.11
COC(=O)C1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300010887861	0	37	-1.0	-50.57	329.95	2.83	-47.74
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887862	0	32	-1.0	-54.97	301.50	5.33	-49.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010887863	0	36	-1.0	-52.21	314.42	4.74	-47.47
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010887864	0	31	-1.0	-52.28	293.25	2.46	-49.82
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300010887865	0	38	-1.0	-49.85	326.43	3.25	-46.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010887866	0	36	-1.0	-54.02	322.55	5.63	-48.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010887867	0	31	-1.0	-51.95	292.39	2.58	-49.37
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=C1NCCC2	REAL300010887868	0	41	-1.0	-48.85	333.60	4.37	-44.48
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300010887869	0	43	-1.0	-49.28	372.94	7.06	-42.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010887870	0	36	-1.0	-50.42	324.65	5.69	-44.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010887871	0	26	-1.0	-49.53	272.61	3.01	-46.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010887872	0	33	-1.0	-52.37	313.69	3.91	-48.46
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887873	0	31	-1.0	-47.03	294.91	3.04	-43.99
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010887874	0	34	-1.0	-53.86	299.83	3.95	-49.91
CC1=CC=C(I)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887875	0	32	-1.0	-46.69	306.52	5.35	-41.34
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887876	0	38	-1.0	-52.26	330.20	5.32	-46.94
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010887877	0	40	-1.0	-50.80	347.38	7.58	-43.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010887878	0	32	-1.0	-52.00	300.97	4.37	-47.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010887879	0	28	-1.0	-48.34	279.07	2.22	-46.12
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010887880	0	31	-1.0	-52.00	284.61	3.02	-48.98
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010887880	1	30	-2.0	-115.82	283.27	2.74	-113.08
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010887881	0	32	-1.0	-47.82	294.58	3.18	-44.64
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887882	0	37	-1.0	-57.47	316.44	-0.88	-58.35
CC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010887883	0	31	-1.0	-48.41	298.74	2.68	-45.73
O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010887884	0	27	-2.0	-105.12	288.29	2.56	-102.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010887884	1	28	-1.0	-47.00	291.20	2.87	-44.13
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010887885	0	33	-1.0	-57.28	311.03	2.74	-54.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010887886	0	33	-1.0	-49.20	311.79	5.16	-44.04
CP(C)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300010887887	0	38	-1.0	-57.37	342.77	3.00	-54.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010887888	0	36	-1.0	-51.02	316.53	5.81	-45.21
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010887889	0	32	-1.0	-50.70	310.24	5.08	-45.62
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010887890	0	33	-1.0	-47.85	307.12	3.01	-44.84
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300010887891	0	36	-1.0	-50.04	310.66	3.28	-46.76
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010887892	0	42	-1.0	-52.88	367.11	5.08	-47.80
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010887893	0	42	-1.0	-55.85	362.14	5.99	-49.86
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887894	0	35	-1.0	-49.31	328.16	1.54	-47.77
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887895	0	35	-1.0	-48.89	329.90	5.52	-43.37
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887895	1	34	-2.0	-109.18	328.91	5.21	-103.97
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887896	0	34	-1.0	-52.75	302.90	3.14	-49.61
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887897	0	35	-1.0	-56.47	313.77	4.98	-51.49
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1	REAL300010887897	1	34	-2.0	-125.65	309.57	4.84	-120.81
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010887898	0	34	-1.0	-50.72	299.80	3.90	-46.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2I)C1	REAL300010887899	0	29	-1.0	-50.15	284.47	4.72	-45.43
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COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890356	0	44	-1.0	-57.19	339.28	5.73	-51.46
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CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010890369	0	42	-1.0	-49.39	357.09	6.03	-43.36
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CCC1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890372	0	34	-1.0	-48.91	304.10	3.58	-45.33
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COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890376	0	37	-1.0	-51.92	319.07	5.24	-46.68
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CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890379	0	34	-1.0	-53.30	313.63	5.38	-47.92
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890380	0	42	-1.0	-57.69	358.08	1.53	-56.16
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CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890383	0	41	-1.0	-57.55	349.81	5.99	-51.56
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CCC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890387	0	41	-1.0	-50.64	340.75	7.18	-43.46
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890388	0	38	-1.0	-49.77	324.58	6.44	-43.33
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890389	0	35	-1.0	-49.08	302.30	6.03	-43.05
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COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890392	0	40	-1.0	-57.41	327.86	5.52	-51.89
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300010890393	0	59	-1.0	-49.72	459.30	9.54	-40.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010890394	0	41	-1.0	-51.82	334.74	6.48	-45.34
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890395	0	35	-1.0	-55.84	289.42	5.82	-50.02
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890396	0	46	-1.0	-52.51	390.25	6.16	-46.35
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890397	0	33	-1.0	-51.59	300.14	5.62	-45.97
CC1=NC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CS1	REAL300010890398	0	34	-1.0	-53.51	304.22	3.44	-50.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010890399	0	35	-1.0	-56.95	317.84	4.10	-52.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010890400	0	38	-1.0	-48.32	341.25	7.88	-40.44
COC(=O)CCCCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890401	0	43	-1.0	-54.63	358.18	5.87	-48.76
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CN=C21	REAL300010890402	0	37	-1.0	-53.48	318.21	4.16	-49.32
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890403	0	40	-1.0	-56.10	341.05	3.25	-52.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010890405	0	35	-1.0	-48.00	329.66	6.56	-41.44
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890406	0	43	-1.0	-55.18	356.64	3.95	-51.23
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010890407	0	38	-1.0	-47.53	337.39	5.86	-41.67
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010890408	0	42	-1.0	-48.42	364.59	4.29	-44.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010890409	0	43	-1.0	-53.17	373.02	6.83	-46.34
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890410	0	42	-1.0	-52.02	349.14	5.82	-46.20
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010890411	0	35	-1.0	-56.52	311.78	3.93	-52.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010890412	0	43	-1.0	-51.37	355.25	6.36	-45.01
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010890413	0	40	-1.0	-54.71	326.02	6.62	-48.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010890414	0	35	-1.0	-56.70	308.23	5.92	-50.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010890415	0	35	-1.0	-51.48	315.01	5.96	-45.52
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890416	0	35	-1.0	-48.31	316.57	6.31	-42.00
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890417	0	36	-1.0	-54.45	301.90	5.60	-48.85
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890418	0	43	-1.0	-68.06	351.60	5.03	-63.03
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010890419	0	44	-1.0	-66.97	363.80	4.39	-62.58
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010890420	0	40	-1.0	-51.25	343.30	6.33	-44.92
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010890421	0	42	-1.0	-48.42	364.59	4.29	-44.13
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890422	0	40	-1.0	-50.93	325.56	5.38	-45.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010890423	0	35	-1.0	-51.51	320.48	6.32	-45.19
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300010890424	0	42	-1.0	-53.40	353.04	5.50	-47.90
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=CS1	REAL300010890425	0	38	-1.0	-58.11	330.58	5.71	-52.40
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300010890426	0	36	-1.0	-47.70	309.78	4.36	-43.34
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890427	0	43	-1.0	-53.14	350.43	5.37	-47.77
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890428	0	46	-1.0	-53.43	383.90	6.19	-47.24
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890429	0	41	-1.0	-52.77	329.06	7.22	-45.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010890430	0	46	-1.0	-53.96	385.20	8.42	-45.54
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890431	0	40	-1.0	-56.51	342.04	7.23	-49.28
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890432	0	44	0.0	-79.61	352.25	6.93	-72.68
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890433	0	40	-1.0	-52.17	324.96	5.42	-46.75
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300010890434	0	47	-1.0	-50.71	397.59	7.70	-43.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300010890435	0	35	-1.0	-52.01	309.38	5.63	-46.38
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890436	0	44	-1.0	-56.56	354.24	6.90	-49.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010890437	0	32	-1.0	-51.69	302.63	5.83	-45.86
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890438	0	32	-1.0	-45.40	303.32	5.22	-40.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010890439	0	38	-1.0	-51.71	319.74	5.51	-46.20
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890440	0	36	-1.0	-54.88	305.76	4.26	-50.62
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010890441	0	40	-1.0	-49.61	324.79	7.75	-41.86
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010890442	0	38	-1.0	-52.22	334.88	6.81	-45.41
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010890443	0	42	-1.0	-45.50	354.13	7.55	-37.95
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890444	0	35	-1.0	-42.50	304.24	5.96	-36.54
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010890445	0	37	-1.0	-54.20	315.25	5.36	-48.84
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890446	0	38	-1.0	-56.27	324.34	6.46	-49.81
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010890447	0	40	-1.0	-55.88	324.13	6.57	-49.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010890448	0	32	-1.0	-53.46	297.85	5.82	-47.64
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010890449	0	42	-1.0	-45.50	354.13	7.55	-37.95
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010890450	0	31	-1.0	-45.75	291.80	3.67	-42.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010890451	0	32	-1.0	-48.45	310.19	6.07	-42.38
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O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010890453	0	32	-1.0	-49.61	294.92	5.44	-44.17
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890454	0	42	-1.0	-55.01	332.95	6.56	-48.45
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890455	0	35	-1.0	-50.54	301.04	1.72	-48.82
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C#N	REAL300010890456	0	36	-1.0	-48.10	314.03	5.88	-42.22
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890457	0	38	-1.0	-54.44	333.37	5.68	-48.76
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890458	0	36	-1.0	-51.44	313.37	5.38	-46.06
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CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=NO1	REAL300010890461	0	43	-1.0	-56.67	355.73	5.75	-50.92
O=C([O-])[C@@H]1CCCN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010890462	0	49	-1.0	-44.38	363.41	10.71	-33.67
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010890463	0	46	-1.0	-51.85	363.29	6.89	-44.96
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890464	0	39	-1.0	-52.85	307.14	4.62	-48.23
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890465	0	37	-1.0	-48.36	324.02	3.85	-44.51
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010890466	0	33	-1.0	-50.05	314.56	5.89	-44.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010890467	0	34	-1.0	-46.31	321.34	6.31	-40.00
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010890468	0	39	-1.0	-45.06	323.47	5.19	-39.87
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890469	0	38	-1.0	-48.36	345.60	5.77	-42.59
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890470	0	39	-1.0	-51.46	323.92	4.86	-46.60
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010890471	0	40	-1.0	-51.82	339.26	4.49	-47.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010890472	0	36	-1.0	-51.36	319.53	4.63	-46.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010890473	0	35	-1.0	-44.76	318.39	6.05	-38.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010890474	0	43	-1.0	-53.14	365.41	2.08	-51.06
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2S1	REAL300010890475	0	44	-1.0	-53.31	388.51	8.07	-45.24
N#CCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890476	0	36	-1.0	-57.03	316.10	6.20	-50.83
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010890477	0	38	-1.0	-60.05	334.43	4.91	-55.14
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890478	0	37	-1.0	-57.05	330.66	0.64	-56.41
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890479	0	38	-1.0	-55.29	330.98	5.62	-49.67
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890480	0	40	-1.0	-56.81	342.36	6.50	-50.31
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010890481	0	36	-1.0	-53.03	310.95	4.56	-48.47
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)OCO2	REAL300010890482	0	38	-1.0	-51.71	303.84	3.93	-47.78
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890483	0	38	-1.0	-57.57	319.82	6.12	-51.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010890484	0	32	-1.0	-50.29	296.09	5.74	-44.55
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890485	0	38	-1.0	-47.24	303.04	6.50	-40.74
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010890486	0	32	-1.0	-49.56	298.21	5.78	-43.78
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)OCC(=O)N2	REAL300010890487	0	42	-1.0	-53.38	349.02	2.08	-51.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010890488	0	34	-1.0	-48.14	320.70	6.13	-42.01
N#CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890489	0	30	-1.0	-50.50	286.36	4.58	-45.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010890490	0	34	-1.0	-44.24	315.55	5.94	-38.30
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O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010890492	0	33	-1.0	-58.39	297.65	3.37	-55.02
COC1=CN=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890493	0	35	-1.0	-49.61	298.64	2.46	-47.15
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010890494	0	32	-1.0	-46.88	295.51	5.49	-41.39
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300010890495	0	42	-1.0	-50.27	356.13	5.72	-44.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010890496	0	32	-1.0	-49.90	298.21	5.77	-44.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010890497	0	35	-1.0	-51.93	314.38	6.27	-45.66
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890498	0	35	-1.0	-59.01	318.74	2.50	-56.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890498	1	34	-2.0	-97.98	315.73	1.36	-96.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010890499	0	35	-1.0	-51.87	318.95	6.38	-45.49
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890500	0	36	-1.0	-57.61	325.14	2.32	-55.29
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890501	0	41	-1.0	-61.10	342.90	7.75	-53.35
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890502	0	40	-1.0	-67.73	328.71	2.66	-65.07
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890503	0	36	-1.0	-57.32	329.70	2.42	-54.90
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890504	0	39	-1.0	-54.26	325.21	5.26	-49.00
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2O1	REAL300010890505	0	43	-1.0	-57.57	350.33	6.24	-51.33
N#CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010890506	0	36	-1.0	-45.83	330.72	6.17	-39.66
COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890507	0	41	-1.0	-50.90	342.20	3.57	-47.33
CC1=CC=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890508	0	41	-1.0	-50.44	341.04	7.20	-43.24
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890509	0	39	-1.0	-52.00	344.14	5.59	-46.41
N#CC1CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1	REAL300010890510	0	36	-1.0	-50.38	304.20	2.22	-48.16
CCN(CC(C)C#N)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890511	0	40	-1.0	-59.98	328.62	4.92	-55.06
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300010890512	0	35	-1.0	-55.19	299.71	3.67	-51.52
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890513	0	33	-1.0	-47.21	299.45	5.34	-41.87
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890514	0	33	-1.0	-57.81	304.54	5.63	-52.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890515	0	38	-1.0	-46.99	319.40	6.39	-40.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010890516	0	38	-1.0	-55.70	327.41	6.21	-49.49
COCCOCCOCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890517	0	46	-1.0	-53.67	382.61	2.33	-51.34
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890518	0	42	-1.0	-60.40	359.06	2.38	-58.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010890519	0	32	-1.0	-47.35	293.91	5.76	-41.59
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2CC1	REAL300010890520	0	49	-1.0	-56.62	385.70	6.95	-49.67
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010890521	0	41	-1.0	-54.80	359.00	6.45	-48.35
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010890522	0	42	-1.0	-49.29	365.26	6.62	-42.67
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890523	0	41	-1.0	-52.58	343.75	7.43	-45.15
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890524	0	41	-1.0	-52.30	339.58	7.14	-45.16
CN(C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300010890525	0	39	-1.0	-62.91	304.46	3.17	-59.74
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890526	0	42	-1.0	-54.31	354.36	4.02	-50.29
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010890527	0	32	-1.0	-51.30	293.04	5.48	-45.82
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010890528	0	45	-1.0	-52.36	375.16	6.57	-45.79
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010890529	0	41	-1.0	-49.83	365.40	6.94	-42.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010890530	0	34	-1.0	-45.64	316.71	6.67	-38.97
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010890531	0	41	-1.0	-58.62	335.04	2.20	-56.42
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890532	0	40	-1.0	-52.96	336.23	6.26	-46.70
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010890533	0	43	-1.0	-52.77	364.74	4.79	-47.98
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010890534	0	44	-1.0	-51.50	368.88	7.07	-44.43
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890535	0	46	-1.0	-52.88	385.60	3.18	-49.70
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890536	0	43	-1.0	-54.57	353.43	4.55	-50.02
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890537	0	45	-1.0	-57.78	373.15	6.45	-51.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C	REAL300010890538	0	44	-1.0	-47.72	366.73	7.09	-40.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300010890539	0	35	-1.0	-50.18	303.63	6.11	-44.07
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890540	0	44	-1.0	-53.49	372.88	7.34	-46.15
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890541	0	38	-1.0	-54.63	344.59	7.19	-47.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010890542	0	35	-1.0	-49.01	312.01	6.73	-42.28
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890543	0	48	-1.0	-51.98	374.41	6.41	-45.57
CC1=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=N1	REAL300010890544	0	37	-1.0	-50.76	323.33	4.24	-46.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010890545	0	38	-1.0	-48.93	336.09	7.02	-41.91
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890546	0	41	-1.0	-53.74	352.88	6.53	-47.21
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010890547	0	42	-1.0	-53.59	348.26	8.40	-45.19
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890548	0	46	-1.0	-54.06	393.00	2.83	-51.23
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CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1C	REAL300010890550	0	44	-1.0	-48.56	376.07	6.21	-42.35
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COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890557	0	40	-1.0	-49.80	323.04	4.94	-44.86
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890558	0	45	-1.0	-52.84	368.01	5.85	-46.99
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CCOC(=O)CC1(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890560	0	41	-1.0	-55.62	338.04	6.45	-49.17
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CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890564	0	44	-1.0	-56.53	377.51	4.26	-52.27
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COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCC1	REAL300010890566	0	44	-1.0	-50.44	343.20	6.25	-44.19
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CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010890569	0	38	-1.0	-46.95	328.49	6.50	-40.45
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COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890571	0	41	-1.0	-54.19	351.02	6.42	-47.77
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COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1	REAL300010890575	0	41	-1.0	-56.16	336.09	5.42	-50.74
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CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890579	0	48	-1.0	-56.73	405.58	6.33	-50.40
COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300010890580	0	47	-1.0	-57.95	355.30	7.16	-50.79
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN=C1C	REAL300010890581	0	40	-1.0	-48.05	340.30	4.33	-43.72
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010890582	0	36	-1.0	-46.19	320.81	4.70	-41.49
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890583	0	41	-1.0	-49.13	367.23	7.12	-42.01
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COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010890595	0	41	-1.0	-51.77	347.00	6.15	-45.62
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CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890601	0	44	-1.0	-51.76	374.53	7.33	-44.43
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890602	0	37	-1.0	-59.78	317.06	5.03	-54.75
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COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300010890605	0	44	-1.0	-51.42	357.79	6.73	-44.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010890606	0	40	-1.0	-51.44	334.62	6.00	-45.44
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O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300010890611	0	35	-1.0	-56.48	301.66	5.35	-51.13
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CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010890613	0	41	-1.0	-50.82	341.38	7.94	-42.88
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COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890615	0	41	-1.0	-48.35	349.02	6.43	-41.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010890616	0	47	-1.0	-56.62	395.46	5.59	-51.03
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890617	0	45	-1.0	-54.20	369.55	5.40	-48.80
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010890618	0	35	-1.0	-54.46	316.41	6.23	-48.23
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CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(CC)=C1	REAL300010890620	0	50	-1.0	-49.76	367.25	9.06	-40.70
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COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010890624	0	40	-1.0	-52.87	342.11	4.74	-48.13
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CC(C)(CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300010890627	0	43	-1.0	-64.77	347.37	2.12	-62.65
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010890628	0	36	-1.0	-47.42	319.59	4.84	-42.58
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COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890630	0	45	-1.0	-57.24	370.64	6.11	-51.13
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COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890635	0	41	-1.0	-50.90	356.47	6.48	-44.42
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890636	0	45	-1.0	-53.15	363.17	6.41	-46.74
COC(CC(C)C)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890637	0	44	-1.0	-51.53	347.24	4.91	-46.62
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890638	0	36	-1.0	-52.21	303.11	4.93	-47.28
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CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300010890647	0	41	-1.0	-54.87	352.84	6.55	-48.32
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890648	0	41	-1.0	-49.68	367.73	6.68	-43.00
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010890649	0	35	-1.0	-49.56	314.59	6.26	-43.30
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010890650	0	35	-1.0	-47.27	309.52	6.09	-41.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010890651	0	38	-1.0	-61.29	321.99	6.01	-55.28
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300010890652	0	41	-1.0	-52.63	360.09	6.50	-46.13
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010890653	0	38	-1.0	-57.25	345.89	6.08	-51.17
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890654	0	41	-1.0	-54.07	351.30	6.24	-47.83
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890655	0	39	-1.0	-50.25	325.20	5.26	-44.99
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890656	0	38	-1.0	-52.90	330.04	6.91	-45.99
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCC2CCOCC2)C1	REAL300010890657	0	45	-1.0	-49.82	352.80	5.08	-44.74
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010890658	0	47	-1.0	-49.61	388.52	2.83	-46.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010890659	0	40	-1.0	-54.57	322.02	6.24	-48.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010890660	0	39	-1.0	-59.06	338.96	2.90	-56.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010890661	0	32	-1.0	-49.19	296.65	5.55	-43.64
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC(Br)=C1	REAL300010890662	0	32	-1.0	-44.11	300.29	5.39	-38.72
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010890663	0	41	-1.0	-50.68	330.01	5.37	-45.31
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890664	0	42	-1.0	-57.08	342.59	3.64	-53.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010890665	0	38	-1.0	-50.71	326.05	6.57	-44.14
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010890666	0	38	-1.0	-53.53	324.81	6.55	-46.98
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010890667	0	38	-1.0	-52.29	333.11	6.93	-45.36
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890668	0	36	-1.0	-48.25	325.37	5.53	-42.72
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300010890669	0	47	-1.0	-58.15	374.52	3.93	-54.22
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)C1	REAL300010890670	0	43	-1.0	-50.70	365.59	5.53	-45.17
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010890671	0	39	-1.0	-53.48	347.20	7.59	-45.89
COC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890672	0	41	-1.0	-50.75	324.88	3.20	-47.55
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCOC1	REAL300010890673	0	43	-1.0	-50.87	339.19	2.78	-48.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010890674	0	35	-1.0	-51.27	320.73	6.38	-44.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010890675	0	35	-1.0	-51.57	317.50	6.26	-45.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010890676	0	32	-1.0	-47.28	311.92	6.16	-41.12
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890677	0	39	-1.0	-55.82	329.82	2.46	-53.36
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890678	0	57	-1.0	-49.82	454.23	9.96	-39.86
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890679	0	47	-1.0	-53.37	383.75	7.37	-46.00
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010890680	0	32	-1.0	-49.00	301.07	5.65	-43.35
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890681	0	38	-1.0	-54.44	333.37	5.68	-48.76
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010890682	0	46	-1.0	-49.39	382.24	8.05	-41.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010890683	0	46	-1.0	-54.23	391.54	8.34	-45.89
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010890684	0	31	-1.0	-51.14	286.57	3.83	-47.31
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2)=N1	REAL300010890685	0	44	-1.0	-48.51	355.34	4.40	-44.11
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010890686	0	42	-1.0	-53.66	356.68	5.74	-47.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300010890687	0	44	-1.0	-51.81	358.30	6.43	-45.38
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010890688	0	38	-1.0	-56.07	318.59	3.93	-52.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300010890689	0	40	-1.0	-49.38	355.05	3.83	-45.55
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300010890690	0	44	-1.0	-52.14	358.90	7.80	-44.34
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010890691	0	43	-1.0	-50.69	358.77	4.08	-46.61
CCOC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1	REAL300010890692	0	42	-1.0	-51.62	339.41	5.31	-46.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010890693	0	38	-1.0	-57.23	335.56	5.64	-51.59
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300010890694	0	43	-1.0	-63.90	358.29	6.25	-57.65
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890695	0	45	-1.0	-50.02	363.89	6.70	-43.32
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300010890696	0	45	-1.0	-51.25	347.79	5.14	-46.11
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300010890697	0	48	-1.0	-51.26	365.54	6.04	-45.22
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010890698	0	35	-1.0	-49.83	313.61	4.54	-45.29
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010890699	0	51	-1.0	-49.70	405.55	8.04	-41.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010890700	0	35	-1.0	-61.31	322.66	4.82	-56.49
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890701	0	36	-1.0	-50.69	304.78	4.92	-45.77
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010890702	0	40	-1.0	-47.45	326.38	6.82	-40.63
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890703	0	39	-1.0	-47.41	317.63	4.79	-42.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010890704	0	45	-1.0	-50.07	377.26	7.33	-42.74
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010890705	0	38	-1.0	-46.59	331.51	4.37	-42.22
CCC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300010890706	0	45	-1.0	-57.53	368.21	6.81	-50.72
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C1	REAL300010890707	0	43	-1.0	-60.06	357.32	5.50	-54.56
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890708	0	35	-1.0	-44.44	312.63	3.52	-40.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010890709	0	43	-1.0	-48.48	374.67	9.09	-39.39
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890710	0	35	-1.0	-42.48	304.26	5.95	-36.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010890711	0	42	-1.0	-54.79	334.53	8.17	-46.62
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890712	0	38	-1.0	-53.69	335.74	6.98	-46.71
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890713	0	39	-1.0	-53.37	342.74	5.67	-47.70
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010890714	0	38	-1.0	-51.73	330.01	6.57	-45.16
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1F	REAL300010890715	0	35	-1.0	-47.22	301.51	5.59	-41.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010890716	0	31	-1.0	-54.29	292.87	3.59	-50.70
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890717	0	41	-1.0	-46.71	338.63	4.06	-42.65
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010890718	0	38	-1.0	-61.46	328.06	3.37	-58.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)C1	REAL300010890719	0	39	-1.0	-49.55	349.59	4.28	-45.27
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)OC=C1	REAL300010890720	0	35	-1.0	-54.87	310.35	4.01	-50.86
CCC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300010890721	0	45	-1.0	-50.65	349.04	6.09	-44.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010890722	0	38	-1.0	-48.43	345.09	6.90	-41.53
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890723	0	40	-1.0	-51.15	344.79	5.97	-45.18
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300010890724	0	34	-1.0	-59.02	297.84	3.82	-55.20
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890725	0	35	-1.0	-42.50	313.39	6.36	-36.14
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010890726	0	41	-1.0	-55.33	323.39	8.03	-47.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010890727	0	39	-1.0	-48.39	334.44	4.71	-43.68
N#CCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890728	0	36	-1.0	-58.43	308.63	6.43	-52.00
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2NC1=O	REAL300010890729	0	41	-1.0	-51.12	345.12	4.74	-46.38
CN1N=NC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890730	0	37	-1.0	-57.43	317.74	3.48	-53.95
CC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010890731	0	41	-1.0	-56.37	356.99	6.45	-49.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010890732	0	32	-1.0	-57.05	279.19	2.13	-54.92
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010890733	0	37	-1.0	-44.64	319.12	6.07	-38.57
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010890734	0	38	-1.0	-52.63	331.56	6.40	-46.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1	REAL300010890735	0	44	0.0	-72.55	342.62	5.90	-66.65
C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890736	0	49	0.0	-71.99	375.90	4.22	-67.77
CN1CCN(CCCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890736	1	48	-1.0	-50.12	372.98	1.85	-48.27
CN1N=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1Br	REAL300010890737	0	32	-1.0	-49.15	292.07	2.95	-46.20
CN1N=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1I	REAL300010890738	0	32	-1.0	-48.08	295.25	3.30	-44.78
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890739	0	36	-1.0	-57.37	307.11	6.09	-51.28
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890740	0	41	-1.0	-49.19	343.04	3.59	-45.60
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300010890741	0	44	-1.0	-52.57	357.36	5.63	-46.94
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(OC)C=C1F	REAL300010890742	0	42	-1.0	-51.23	357.54	5.52	-45.71
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890743	0	42	-1.0	-57.84	343.19	5.85	-51.99
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890744	0	36	-1.0	-52.76	303.75	5.11	-47.65
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010890745	0	48	-1.0	-48.34	384.02	7.24	-41.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890746	0	44	-1.0	-46.14	352.28	7.24	-38.90
N#CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890747	0	33	-1.0	-49.98	301.13	5.49	-44.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010890748	0	35	-1.0	-50.11	317.41	6.27	-43.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010890749	0	51	-1.0	-50.40	399.70	9.55	-40.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300010890750	0	36	-1.0	-51.23	303.21	4.79	-46.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010890751	0	29	-1.0	-51.41	274.55	2.95	-48.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010890752	0	40	-1.0	-57.01	342.72	5.84	-51.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010890753	0	31	-1.0	-49.49	292.63	3.91	-45.58
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010890754	0	31	-1.0	-54.39	288.28	3.51	-50.88
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)N=C2F)C1	REAL300010890755	0	31	-1.0	-54.79	277.81	3.02	-51.77
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890756	0	35	-1.0	-47.91	315.86	2.84	-45.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010890757	0	37	-1.0	-54.66	329.55	5.85	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010890758	0	34	-1.0	-50.03	313.61	4.90	-45.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010890759	0	42	-1.0	-55.69	362.36	5.81	-49.88
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N=S2(=O)CCCC2)C1	REAL300010890760	0	36	-1.0	-69.66	304.78	2.28	-67.38
CC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1(Cl)Cl	REAL300010890761	0	35	-1.0	-50.93	312.03	5.77	-45.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010890762	0	31	-1.0	-52.69	302.15	3.40	-49.29
CCS(=O)(CC)=NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890763	0	38	-1.0	-69.67	318.26	2.60	-67.07
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010890764	0	34	-1.0	-52.64	304.25	6.06	-46.58
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010890765	0	40	-1.0	-52.92	326.35	4.37	-48.55
CCN1CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O	REAL300010890766	0	39	-1.0	-55.42	319.42	3.66	-51.76
CCOC(=O)C1(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1	REAL300010890767	0	41	-1.0	-50.20	328.32	5.50	-44.70
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300010890768	0	43	-1.0	-58.29	359.22	1.65	-56.64
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010890769	0	33	-1.0	-48.19	319.02	4.13	-44.06
COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890770	0	41	-1.0	-52.04	352.67	6.40	-45.64
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010890771	0	35	-1.0	-50.15	322.77	6.08	-44.07
CN1N=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010890772	0	35	-1.0	-50.78	296.36	3.23	-47.55
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890773	0	42	-1.0	-49.72	332.54	5.16	-44.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2Br)C1	REAL300010890774	0	29	-1.0	-51.90	274.83	4.24	-47.66
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010890775	0	44	-1.0	-53.92	346.37	5.40	-48.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010890776	0	42	-1.0	-52.74	341.30	5.38	-47.36
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890777	0	35	-1.0	-51.40	300.44	3.66	-47.74
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(Br)=N1	REAL300010890778	0	32	-1.0	-55.43	293.97	3.02	-52.41
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010890779	0	34	-1.0	-52.04	309.04	4.10	-47.94
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890780	0	39	-1.0	-54.18	332.19	5.17	-49.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010890781	0	46	-1.0	-55.51	379.98	6.22	-49.29
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010890782	0	32	-2.0	-105.87	282.75	3.69	-102.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010890782	1	33	-1.0	-49.88	283.59	2.98	-46.90
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890783	0	42	-1.0	-50.56	351.06	7.81	-42.75
COC(=O)C1=CNN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890784	0	35	-1.0	-58.66	306.35	2.56	-56.10
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890785	0	35	-1.0	-42.50	313.38	6.36	-36.14
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890786	0	38	-1.0	-52.57	310.82	3.78	-48.79
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890787	0	37	-1.0	-59.19	319.85	5.49	-53.70
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890788	0	41	-1.0	-68.95	337.46	3.03	-65.92
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010890789	0	54	-1.0	-49.70	427.05	8.83	-40.87
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C#N)=C1	REAL300010890790	0	36	-1.0	-61.88	304.75	5.67	-56.21
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890791	0	36	-1.0	-52.57	300.86	6.05	-46.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010890792	0	35	-1.0	-45.79	313.26	5.94	-39.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)C1	REAL300010890793	0	43	-1.0	-54.89	355.02	5.35	-49.54
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010890794	0	36	-1.0	-48.12	322.72	6.70	-41.42
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010890795	0	54	-1.0	-48.11	418.07	8.70	-39.41
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1CC	REAL300010890796	0	48	-1.0	-48.25	388.61	7.50	-40.75
N#CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890797	0	39	-1.0	-55.93	337.63	6.99	-48.94
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890798	0	38	-1.0	-47.20	313.38	6.93	-40.27
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890799	0	46	-1.0	-59.99	368.57	4.69	-55.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010890800	0	35	-1.0	-53.35	329.50	6.75	-46.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010890801	0	35	-1.0	-54.37	320.37	6.33	-48.04
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010890802	0	42	-1.0	-53.71	356.25	6.96	-46.75
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890803	0	38	-1.0	-51.74	333.19	7.01	-44.73
CC1=CN=C(Cl)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890804	0	34	-1.0	-53.88	297.34	4.07	-49.81
COC1=CC=C(Br)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010890805	0	36	-1.0	-50.03	319.63	5.12	-44.91
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890806	0	42	-1.0	-49.99	348.70	7.34	-42.65
CC(C)(CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1	REAL300010890807	0	44	-1.0	-48.83	338.39	6.43	-42.40
CCOC(=O)C1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N(C)N=C1	REAL300010890808	0	41	-1.0	-56.11	340.45	4.86	-51.25
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010890809	0	36	-1.0	-51.14	320.24	6.61	-44.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCC2=CC=CC=C2)C1	REAL300010890810	0	41	-1.0	-51.15	341.13	7.28	-43.87
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010890811	0	37	-1.0	-54.35	310.89	1.94	-52.41
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010890812	0	36	-1.0	-49.63	308.54	0.46	-49.17
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890813	0	41	-1.0	-52.07	329.71	7.68	-44.39
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010890814	0	44	-1.0	-56.45	379.76	6.63	-49.82
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890815	0	45	-1.0	-53.54	365.17	5.23	-48.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010890816	0	41	-1.0	-57.49	335.98	5.74	-51.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010890817	0	32	-1.0	-57.24	290.43	5.10	-52.14
COC(=O)C1=CC=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890818	0	37	-1.0	-54.88	325.65	3.76	-51.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010890819	0	38	-1.0	-49.35	325.77	6.58	-42.77
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890820	0	48	-1.0	-50.90	389.79	7.89	-43.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010890821	0	37	-1.0	-53.85	303.87	5.52	-48.33
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890822	0	52	-1.0	-61.28	400.60	7.42	-53.86
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890823	0	39	-1.0	-53.70	331.29	5.10	-48.60
N#CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=CS1	REAL300010890824	0	30	-1.0	-59.64	279.04	4.19	-55.45
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300010890825	0	46	-1.0	-50.89	369.62	5.06	-45.83
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010890826	0	47	-1.0	-69.86	384.58	7.68	-62.18
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300010890827	0	46	-1.0	-60.50	374.68	6.97	-53.53
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890828	0	35	-1.0	-54.41	296.21	2.24	-52.17
CCC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890829	0	43	-1.0	-49.44	331.50	5.45	-43.99
O=C([O-])C1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300010890830	0	39	-2.0	-100.06	319.35	4.72	-95.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300010890831	0	39	-1.0	-53.44	323.75	4.71	-48.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300010890832	0	39	-1.0	-48.77	321.10	4.92	-43.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010890833	0	42	-1.0	-49.70	344.87	5.59	-44.11
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010890834	0	44	-1.0	-51.02	358.44	7.82	-43.20
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890835	0	45	-1.0	-55.39	374.88	6.43	-48.96
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890836	0	42	-1.0	-59.27	350.51	6.11	-53.16
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=NN2C1	REAL300010890837	0	43	-1.0	-53.81	348.90	3.04	-50.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010890838	0	38	-1.0	-50.33	340.93	5.91	-44.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010890839	0	38	-1.0	-49.51	324.78	2.21	-47.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010890840	0	29	-1.0	-48.71	278.19	3.60	-45.11
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300010890841	0	39	-1.0	-53.73	314.85	4.99	-48.74
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890842	0	36	-1.0	-48.35	319.77	4.58	-43.77
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300010890843	0	36	-1.0	-50.91	311.96	4.33	-46.58
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010890844	0	57	-1.0	-49.71	448.55	9.61	-40.10
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300010890845	0	48	-1.0	-51.19	371.18	6.98	-44.21
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890846	0	42	-1.0	-51.50	338.88	6.34	-45.16
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010890847	0	55	-1.0	-52.21	439.53	7.46	-44.75
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890848	0	35	-1.0	-49.45	292.65	5.51	-43.94
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2O1	REAL300010890849	0	40	-1.0	-56.94	329.88	5.63	-51.31
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890850	0	40	-1.0	-49.05	342.76	4.67	-44.38
N#CC1(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300010890851	0	40	-1.0	-52.90	342.10	7.24	-45.66
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890852	0	36	-1.0	-51.78	312.13	5.62	-46.16
CC1=C(Br)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C)S1	REAL300010890853	0	35	-1.0	-44.84	313.91	6.26	-38.58
CC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(Br)=C1	REAL300010890854	0	35	-1.0	-49.85	317.10	6.91	-42.94
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=N1	REAL300010890855	0	37	-1.0	-47.46	325.00	3.84	-43.62
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300010890856	0	49	-1.0	-65.17	382.43	6.94	-58.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010890857	0	38	-1.0	-50.77	325.31	5.53	-45.24
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300010890858	0	46	-1.0	-68.01	373.31	6.64	-61.37
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2Cl)C1	REAL300010890859	0	29	-1.0	-52.30	272.75	4.18	-48.12
CN1N=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890860	0	32	-1.0	-47.70	297.16	3.10	-44.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010890861	0	34	-1.0	-46.26	308.20	4.19	-42.07
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890862	0	37	-1.0	-59.75	314.56	4.63	-55.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300010890863	0	41	-1.0	-48.24	320.01	4.96	-43.28
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300010890864	0	36	-1.0	-49.31	324.48	5.40	-43.91
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300010890865	0	33	-1.0	-46.98	288.77	3.81	-43.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010890866	0	35	-1.0	-61.85	318.09	4.72	-57.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010890867	0	35	-1.0	-49.45	313.17	6.43	-43.02
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890868	0	39	-1.0	-49.56	321.84	4.61	-44.95
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300010890869	0	41	-1.0	-49.43	319.55	6.99	-42.44
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010890870	0	40	-1.0	-54.37	326.59	4.87	-49.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010890871	0	41	-1.0	-53.14	342.42	2.22	-50.92
N#CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300010890872	0	33	-1.0	-45.39	314.58	5.88	-39.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300010890873	0	35	-1.0	-53.74	301.23	5.23	-48.51
COC1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300010890874	0	40	-1.0	-52.51	334.96	5.25	-47.26
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890875	0	35	-1.0	-50.86	332.49	4.41	-46.45
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010890876	0	45	-1.0	-53.55	355.15	5.62	-47.93
N#CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010890877	0	36	-1.0	-55.88	323.61	6.87	-49.01
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010890878	0	39	-1.0	-51.18	315.77	4.39	-46.79
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890879	0	34	-2.0	-96.60	304.70	5.52	-91.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010890880	0	36	-1.0	-53.39	313.13	4.61	-48.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300010890881	0	36	-1.0	-50.07	324.53	5.41	-44.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010890882	0	35	-1.0	-54.57	303.32	4.21	-50.36
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C21	REAL300010890883	0	37	-1.0	-68.02	317.96	3.43	-64.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300010890884	0	35	-1.0	-53.74	301.23	5.23	-48.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010890885	0	32	-2.0	-103.82	309.04	4.64	-99.18
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300010890886	0	38	-1.0	-50.30	317.06	6.45	-43.85
CC1(C)CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300010890887	0	43	-1.0	-49.00	324.81	5.35	-43.65
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010890888	0	38	-1.0	-49.23	342.32	6.12	-43.11
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010890889	0	35	-1.0	-50.90	301.96	5.17	-45.73
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010890890	0	42	-1.0	-53.33	337.75	5.14	-48.19
O=C([O-])[C@@H]1CCCN(S(=O)(=O)NCCC2=CC=CC=C2)C1	REAL300010890891	0	40	-1.0	-49.59	332.52	4.90	-44.69
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890892	0	50	-1.0	-51.36	381.88	8.87	-42.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010890893	0	38	-1.0	-51.82	345.27	6.86	-44.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)SC=C2)C1	REAL300010890894	0	29	-1.0	-50.68	273.56	4.31	-46.37
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010890895	0	42	-1.0	-54.39	347.94	5.68	-48.71
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010890896	0	36	-1.0	-49.97	308.33	6.10	-43.87
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010890897	0	43	-1.0	-53.65	368.65	7.87	-45.78
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890898	0	45	-1.0	-56.91	363.68	3.43	-53.48
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010890899	0	41	-1.0	-62.70	339.49	6.19	-56.51
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890900	0	41	-1.0	-51.46	338.26	7.24	-44.22
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890901	0	38	-1.0	-46.36	327.21	3.24	-43.12
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890902	0	33	-1.0	-58.40	289.66	5.07	-53.33
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890903	0	39	-1.0	-50.70	317.57	4.51	-46.19
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010890904	0	36	-1.0	-47.36	330.54	6.34	-41.02
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300010890905	0	44	-1.0	-50.32	374.73	7.90	-42.42
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890906	0	41	-1.0	-49.09	319.36	4.75	-44.34
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300010890907	0	41	-1.0	-50.46	338.36	4.75	-45.71
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300010890908	0	39	-1.0	-52.18	314.59	3.82	-48.36
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010890909	0	37	-1.0	-46.13	325.33	4.82	-41.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010890910	0	35	-1.0	-47.93	319.34	6.11	-41.82
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(CF)C=C2)C1	REAL300010890911	0	35	-1.0	-51.60	301.88	5.85	-45.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010890912	0	32	-1.0	-48.48	292.81	5.19	-43.29
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010890913	0	32	-1.0	-50.08	306.08	5.12	-44.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(F)(F)CC2)C1	REAL300010890914	0	37	-1.0	-48.79	303.54	4.30	-44.49
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890915	0	42	-1.0	-54.84	356.04	4.06	-50.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010890916	0	29	-1.0	-51.34	278.23	3.76	-47.58
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010890917	0	35	-1.0	-44.61	325.96	6.41	-38.20
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010890918	0	35	-1.0	-51.97	298.09	6.29	-45.68
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890919	0	43	-1.0	-51.63	358.64	7.02	-44.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010890920	0	43	-1.0	-48.92	342.57	7.98	-40.94
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890921	0	42	-1.0	-52.90	354.09	6.72	-46.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010890922	0	38	-1.0	-48.60	336.54	6.04	-42.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300010890923	0	38	-1.0	-48.89	316.50	5.43	-43.46
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890924	0	37	-1.0	-49.02	328.88	5.54	-43.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010890925	0	39	-1.0	-58.51	326.92	3.38	-55.13
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890926	0	42	-1.0	-49.82	370.09	5.80	-44.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010890927	0	32	-1.0	-49.77	300.66	5.85	-43.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010890928	0	32	-1.0	-53.65	295.66	5.22	-48.43
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300010890929	0	39	-1.0	-49.11	323.55	7.10	-42.01
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=CS1	REAL300010890930	0	33	-1.0	-51.94	294.64	3.49	-48.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010890931	0	35	-1.0	-49.56	301.67	6.29	-43.27
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890932	0	38	-1.0	-50.10	340.51	5.35	-44.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010890933	0	39	-1.0	-54.36	325.52	7.07	-47.29
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010890934	0	42	-1.0	-49.04	340.33	5.52	-43.52
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890935	0	41	-1.0	-49.14	334.99	4.88	-44.26
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890936	0	41	-1.0	-55.77	345.10	2.54	-53.23
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890937	0	35	-1.0	-54.44	328.02	1.49	-52.95
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300010890938	0	41	-1.0	-55.77	345.10	2.54	-53.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CS2)C1	REAL300010890939	0	33	-1.0	-48.26	297.96	5.33	-42.93
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010890940	0	35	-1.0	-54.06	302.33	6.49	-47.57
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890941	0	44	-1.0	-61.83	366.74	9.19	-52.64
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890942	0	46	-1.0	-49.21	339.29	5.82	-43.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010890943	0	32	-1.0	-51.93	297.75	4.26	-47.67
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890944	0	36	-1.0	-48.40	311.06	4.97	-43.43
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010890945	0	46	-1.0	-53.39	365.09	3.88	-49.51
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890946	0	38	-1.0	-50.69	327.28	6.52	-44.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010890947	0	36	-1.0	-53.08	313.11	4.61	-48.47
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010890948	0	47	-1.0	-50.54	369.80	7.65	-42.89
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300010890949	0	33	-1.0	-47.85	297.85	3.44	-44.41
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010890950	0	43	-1.0	-60.43	336.10	6.98	-53.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010890951	0	40	-1.0	-50.40	329.38	5.13	-45.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300010890952	0	35	-1.0	-53.42	306.56	3.73	-49.69
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890953	0	42	-1.0	-53.02	350.78	5.72	-47.30
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300010890954	0	41	-1.0	-55.15	349.99	6.88	-48.27
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890955	0	42	-1.0	-50.21	353.48	6.24	-43.97
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010890956	0	45	-1.0	-49.75	360.25	5.98	-43.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010890957	0	43	-1.0	-51.27	364.29	7.95	-43.32
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300010890958	0	35	-1.0	-51.42	285.46	5.46	-45.96
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890959	0	44	-1.0	-58.27	363.59	7.73	-50.54
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300010890960	0	38	-1.0	-47.50	331.78	6.74	-40.76
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010890961	0	37	-1.0	-48.83	331.92	6.37	-42.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010890962	0	31	-1.0	-53.25	297.91	3.30	-49.95
N#CC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1F	REAL300010890963	0	33	-1.0	-48.81	295.32	5.26	-43.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010890964	0	36	-1.0	-55.64	312.81	4.52	-51.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2[O-])C1	REAL300010890965	0	32	-2.0	-105.87	282.75	3.69	-102.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2O)C1	REAL300010890965	1	33	-1.0	-49.88	283.59	2.98	-46.90
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010890966	0	38	-1.0	-48.73	348.19	6.21	-42.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010890967	0	31	-1.0	-45.53	291.69	3.63	-41.90
N#CC1(OCCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCOCC1	REAL300010890968	0	44	-1.0	-55.84	357.94	2.76	-53.08
CCN1N=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1Cl	REAL300010890969	0	35	-1.0	-49.57	311.90	3.81	-45.76
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010890970	0	36	-1.0	-51.13	324.25	6.69	-44.44
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)=C2	REAL300010890971	0	38	-1.0	-50.76	358.95	6.25	-44.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010890972	0	32	-1.0	-49.55	303.66	5.93	-43.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010890973	0	34	-1.0	-54.59	311.92	4.19	-50.40
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010890974	0	37	-1.0	-57.52	326.45	6.02	-51.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010890975	0	37	-1.0	-53.72	321.82	5.69	-48.03
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010890976	0	34	-1.0	-54.59	311.92	4.19	-50.40
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010890977	0	41	-1.0	-53.71	326.54	7.85	-45.86
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890978	0	36	-1.0	-56.09	325.92	5.99	-50.10
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010890979	0	39	-1.0	-52.15	331.81	5.40	-46.75
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300010890980	0	46	-1.0	-51.42	378.44	6.55	-44.87
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010890981	0	32	-1.0	-44.58	296.93	5.44	-39.14
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300010890982	0	38	-1.0	-61.76	336.92	1.16	-60.60
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010890983	0	42	-1.0	-53.33	346.08	6.17	-47.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010890984	0	38	-1.0	-53.19	346.07	2.38	-50.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300010890985	0	36	-1.0	-51.02	312.21	6.27	-44.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010890986	0	36	-1.0	-48.15	327.29	6.81	-41.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010890987	0	36	-1.0	-50.51	327.09	6.83	-43.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010890988	0	37	-1.0	-55.57	317.69	-1.06	-56.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300010890989	0	35	-1.0	-55.76	300.88	5.40	-50.36
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300010890990	0	38	-1.0	-54.33	308.66	5.52	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010890991	0	34	-1.0	-55.08	304.79	4.42	-50.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300010890992	0	40	-1.0	-50.38	329.18	2.20	-48.18
CC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010890993	0	41	-1.0	-56.48	350.04	4.00	-52.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010890994	0	49	-1.0	-49.52	351.13	7.89	-41.63
CC1(C)COC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300010890995	0	42	-1.0	-50.74	334.82	4.27	-46.47
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300010890996	0	35	-1.0	-56.27	305.10	0.70	-55.57
CC(C)(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)(F)F	REAL300010890997	0	40	-1.0	-49.64	313.12	5.48	-44.16
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300010890998	0	40	-1.0	-60.99	344.86	1.83	-59.16
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)OC1	REAL300010890999	0	45	-1.0	-49.48	348.86	5.15	-44.33
CCOC(=O)C1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C2C=CC=CN21	REAL300010891000	0	44	-1.0	-61.20	376.43	6.72	-54.48
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300010891721	0	39	-1.0	-50.04	298.63	5.23	-44.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010891722	0	39	-1.0	-60.59	325.24	6.23	-54.36
COC(=O)C1CCCCC1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891723	0	44	-1.0	-62.16	335.54	7.20	-54.96
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891724	0	47	-1.0	-55.26	360.11	7.27	-47.99
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891725	0	40	-1.0	-56.50	330.38	7.57	-48.93
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891726	0	39	-1.0	-65.07	316.74	4.46	-60.61
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891727	0	40	-1.0	-44.92	310.70	6.95	-37.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010891728	0	37	-1.0	-56.85	315.28	6.03	-50.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010891729	0	32	-1.0	-50.32	288.16	6.75	-43.57
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010891730	0	34	-1.0	-66.44	276.83	6.83	-59.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010891731	0	29	-1.0	-56.05	268.49	5.07	-50.98
N#CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	REAL300010891732	0	42	-1.0	-62.75	317.94	6.59	-56.16
CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	REAL300010891733	0	44	-1.0	-53.21	312.74	7.17	-46.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010891734	0	34	-1.0	-62.59	288.02	6.38	-56.21
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891735	0	36	-1.0	-53.88	310.34	5.61	-48.27
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1C	REAL300010891736	0	42	-1.0	-50.75	343.53	6.63	-44.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010891737	0	45	-1.0	-62.43	374.46	6.79	-55.64
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C12	REAL300010891738	0	39	-1.0	-45.23	320.86	3.40	-41.83
CCC1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891739	0	34	-1.0	-54.07	290.59	4.22	-49.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010891740	0	44	-1.0	-55.66	345.14	7.07	-48.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010891741	0	32	-1.0	-61.22	280.15	6.63	-54.59
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Cl)=N1	REAL300010891742	0	34	-1.0	-48.85	280.08	4.39	-44.46
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891743	0	37	-1.0	-51.36	304.92	5.82	-45.54
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010891744	0	39	-1.0	-52.70	320.96	7.15	-45.55
CSC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891745	0	36	-1.0	-56.29	316.10	7.16	-49.13
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891746	0	34	-1.0	-58.53	299.52	6.04	-52.49
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891747	0	42	-1.0	-59.22	346.18	2.26	-56.96
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN=C1Cl	REAL300010891748	0	35	-1.0	-45.85	301.66	3.67	-42.18
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891749	0	37	-1.0	-59.60	301.34	6.04	-53.56
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300010891750	0	41	-1.0	-61.72	336.82	6.65	-55.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010891751	0	47	-1.0	-48.47	372.92	5.93	-42.54
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010891752	0	31	-1.0	-43.10	281.77	5.47	-37.63
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891753	0	50	0.0	-75.47	378.20	7.01	-68.46
CCC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891754	0	41	-1.0	-54.69	329.53	7.86	-46.83
CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891755	0	38	-1.0	-56.83	313.39	7.15	-49.68
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891756	0	35	-1.0	-51.35	285.09	6.45	-44.90
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010891757	0	36	-1.0	-54.35	289.58	5.16	-49.19
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010891758	0	32	-1.0	-46.85	283.78	6.10	-40.75
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891759	0	40	-1.0	-61.96	314.12	6.17	-55.79
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300010891760	0	59	-1.0	-54.86	449.29	10.39	-44.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010891761	0	41	-1.0	-57.79	324.95	7.08	-50.71
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891762	0	35	-1.0	-57.97	283.47	6.94	-51.03
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891763	0	46	-1.0	-57.90	377.24	6.62	-51.28
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891764	0	33	-1.0	-52.11	283.76	6.00	-46.11
CC1=NC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CS1	REAL300010891765	0	34	-1.0	-53.27	293.19	4.10	-49.17
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010891766	0	35	-1.0	-48.28	304.08	4.66	-43.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010891767	0	38	-1.0	-53.77	328.14	8.49	-45.28
COC(=O)CCCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891768	0	43	-1.0	-56.36	346.67	6.55	-49.81
CN1N=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CN=C21	REAL300010891769	0	37	-1.0	-50.74	305.22	4.81	-45.93
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891770	0	40	-1.0	-60.78	327.12	3.84	-56.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010891772	0	35	-1.0	-47.43	316.37	7.20	-40.23
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891773	0	43	-1.0	-54.06	332.57	3.97	-50.09
COC1=C(F)C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891774	0	38	-1.0	-52.50	323.07	6.52	-45.98
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891775	0	42	-1.0	-54.20	350.53	4.73	-49.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010891776	0	43	-1.0	-68.37	359.28	7.48	-60.89
COC1=CC=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891777	0	42	-1.0	-53.62	337.70	6.52	-47.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010891778	0	35	-1.0	-48.18	298.45	4.50	-43.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010891779	0	43	-1.0	-53.90	344.02	7.03	-46.87
CC1=CC=NC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010891780	0	40	-1.0	-60.86	313.57	7.12	-53.74
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010891781	0	35	-1.0	-63.75	293.97	6.64	-57.11
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010891782	0	35	-1.0	-45.61	301.23	6.48	-39.13
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891783	0	35	-1.0	-54.64	303.61	6.97	-47.67
CSC1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891784	0	36	-1.0	-57.00	285.63	6.03	-50.97
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891785	0	43	-1.0	-52.44	331.56	5.14	-47.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010891786	0	44	-1.0	-64.06	351.02	4.96	-59.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010891787	0	40	-1.0	-53.56	330.23	6.90	-46.66
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891788	0	42	-1.0	-54.20	350.53	4.73	-49.47
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891789	0	40	-1.0	-55.24	308.93	6.04	-49.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010891790	0	35	-1.0	-47.80	309.26	7.01	-40.79
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(OC)=C1	REAL300010891791	0	42	-1.0	-52.99	338.85	6.08	-46.91
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=CS1	REAL300010891792	0	38	-1.0	-63.28	306.33	6.43	-56.85
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300010891793	0	36	-1.0	-50.94	296.63	5.07	-45.87
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891794	0	43	-1.0	-59.43	342.82	5.76	-53.67
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891795	0	46	-1.0	-57.82	366.83	6.61	-51.21
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891796	0	41	-1.0	-55.88	301.17	6.94	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010891797	0	46	-1.0	-56.65	363.14	8.71	-47.94
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891798	0	40	-1.0	-58.06	331.59	7.50	-50.56
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891799	0	44	0.0	-77.11	338.77	7.56	-69.55
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891800	0	40	-1.0	-56.60	311.74	5.96	-50.64
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300010891801	0	47	-1.0	-53.59	383.24	8.37	-45.22
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010891802	0	35	-1.0	-50.95	298.35	6.29	-44.66
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891803	0	44	-1.0	-66.12	340.34	7.42	-58.70
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010891804	0	32	-1.0	-42.74	285.11	6.17	-36.57
CC1=C(Cl)SC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891805	0	32	-1.0	-48.22	289.21	5.88	-42.34
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010891806	0	38	-1.0	-57.94	304.92	6.20	-51.74
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891807	0	36	-1.0	-51.28	291.93	4.78	-46.50
CC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010891808	0	40	-1.0	-64.87	309.47	8.43	-56.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010891809	0	38	-1.0	-55.91	321.90	7.47	-48.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010891810	0	42	-1.0	-49.05	337.25	8.00	-41.05
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891811	0	35	-1.0	-52.11	290.74	6.49	-45.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010891812	0	37	-1.0	-59.96	302.07	6.01	-53.95
CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891813	0	38	-1.0	-53.15	313.38	7.14	-46.01
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010891814	0	40	-1.0	-64.09	310.15	7.06	-57.03
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010891815	0	32	-1.0	-47.23	280.30	6.18	-41.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010891816	0	42	-1.0	-49.05	337.25	8.00	-41.05
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010891817	0	31	-1.0	-46.18	277.98	4.32	-41.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010891818	0	32	-1.0	-50.02	295.31	6.57	-43.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010891819	0	43	-1.0	-53.45	357.42	5.46	-47.99
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010891820	0	32	-1.0	-51.36	282.47	5.96	-45.40
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891821	0	42	-1.0	-67.78	326.24	7.25	-60.53
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891822	0	35	-1.0	-53.28	288.07	2.32	-50.96
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C#N	REAL300010891823	0	36	-1.0	-49.64	299.50	6.60	-43.04
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891824	0	38	-1.0	-57.45	318.46	6.18	-51.27
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891825	0	36	-1.0	-57.10	300.76	5.91	-51.19
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010891826	0	33	-1.0	-46.63	288.04	4.40	-42.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010891827	0	45	-1.0	-52.13	351.51	8.98	-43.15
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=NO1	REAL300010891828	0	43	-1.0	-52.08	344.75	6.43	-45.65
O=C([O-])[C@H]1CCCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010891829	0	49	-1.0	-67.73	359.22	11.76	-55.97
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300010891830	0	46	-1.0	-59.16	351.95	7.68	-51.48
COC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891831	0	39	-1.0	-61.17	293.33	5.12	-56.05
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891832	0	37	-1.0	-50.79	309.56	4.53	-46.26
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010891833	0	33	-1.0	-51.39	301.40	6.58	-44.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010891834	0	34	-1.0	-50.37	303.79	6.68	-43.69
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891835	0	39	-1.0	-57.54	309.34	5.67	-51.87
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891836	0	38	-1.0	-50.17	336.68	6.30	-43.87
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891837	0	39	-1.0	-58.18	309.67	5.45	-52.73
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010891838	0	40	-1.0	-51.78	321.67	4.84	-46.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010891839	0	36	-1.0	-54.87	304.63	5.14	-49.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010891840	0	35	-1.0	-52.23	305.21	6.74	-45.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300010891841	0	43	-1.0	-55.23	350.70	2.78	-52.45
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2S1	REAL300010891842	0	44	-1.0	-51.63	375.52	8.73	-42.90
N#CCC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891843	0	36	-1.0	-58.31	302.04	6.87	-51.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010891844	0	38	-1.0	-58.04	315.08	4.86	-53.18
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300010891845	0	37	-1.0	-56.48	317.59	1.30	-55.18
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300010891846	0	38	-1.0	-49.57	317.14	6.14	-43.43
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891847	0	40	-1.0	-65.52	326.09	6.89	-58.63
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(Br)=C1	REAL300010891848	0	36	-1.0	-50.76	294.92	5.04	-45.72
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])OCO2	REAL300010891849	0	38	-1.0	-58.71	289.46	4.48	-54.23
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891850	0	38	-1.0	-59.52	310.71	6.51	-53.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010891851	0	32	-1.0	-46.34	279.86	6.13	-40.21
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891852	0	38	-1.0	-43.74	279.57	6.29	-37.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010891853	0	32	-1.0	-50.29	282.05	6.23	-44.06
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])OCC(=O)N2	REAL300010891854	0	42	-1.0	-58.91	334.42	2.62	-56.29
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010891855	0	34	-1.0	-48.05	306.87	6.65	-41.40
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891856	0	30	-1.0	-46.87	272.75	5.24	-41.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010891857	0	34	-1.0	-43.19	303.06	6.53	-36.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010891858	0	32	-1.0	-53.18	293.09	7.17	-46.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010891859	0	33	-1.0	-52.26	283.74	3.95	-48.31
COC1=CN=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891860	0	35	-1.0	-54.52	284.22	3.17	-51.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010891861	0	32	-1.0	-47.87	283.15	6.08	-41.79
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300010891862	0	42	-1.0	-54.65	343.00	6.41	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010891863	0	32	-1.0	-46.20	282.18	6.24	-39.96
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010891864	0	35	-1.0	-50.62	303.35	6.93	-43.69
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891865	0	35	-1.0	-64.42	305.12	3.10	-61.32
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891865	1	34	-2.0	-111.18	301.82	1.98	-109.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010891866	0	35	-1.0	-50.61	307.92	7.03	-43.58
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891867	0	36	-1.0	-63.32	310.80	2.99	-60.33
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891868	0	41	-1.0	-68.53	325.68	8.05	-60.48
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891869	0	40	-1.0	-63.46	318.63	3.36	-60.10
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891870	0	36	-1.0	-63.12	315.37	3.09	-60.03
CCOC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891871	0	39	-1.0	-53.79	312.18	5.91	-47.88
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=C2O1	REAL300010891872	0	43	-1.0	-58.21	336.42	6.84	-51.37
N#CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010891873	0	36	-1.0	-53.18	317.57	6.87	-46.31
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891874	0	41	-1.0	-56.14	326.95	4.31	-51.83
CC1=CC=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891875	0	41	-1.0	-53.14	329.60	7.90	-45.24
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891876	0	39	-1.0	-56.56	332.88	6.28	-50.28
N#CC1CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCO1	REAL300010891877	0	36	-1.0	-50.29	291.17	2.89	-47.40
CCN(CC(C)C#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891878	0	40	-1.0	-43.91	303.68	5.51	-38.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010891879	0	35	-1.0	-53.38	285.93	4.20	-49.18
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891880	0	33	-1.0	-45.93	286.38	5.92	-40.01
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891881	0	33	-1.0	-48.93	287.83	6.01	-42.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891882	0	38	-1.0	-51.04	302.10	6.79	-44.25
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010891883	0	38	-1.0	-64.82	311.15	6.61	-58.21
COCCOCCOCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891884	0	46	-1.0	-57.38	371.35	3.02	-54.36
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891885	0	42	-1.0	-63.30	344.74	2.91	-60.39
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010891886	0	32	-1.0	-59.35	291.16	6.77	-52.58
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2CC1	REAL300010891887	0	49	-1.0	-59.58	373.98	7.65	-51.93
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010891888	0	41	-1.0	-57.56	345.85	7.16	-50.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1OC	REAL300010891889	0	42	-1.0	-57.45	352.76	7.05	-50.40
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891890	0	41	-1.0	-52.99	327.40	7.82	-45.17
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891891	0	41	-1.0	-53.37	323.34	7.55	-45.82
CN(C(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010891892	0	39	-1.0	-68.98	296.92	3.74	-65.24
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891893	0	42	-1.0	-54.09	343.12	4.70	-49.39
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010891894	0	32	-1.0	-51.19	279.09	6.00	-45.19
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010891895	0	45	-1.0	-54.21	363.65	7.26	-46.95
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010891896	0	41	-1.0	-48.57	351.45	7.43	-41.14
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010891897	0	34	-1.0	-60.31	309.57	7.61	-52.70
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010891898	0	41	-1.0	-52.97	324.07	2.84	-50.13
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891899	0	40	-1.0	-53.19	326.78	6.88	-46.31
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1OC	REAL300010891900	0	43	-1.0	-62.36	354.41	5.19	-57.17
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010891901	0	44	-1.0	-52.92	355.02	7.60	-45.32
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891902	0	46	-1.0	-57.02	372.38	3.88	-53.14
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891903	0	43	-1.0	-60.17	339.23	5.14	-55.03
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891904	0	45	-1.0	-66.91	360.51	6.98	-59.93
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C	REAL300010891905	0	44	-1.0	-50.89	353.52	7.77	-43.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010891906	0	35	-1.0	-53.88	288.99	6.58	-47.30
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891907	0	44	-1.0	-60.30	359.65	8.04	-52.26
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891908	0	38	-1.0	-44.81	324.41	7.36	-37.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010891909	0	35	-1.0	-51.70	301.71	7.21	-44.49
CC(COC1CCCC1)CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891910	0	48	-1.0	-50.77	363.48	7.04	-43.73
CC1=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])SC=N1	REAL300010891911	0	37	-1.0	-51.38	312.10	4.95	-46.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010891912	0	38	-1.0	-53.51	324.93	7.73	-45.78
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891913	0	41	-1.0	-60.04	338.93	7.04	-53.00
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010891914	0	42	-1.0	-61.17	335.09	9.11	-52.06
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891915	0	46	-1.0	-56.64	380.02	3.47	-53.17
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010891916	0	35	-1.0	-51.99	296.67	6.78	-45.21
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1C	REAL300010891917	0	44	-1.0	-62.45	362.52	6.88	-55.57
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010891918	0	38	-1.0	-64.77	330.89	3.59	-61.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010891919	0	36	-1.0	-58.16	308.26	6.75	-51.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010891920	0	35	-1.0	-57.56	295.06	6.61	-50.95
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891921	0	34	-1.0	-47.75	275.71	4.45	-43.30
CC1=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(Br)N1C	REAL300010891922	0	35	-1.0	-65.30	304.48	5.67	-59.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010891923	0	33	-1.0	-53.18	283.03	4.55	-48.63
COC(=O)C(C)(C)CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891924	0	40	-1.0	-51.42	311.82	5.58	-45.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891925	0	45	-1.0	-73.39	353.57	6.60	-66.79
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010891926	0	35	-2.0	-106.07	300.98	5.16	-100.91
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010891926	1	36	-1.0	-55.92	299.19	4.72	-51.20
CCOC(=O)CC1(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300010891927	0	41	-1.0	-60.49	308.84	6.88	-53.61
N#CC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300010891928	0	33	-1.0	-45.29	302.74	6.37	-38.92
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891929	0	43	-1.0	-57.79	354.13	4.95	-52.84
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010891930	0	47	-1.0	-57.59	374.84	8.43	-49.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891931	0	44	-1.0	-58.98	364.54	4.91	-54.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010891932	0	37	-1.0	-50.48	307.33	2.89	-47.59
COC(=O)C1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCCC1	REAL300010891933	0	44	-1.0	-61.07	329.12	7.15	-53.92
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010891934	0	31	-1.0	-45.54	291.56	4.83	-40.71
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891935	0	39	-1.0	-52.16	331.35	5.93	-46.23
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010891936	0	38	-1.0	-49.78	313.98	7.21	-42.57
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010891937	0	43	-1.0	-51.58	366.66	9.03	-42.55
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891938	0	41	-1.0	-60.44	336.75	7.15	-53.29
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010891939	0	34	-1.0	-57.12	289.19	5.19	-51.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010891940	0	42	-1.0	-54.33	311.56	7.08	-47.25
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010891941	0	38	-1.0	-53.40	325.40	7.68	-45.72
COC(=O)C1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCC1	REAL300010891942	0	41	-1.0	-59.18	325.74	6.14	-53.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010891943	0	32	-1.0	-49.01	293.71	5.97	-43.04
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891944	0	36	-1.0	-58.64	304.30	6.59	-52.05
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891945	0	45	-1.0	-54.33	369.40	6.06	-48.27
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891946	0	48	-1.0	-63.48	392.61	6.99	-56.49
COC(=O)C1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	REAL300010891947	0	47	-1.0	-61.36	337.56	7.72	-53.64
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN=C1C	REAL300010891948	0	40	-1.0	-50.46	326.15	4.92	-45.54
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010891949	0	36	-1.0	-46.04	308.33	5.29	-40.75
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891950	0	41	-1.0	-57.50	352.93	7.79	-49.71
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300010891951	0	33	-1.0	-53.07	287.61	6.12	-46.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1CCOCC1	REAL300010891952	0	42	-1.0	-53.12	320.11	5.00	-48.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010891953	0	48	-1.0	-60.76	395.96	7.57	-53.19
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300010891954	0	35	-1.0	-55.19	289.49	6.33	-48.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010891955	0	34	-1.0	-42.27	298.20	4.79	-37.48
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010891956	0	45	-1.0	-53.89	320.31	7.66	-46.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010891957	0	41	-1.0	-60.34	325.72	7.28	-53.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010891958	0	33	-1.0	-43.48	293.33	4.87	-38.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010891959	0	38	-1.0	-54.25	318.83	7.29	-46.96
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010891960	0	35	-1.0	-47.10	285.07	3.97	-43.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010891961	0	34	-1.0	-53.46	298.25	7.50	-45.96
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(F)C=C1C	REAL300010891962	0	41	-1.0	-52.50	332.93	6.65	-45.85
CC1=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010891963	0	40	-1.0	-49.82	336.14	7.09	-42.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010891964	0	41	-1.0	-53.00	316.14	6.82	-46.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010891965	0	42	-1.0	-52.62	342.20	6.48	-46.14
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010891966	0	59	-1.0	-60.19	424.71	11.76	-48.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010891967	0	37	-1.0	-56.31	310.21	7.01	-49.30
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891968	0	44	-1.0	-52.17	363.31	8.01	-44.16
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891969	0	37	-1.0	-64.64	299.63	5.02	-59.62
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891970	0	39	-1.0	-52.38	329.12	5.98	-46.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010891971	0	39	-1.0	-55.29	310.60	7.74	-47.55
COC1=CC=C2C=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300010891972	0	44	-1.0	-55.52	345.20	7.43	-48.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010891973	0	40	-1.0	-54.88	320.67	6.61	-48.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010891974	0	35	-1.0	-51.15	296.43	6.15	-45.00
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010891975	0	35	-1.0	-56.10	312.86	7.39	-48.71
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010891976	0	35	-1.0	-47.85	313.68	7.10	-40.75
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891977	0	41	-1.0	-67.85	347.32	3.93	-63.92
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010891978	0	35	-1.0	-56.96	287.66	5.87	-51.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300010891979	0	44	-1.0	-51.54	328.97	7.38	-44.16
CC1=CC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300010891980	0	41	-1.0	-57.28	328.34	8.52	-48.76
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010891981	0	29	-1.0	-52.58	266.73	4.94	-47.64
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891982	0	41	-1.0	-58.18	332.17	6.89	-51.29
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010891983	0	47	-1.0	-65.11	382.50	6.24	-58.87
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300010891984	0	45	-1.0	-64.42	356.38	6.00	-58.42
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010891985	0	35	-1.0	-57.43	302.99	6.82	-50.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010891986	0	38	-1.0	-54.90	307.19	7.71	-47.19
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300010891987	0	50	-1.0	-62.64	367.30	10.63	-52.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010891988	0	37	-1.0	-54.16	296.72	5.53	-48.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010891989	0	39	-1.0	-54.40	315.54	5.46	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010891990	0	34	-1.0	-59.22	309.12	5.62	-53.60
COC1=CC(OC)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300010891991	0	40	-1.0	-58.52	329.63	5.28	-53.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010891992	0	40	-1.0	-46.31	330.77	4.25	-42.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300010891993	0	37	-1.0	-64.56	315.09	0.66	-63.90
CC(C)(CCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300010891994	0	43	-1.0	-58.58	336.10	2.81	-55.77
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300010891995	0	36	-1.0	-50.61	306.43	5.56	-45.05
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010891996	0	35	-1.0	-52.61	294.06	2.99	-49.62
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300010891997	0	45	-1.0	-56.94	356.06	6.33	-50.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010891998	0	37	-1.0	-57.67	294.77	5.44	-52.23
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010891999	0	41	-1.0	-61.81	329.84	8.75	-53.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010892000	0	36	-1.0	-56.13	300.17	5.73	-50.40
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300010893088	0	39	-1.0	-51.21	307.29	5.50	-45.71
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010893089	0	39	-1.0	-55.65	325.59	6.27	-49.38
COC(=O)C1CCCCC1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893090	0	44	-1.0	-63.09	335.63	7.23	-55.86
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893091	0	47	-1.0	-60.61	359.78	7.27	-53.34
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893092	0	40	-1.0	-45.27	330.69	7.24	-38.03
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893093	0	39	-1.0	-57.52	316.90	4.58	-52.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893094	0	40	-1.0	-46.92	317.23	7.26	-39.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010893095	0	37	-1.0	-58.63	321.77	6.25	-52.38
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(I)C=C1	REAL300010893096	0	32	-1.0	-51.19	289.02	6.83	-44.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010893097	0	34	-1.0	-65.60	276.12	6.82	-58.78
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010893098	0	29	-1.0	-54.76	266.24	5.03	-49.73
N#CC1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCCCC1	REAL300010893099	0	42	-1.0	-62.79	317.90	6.57	-56.22
CC1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCCCC1	REAL300010893100	0	44	-1.0	-51.95	312.74	7.16	-44.79
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010893101	0	34	-1.0	-64.14	290.63	6.47	-57.67
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893102	0	36	-1.0	-54.39	311.72	5.62	-48.77
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN1C	REAL300010893103	0	42	-1.0	-50.33	343.25	6.61	-43.72
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010893104	0	45	-1.0	-62.43	374.46	6.79	-55.64
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C12	REAL300010893105	0	39	-1.0	-54.86	322.19	3.37	-51.49
CCC1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893106	0	34	-1.0	-48.72	290.13	4.29	-44.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010893107	0	44	-1.0	-55.54	343.97	7.16	-48.38
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010893108	0	32	-1.0	-62.62	282.73	6.66	-55.96
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Cl)=N1	REAL300010893109	0	34	-1.0	-50.36	288.32	4.79	-45.57
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893110	0	37	-1.0	-52.69	312.38	5.87	-46.82
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010893111	0	39	-1.0	-53.89	328.12	6.95	-46.94
CSC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010893112	0	36	-1.0	-56.42	316.13	7.15	-49.27
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893113	0	34	-1.0	-43.94	299.47	6.09	-37.85
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893114	0	42	-1.0	-59.26	346.15	2.26	-57.00
COC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300010893115	0	35	-1.0	-51.99	301.83	3.61	-48.38
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893116	0	37	-1.0	-60.46	302.16	6.11	-54.35
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893117	0	41	-1.0	-62.04	336.85	6.66	-55.38
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010893118	0	47	-1.0	-60.29	374.68	6.14	-54.15
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010893119	0	31	-1.0	-42.92	281.43	5.49	-37.43
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893120	0	50	0.0	-89.12	381.32	7.09	-82.03
CCC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893121	0	41	-1.0	-54.73	329.58	7.88	-46.85
CC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893122	0	38	-1.0	-50.86	313.40	7.14	-43.72
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893123	0	35	-1.0	-51.26	293.96	6.71	-44.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010893124	0	36	-1.0	-56.17	297.73	5.50	-50.67
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010893125	0	32	-1.0	-48.47	290.26	6.46	-42.01
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893126	0	40	-1.0	-63.69	313.64	6.53	-57.16
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1C	REAL300010893127	0	59	-1.0	-60.68	452.38	10.44	-50.24
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010893128	0	41	-1.0	-56.99	322.49	6.97	-50.02
CC1=CC=CC(F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893129	0	35	-1.0	-64.61	275.93	6.70	-57.91
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893130	0	46	-1.0	-59.99	384.99	6.88	-53.11
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893131	0	33	-1.0	-53.67	292.47	6.36	-47.31
CC1=NC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CS1	REAL300010893132	0	34	-1.0	-53.28	293.19	4.09	-49.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010893133	0	35	-1.0	-59.23	304.07	4.63	-54.60
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010893134	0	38	-1.0	-55.49	329.30	8.64	-46.85
COC(=O)CCCCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893135	0	43	-1.0	-56.33	346.67	6.55	-49.78
CN1N=CC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CN=C21	REAL300010893136	0	37	-1.0	-50.48	304.96	4.80	-45.68
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893137	0	40	-1.0	-54.44	328.17	3.94	-50.50
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010893139	0	35	-1.0	-47.48	316.42	7.21	-40.27
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893140	0	43	-1.0	-65.75	333.84	4.06	-61.69
COC1=C(F)C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893141	0	38	-1.0	-53.21	324.47	6.53	-46.68
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893142	0	42	-1.0	-48.94	351.78	5.06	-43.88
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010893143	0	43	-1.0	-53.50	359.81	7.51	-45.99
COC1=CC=C(CCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893144	0	42	-1.0	-52.75	337.63	6.49	-46.26
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010893145	0	35	-1.0	-58.83	298.04	4.45	-54.38
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010893146	0	43	-1.0	-53.90	344.02	7.04	-46.86
CC1=CC=NC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010893147	0	40	-1.0	-63.02	320.98	7.02	-56.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010893148	0	35	-1.0	-53.98	294.57	6.65	-47.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010893149	0	35	-1.0	-47.33	307.70	6.84	-40.49
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893150	0	35	-1.0	-54.63	303.64	6.96	-47.67
CSC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893151	0	36	-1.0	-58.63	294.12	6.44	-52.19
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893152	0	43	-1.0	-62.61	332.14	5.06	-57.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010893153	0	44	-1.0	-59.59	351.03	4.97	-54.62
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010893154	0	40	-1.0	-53.85	330.17	6.93	-46.92
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893155	0	42	-1.0	-48.94	351.78	5.06	-43.88
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893156	0	40	-1.0	-55.68	310.04	6.05	-49.63
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010893157	0	35	-1.0	-53.20	309.27	7.00	-46.20
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300010893158	0	42	-1.0	-54.48	345.99	6.23	-48.25
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=CS1	REAL300010893159	0	38	-1.0	-50.26	305.99	6.03	-44.23
COC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010893160	0	36	-1.0	-50.71	295.52	5.05	-45.66
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893161	0	43	-1.0	-61.97	352.10	5.92	-56.05
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893162	0	46	-1.0	-59.17	380.40	6.85	-52.32
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893163	0	41	-1.0	-57.27	312.00	7.26	-50.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010893164	0	46	-1.0	-58.43	378.13	9.14	-49.29
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893165	0	40	-1.0	-58.16	331.45	7.56	-50.60
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893166	0	44	0.0	-77.23	339.30	7.59	-69.64
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893167	0	40	-1.0	-57.77	313.74	6.15	-51.62
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010893168	0	47	-1.0	-52.74	386.01	8.45	-44.29
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010893169	0	35	-1.0	-52.76	298.36	6.29	-46.47
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893170	0	44	-1.0	-65.87	340.28	7.40	-58.47
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010893171	0	32	-1.0	-44.00	293.73	6.55	-37.45
CC1=C(Cl)SC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893172	0	32	-1.0	-48.92	289.15	5.92	-43.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010893173	0	38	-1.0	-53.89	307.26	6.02	-47.87
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010893174	0	36	-1.0	-51.94	298.42	5.13	-46.81
CC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010893175	0	40	-1.0	-69.14	318.39	8.45	-60.69
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010893176	0	38	-1.0	-55.73	321.51	7.47	-48.26
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010893177	0	42	-1.0	-47.66	337.74	8.08	-39.58
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893178	0	35	-1.0	-53.08	299.69	6.82	-46.26
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010893179	0	37	-1.0	-60.58	302.12	6.01	-54.57
CC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010893180	0	38	-1.0	-59.66	310.86	7.03	-52.63
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893181	0	40	-1.0	-61.17	320.91	7.41	-53.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010893182	0	32	-1.0	-48.26	287.78	6.44	-41.82
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010893183	0	42	-1.0	-47.66	337.74	8.08	-39.58
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010893184	0	31	-1.0	-46.56	278.43	4.36	-42.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010893185	0	32	-1.0	-46.52	297.06	6.77	-39.75
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010893186	0	43	-1.0	-53.62	357.53	5.50	-48.12
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010893187	0	32	-1.0	-44.65	278.32	5.43	-39.22
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893188	0	42	-1.0	-64.65	328.37	7.58	-57.07
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893189	0	35	-1.0	-53.49	288.14	2.36	-51.13
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1C#N	REAL300010893190	0	36	-1.0	-52.11	302.39	6.67	-45.44
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893191	0	38	-1.0	-48.07	320.23	6.38	-41.69
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893192	0	36	-1.0	-58.83	308.07	6.10	-52.73
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010893193	0	33	-1.0	-56.47	287.69	4.39	-52.08
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010893194	0	45	-1.0	-55.92	350.15	8.93	-46.99
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=NO1	REAL300010893195	0	43	-1.0	-52.04	344.77	6.43	-45.61
O=C([O-])[C@@H]1CCCCN1C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010893196	0	49	-1.0	-67.64	359.31	11.83	-55.81
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010893197	0	46	-1.0	-57.02	353.46	7.50	-49.52
COC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893198	0	39	-1.0	-60.98	293.56	5.20	-55.78
COC(=O)C1=CN=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893199	0	37	-1.0	-59.90	313.18	4.71	-55.19
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Br	REAL300010893200	0	33	-1.0	-51.20	301.41	6.58	-44.62
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010893201	0	34	-1.0	-51.71	312.50	6.97	-44.74
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010893202	0	39	-1.0	-57.37	318.26	5.92	-51.45
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893203	0	38	-1.0	-49.79	336.65	6.31	-43.48
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893204	0	39	-1.0	-57.02	307.49	5.19	-51.83
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1OC	REAL300010893205	0	40	-1.0	-53.18	330.36	5.17	-48.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010893206	0	36	-1.0	-52.24	306.40	5.33	-46.91
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010893207	0	35	-1.0	-52.52	305.26	6.75	-45.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893208	0	43	-1.0	-58.75	351.57	2.74	-56.01
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C2S1	REAL300010893209	0	44	-1.0	-51.63	375.52	8.73	-42.90
N#CCC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893210	0	36	-1.0	-58.31	301.88	6.87	-51.44
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010893211	0	38	-1.0	-62.81	314.00	4.65	-58.16
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893212	0	37	-1.0	-63.32	317.75	1.26	-62.06
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010893213	0	38	-1.0	-49.10	323.64	6.49	-42.61
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893214	0	40	-1.0	-67.49	334.68	7.23	-60.26
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010893215	0	36	-1.0	-50.78	302.86	5.32	-45.46
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-])OCO2	REAL300010893216	0	38	-1.0	-53.34	298.83	4.88	-48.46
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893217	0	38	-1.0	-47.78	313.23	6.91	-40.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010893218	0	32	-1.0	-47.69	288.37	6.49	-41.20
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893219	0	38	-1.0	-56.59	298.92	7.40	-49.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010893220	0	32	-1.0	-51.58	290.21	6.53	-45.05
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-])OCC(=O)N2	REAL300010893221	0	42	-1.0	-60.46	341.91	2.81	-57.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010893222	0	34	-1.0	-50.06	313.52	7.01	-43.05
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893223	0	30	-1.0	-47.50	272.84	5.28	-42.22
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010893224	0	34	-1.0	-44.84	309.73	6.88	-37.96
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010893225	0	32	-1.0	-52.45	290.27	7.12	-45.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010893226	0	33	-1.0	-49.33	285.78	3.66	-45.67
COC1=CN=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893227	0	35	-1.0	-55.04	285.56	3.16	-51.88
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010893228	0	32	-1.0	-49.78	289.70	6.43	-43.35
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1OC	REAL300010893229	0	42	-1.0	-54.58	341.81	6.39	-48.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010893230	0	32	-1.0	-47.33	290.13	6.54	-40.79
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010893231	0	35	-1.0	-54.94	303.36	6.94	-48.00
CC(=O)NC1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893232	0	35	-1.0	-54.35	305.08	3.20	-51.15
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893232	1	34	-2.0	-107.57	301.77	2.08	-105.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010893233	0	35	-1.0	-54.82	307.93	7.05	-47.77
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893234	0	36	-1.0	-64.81	313.66	3.08	-61.73
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893235	0	41	-1.0	-66.00	325.08	7.79	-58.21
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893236	0	40	-1.0	-60.68	316.68	3.35	-57.33
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893237	0	36	-1.0	-64.59	318.23	3.18	-61.41
CCOC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893238	0	39	-1.0	-60.84	310.98	5.94	-54.90
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=C2O1	REAL300010893239	0	43	-1.0	-60.32	342.22	7.04	-53.28
N#CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010893240	0	36	-1.0	-43.90	317.58	6.87	-37.03
COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893241	0	41	-1.0	-49.92	328.23	4.44	-45.48
CC1=CC=C(CCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893242	0	41	-1.0	-53.19	329.52	7.86	-45.33
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893243	0	39	-1.0	-51.41	326.00	6.08	-45.33
N#CC1CN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCO1	REAL300010893244	0	36	-1.0	-51.11	289.67	2.80	-48.31
CCN(CC(C)C#N)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893245	0	40	-1.0	-51.51	305.29	5.56	-45.95
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010893246	0	35	-1.0	-54.89	291.02	4.46	-50.43
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893247	0	33	-1.0	-47.95	295.77	6.35	-41.60
N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893248	0	33	-1.0	-50.98	297.60	6.44	-44.54
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893249	0	38	-1.0	-50.53	302.46	6.82	-43.71
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010893250	0	38	-1.0	-66.85	319.72	6.97	-59.88
COCCOCCOCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893251	0	46	-1.0	-54.03	371.35	3.02	-51.01
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893252	0	42	-1.0	-71.88	351.97	3.10	-68.78
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010893253	0	32	-1.0	-62.26	279.97	6.60	-55.66
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2CC1	REAL300010893254	0	49	-1.0	-66.27	372.74	7.66	-58.61
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010893255	0	41	-1.0	-58.87	347.37	7.24	-51.63
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1OC	REAL300010893256	0	42	-1.0	-49.30	348.18	7.08	-42.22
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893257	0	41	-1.0	-55.22	336.14	8.20	-47.02
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893258	0	41	-1.0	-55.09	332.01	7.89	-47.20
CN(C(=O)N1CCCC[C@H]1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010893259	0	39	-1.0	-68.01	300.07	3.84	-64.17
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893260	0	42	-1.0	-60.36	343.17	4.72	-55.64
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010893261	0	32	-1.0	-53.24	285.77	6.35	-46.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010893262	0	45	-1.0	-54.26	363.64	7.26	-47.00
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010893263	0	41	-1.0	-50.23	358.11	7.80	-42.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010893264	0	34	-1.0	-60.68	310.85	7.61	-53.07
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010893265	0	41	-1.0	-64.33	324.21	2.86	-61.47
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893266	0	40	-1.0	-51.54	326.16	6.86	-44.68
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1OC	REAL300010893267	0	43	-1.0	-55.04	358.30	5.65	-49.39
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010893268	0	44	-1.0	-53.92	361.05	7.86	-46.06
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893269	0	46	-1.0	-71.92	371.16	3.91	-68.01
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893270	0	43	-1.0	-62.13	346.36	5.31	-56.82
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893271	0	45	-1.0	-68.88	367.84	7.18	-61.70
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010893272	0	44	-1.0	-57.20	353.36	7.76	-49.44
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010893273	0	35	-1.0	-55.66	297.48	7.03	-48.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893274	0	44	-1.0	-62.62	361.20	8.13	-54.49
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893275	0	38	-1.0	-60.58	331.66	8.22	-52.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010893276	0	35	-1.0	-52.41	299.54	7.22	-45.19
CC(COC1CCCC1)CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893277	0	48	-1.0	-53.70	363.46	7.08	-46.62
CC1=C(CCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])SC=N1	REAL300010893278	0	37	-1.0	-51.59	312.10	4.93	-46.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010893279	0	38	-1.0	-53.56	324.85	7.71	-45.85
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893280	0	41	-1.0	-62.24	345.62	7.42	-54.82
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010893281	0	42	-1.0	-61.48	334.90	9.13	-52.35
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893282	0	46	-1.0	-56.73	379.67	3.48	-53.25
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010893283	0	35	-1.0	-52.74	303.41	6.95	-45.79
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN1C	REAL300010893284	0	44	-1.0	-62.13	362.24	6.85	-55.28
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010893285	0	38	-1.0	-65.39	331.46	3.63	-61.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010893286	0	36	-1.0	-49.12	304.91	5.68	-43.44
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010893287	0	35	-1.0	-57.63	294.69	6.62	-51.01
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893288	0	34	-1.0	-49.80	285.24	4.79	-45.01
CC1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300010893289	0	35	-1.0	-63.91	303.09	5.79	-58.12
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010893290	0	33	-1.0	-53.29	284.22	4.52	-48.77
COC(=O)C(C)(C)CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893291	0	40	-1.0	-51.43	311.87	5.59	-45.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893292	0	45	-1.0	-54.71	354.70	6.64	-48.07
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010893293	0	35	-2.0	-108.89	307.96	5.34	-103.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010893293	1	36	-1.0	-56.38	311.42	4.48	-51.90
CCOC(=O)CC1(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893294	0	41	-1.0	-64.06	319.80	6.80	-57.26
N#CC1=CC(F)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Br	REAL300010893295	0	33	-1.0	-46.96	309.46	6.73	-40.23
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893296	0	43	-1.0	-59.14	359.10	5.08	-54.06
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010893297	0	47	-1.0	-57.67	373.62	8.47	-49.20
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893298	0	44	-1.0	-59.31	364.59	4.91	-54.40
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010893299	0	37	-1.0	-50.47	307.32	2.89	-47.58
COC(=O)C1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCCC1	REAL300010893300	0	44	-1.0	-54.68	327.70	6.74	-47.94
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010893301	0	31	-1.0	-45.79	292.00	4.87	-40.92
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893302	0	39	-1.0	-53.25	332.74	5.92	-47.33
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010893303	0	38	-1.0	-51.67	316.93	7.28	-44.39
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010893304	0	43	-1.0	-52.73	366.20	8.96	-43.77
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893305	0	41	-1.0	-60.49	336.59	7.15	-53.34
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010893306	0	34	-1.0	-59.08	295.24	5.21	-53.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010893307	0	42	-1.0	-54.36	311.57	7.09	-47.27
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010893308	0	38	-1.0	-51.43	325.35	7.66	-43.77
COC(=O)C1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCC1	REAL300010893309	0	41	-1.0	-54.75	322.57	5.96	-48.79
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010893310	0	32	-1.0	-47.71	292.64	5.89	-41.82
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893311	0	36	-1.0	-47.41	311.42	6.70	-40.71
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893312	0	45	-1.0	-54.50	370.79	6.05	-48.45
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893313	0	48	-1.0	-54.09	392.65	6.98	-47.11
COC(=O)C1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCCCC1	REAL300010893314	0	47	-1.0	-61.49	341.44	7.50	-53.99
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN=C1C	REAL300010893315	0	40	-1.0	-51.06	326.84	5.02	-46.04
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010893316	0	36	-1.0	-47.76	314.90	5.63	-42.13
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893317	0	41	-1.0	-58.84	355.79	7.88	-50.96
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893318	0	33	-1.0	-53.12	287.62	6.13	-46.99
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1CCOCC1	REAL300010893319	0	42	-1.0	-53.21	320.03	4.98	-48.23
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010893320	0	48	-1.0	-60.80	395.95	7.56	-53.24
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893321	0	35	-1.0	-54.41	286.12	6.08	-48.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010893322	0	34	-1.0	-43.66	307.19	5.27	-38.39
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010893323	0	45	-1.0	-53.86	320.33	7.67	-46.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010893324	0	41	-1.0	-53.95	327.24	7.37	-46.58
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010893325	0	33	-1.0	-44.97	297.28	5.11	-39.86
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010893326	0	38	-1.0	-54.33	318.87	7.31	-47.02
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010893327	0	35	-1.0	-47.31	297.52	4.26	-43.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010893328	0	34	-1.0	-53.46	298.80	7.37	-46.09
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010893329	0	41	-1.0	-52.36	339.01	6.81	-45.55
CC1=CC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010893330	0	40	-1.0	-57.11	337.23	7.07	-50.04
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010893331	0	41	-1.0	-53.06	315.10	6.90	-46.16
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010893332	0	42	-1.0	-52.62	342.15	6.47	-46.15
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010893333	0	59	-1.0	-61.05	427.71	11.83	-49.22
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010893334	0	37	-1.0	-58.02	317.70	6.91	-51.11
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893335	0	44	-1.0	-54.69	363.37	8.02	-46.67
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893336	0	37	-1.0	-64.92	299.76	5.13	-59.79
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893337	0	39	-1.0	-53.24	329.49	6.01	-47.23
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010893338	0	39	-1.0	-55.01	308.86	7.82	-47.19
COC1=CC=C2C=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])CCC2=C1	REAL300010893339	0	44	-1.0	-54.54	345.73	7.24	-47.30
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010893340	0	40	-1.0	-53.58	320.93	6.67	-46.91
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010893341	0	35	-1.0	-55.80	298.09	6.76	-49.04
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010893342	0	35	-1.0	-52.98	309.84	7.70	-45.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010893343	0	35	-1.0	-53.09	313.68	7.09	-46.00
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893344	0	41	-1.0	-61.82	347.34	3.95	-57.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010893345	0	35	-1.0	-58.91	292.07	6.11	-52.80
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300010893346	0	44	-1.0	-52.07	328.91	7.37	-44.70
CC1=CC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010893347	0	41	-1.0	-57.65	326.87	8.63	-49.02
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010893348	0	29	-1.0	-48.75	263.70	5.26	-43.49
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893349	0	41	-1.0	-58.10	341.67	7.17	-50.93
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010893350	0	47	-1.0	-65.17	382.54	6.24	-58.93
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893351	0	45	-1.0	-65.34	355.96	6.04	-59.30
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010893352	0	35	-1.0	-52.50	299.57	6.69	-45.81
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010893353	0	38	-1.0	-56.88	313.96	8.01	-48.87
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300010893354	0	50	-1.0	-60.88	368.25	10.57	-50.31
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010893355	0	37	-1.0	-54.27	296.73	5.54	-48.73
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010893356	0	39	-1.0	-67.83	318.40	5.52	-62.31
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010893357	0	34	-1.0	-48.51	309.07	5.61	-42.90
COC1=CC(OC)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010893358	0	40	-1.0	-60.08	336.77	5.42	-54.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010893359	0	40	-1.0	-47.05	331.81	4.22	-42.83
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893360	0	37	-1.0	-65.26	315.52	0.69	-64.57
CC(C)(CCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300010893361	0	43	-1.0	-71.16	336.12	2.80	-68.36
COC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010893362	0	36	-1.0	-50.44	305.40	5.55	-44.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010893363	0	35	-1.0	-54.40	300.79	3.32	-51.08
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893364	0	45	-1.0	-62.00	354.22	6.35	-55.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010893365	0	37	-1.0	-59.71	300.37	5.62	-54.09
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010893366	0	41	-1.0	-58.22	335.62	8.87	-49.35
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010893367	0	36	-1.0	-57.83	307.38	5.90	-51.93
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010893368	0	36	-1.0	-56.51	317.71	6.35	-50.16
COC(=O)CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893369	0	41	-1.0	-63.50	343.34	7.18	-56.32
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893370	0	45	-1.0	-53.32	352.21	7.09	-46.23
COC(CC(C)C)CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893371	0	44	-1.0	-52.54	333.10	5.59	-46.95
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893372	0	36	-1.0	-60.62	297.74	5.65	-54.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010893373	0	35	-1.0	-50.09	315.56	7.28	-42.81
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCC1CCOC1	REAL300010893374	0	42	-1.0	-53.00	324.91	5.00	-48.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010893375	0	35	-1.0	-47.81	313.26	7.29	-40.52
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010893376	0	35	-1.0	-44.58	300.51	4.79	-39.79
CCC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893377	0	40	-1.0	-46.75	322.42	7.52	-39.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893378	0	48	-1.0	-61.74	367.55	7.90	-53.84
N#CCC1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893379	0	39	-1.0	-58.79	328.94	7.61	-51.18
COC1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010893380	0	35	-1.0	-50.09	304.22	2.92	-47.17
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010893381	0	41	-1.0	-50.81	345.57	7.42	-43.39
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893382	0	41	-1.0	-50.48	354.43	7.35	-43.13
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010893383	0	35	-1.0	-51.24	303.42	6.96	-44.28
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010893384	0	35	-1.0	-52.96	297.96	6.87	-46.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010893385	0	38	-1.0	-71.14	309.01	6.67	-64.47
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300010893386	0	41	-1.0	-53.53	347.15	7.17	-46.36
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1F	REAL300010893387	0	38	-1.0	-49.99	338.58	6.95	-43.04
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893388	0	41	-1.0	-62.18	344.10	7.12	-55.06
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893389	0	39	-1.0	-53.88	312.59	5.95	-47.93
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893390	0	38	-1.0	-51.69	315.32	7.41	-44.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010893391	0	45	-1.0	-52.88	341.54	5.74	-47.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010893392	0	47	-1.0	-45.98	375.62	3.49	-42.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010893393	0	40	-1.0	-60.86	314.91	6.99	-53.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010893394	0	39	-1.0	-59.72	326.06	3.56	-56.16
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010893395	0	32	-1.0	-45.92	283.52	6.26	-39.66
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])SC(Br)=C1	REAL300010893396	0	32	-1.0	-50.18	285.61	6.00	-44.18
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010893397	0	41	-1.0	-53.84	317.08	5.84	-48.00
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893398	0	42	-1.0	-50.48	335.97	4.50	-45.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010893399	0	38	-1.0	-50.80	314.53	7.27	-43.53
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010893400	0	38	-1.0	-52.09	313.58	7.22	-44.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010893401	0	38	-1.0	-51.53	321.89	7.61	-43.92
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893402	0	36	-1.0	-54.10	318.26	6.23	-47.87
COC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C(=O)NCCC2	REAL300010893403	0	47	-1.0	-72.89	367.32	4.65	-68.24
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])S2)C1	REAL300010893404	0	43	-1.0	-56.90	350.51	6.18	-50.72
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010893405	0	39	-1.0	-53.32	335.20	7.91	-45.41
COC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893406	0	41	-1.0	-53.30	311.19	3.90	-49.40
COC(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1CCOC1	REAL300010893407	0	43	-1.0	-49.92	328.17	3.38	-46.54
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010893408	0	35	-1.0	-47.68	302.92	6.84	-40.84
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010893409	0	35	-1.0	-49.17	300.67	6.75	-42.42
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010893410	0	32	-1.0	-48.59	298.96	6.82	-41.77
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893411	0	39	-1.0	-58.21	316.85	3.12	-55.09
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893412	0	57	-1.0	-52.39	441.27	10.52	-41.87
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893413	0	47	-1.0	-62.46	370.80	8.03	-54.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010893414	0	32	-1.0	-45.94	287.94	6.35	-39.59
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893415	0	38	-1.0	-48.07	320.23	6.38	-41.69
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010893416	0	46	-1.0	-60.08	368.88	8.75	-51.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010893417	0	46	-1.0	-59.62	378.40	9.04	-50.58
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC=C1Br	REAL300010893418	0	31	-1.0	-57.53	274.22	5.11	-52.42
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=C2)=N1	REAL300010893419	0	44	-1.0	-63.60	350.66	5.24	-58.36
COC(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010893420	0	42	-1.0	-50.45	344.65	6.79	-43.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010893421	0	44	-1.0	-55.25	344.84	7.14	-48.11
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])N(C)N=C1	REAL300010893422	0	38	-1.0	-54.71	310.35	4.92	-49.79
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010893423	0	40	-1.0	-52.09	341.69	4.55	-47.54
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010893424	0	44	-1.0	-58.86	349.87	8.14	-50.72
COC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893425	0	43	-1.0	-56.05	348.03	4.95	-51.10
CCOC(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1CC1	REAL300010893426	0	42	-1.0	-52.50	331.90	6.08	-46.42
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1F	REAL300010893427	0	38	-1.0	-50.57	328.25	6.51	-44.06
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=C(Cl)C=C21	REAL300010893428	0	43	-1.0	-58.09	351.00	7.03	-51.06
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893429	0	45	-1.0	-53.68	349.59	7.37	-46.31
COC(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1CCCC1	REAL300010893430	0	45	-1.0	-52.12	337.12	5.83	-46.29
COC(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300010893431	0	48	-1.0	-50.84	353.72	6.49	-44.35
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010893432	0	35	-1.0	-49.65	299.91	5.22	-44.43
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010893433	0	51	-1.0	-54.87	390.50	8.69	-46.18
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010893434	0	35	-1.0	-68.17	308.48	5.28	-62.89
COC1=CC(F)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893435	0	36	-1.0	-53.71	297.74	5.62	-48.09
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010893436	0	40	-1.0	-47.07	321.25	7.66	-39.41
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893437	0	39	-1.0	-51.57	305.35	5.68	-45.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010893438	0	45	-1.0	-54.06	359.88	7.78	-46.28
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])O1	REAL300010893439	0	38	-1.0	-57.14	319.38	5.70	-51.44
CCC1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300010893440	0	45	-1.0	-66.55	360.33	8.28	-58.27
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2C1	REAL300010893441	0	43	-1.0	-56.59	344.63	6.28	-50.31
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893442	0	35	-1.0	-49.47	297.97	4.05	-45.42
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010893443	0	43	-1.0	-53.38	360.18	9.80	-43.58
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893444	0	35	-1.0	-54.62	299.70	6.82	-47.80
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010893445	0	42	-1.0	-62.08	324.68	8.86	-53.22
CC1=CC=C(Br)C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893446	0	38	-1.0	-51.78	317.94	7.45	-44.33
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893447	0	39	-1.0	-54.22	324.73	6.16	-48.06
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010893448	0	38	-1.0	-57.16	318.77	7.25	-49.91
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1F	REAL300010893449	0	35	-1.0	-49.82	295.67	6.55	-43.27
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010893450	0	31	-1.0	-45.31	285.80	4.46	-40.85
CC(C)OC1=CN=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893451	0	41	-1.0	-52.24	328.68	4.97	-47.27
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010893452	0	38	-1.0	-56.25	312.96	3.96	-52.29
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010893453	0	39	-1.0	-50.16	334.95	4.97	-45.19
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])OC=C1	REAL300010893454	0	35	-1.0	-59.98	295.79	5.62	-54.36
CCC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300010893455	0	45	-1.0	-58.28	343.85	6.94	-51.34
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010893456	0	38	-1.0	-49.54	331.73	7.57	-41.97
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893457	0	40	-1.0	-58.62	330.44	7.01	-51.61
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=N1	REAL300010893458	0	34	-1.0	-63.51	290.40	4.78	-58.73
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893459	0	35	-1.0	-53.26	308.83	7.23	-46.03
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010893460	0	41	-1.0	-67.07	315.96	8.91	-58.16
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010893461	0	39	-1.0	-49.66	328.87	5.41	-44.25
N#CCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893462	0	36	-1.0	-59.46	291.12	6.58	-52.88
CC1=CC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C2NC1=O	REAL300010893463	0	41	-1.0	-54.88	333.41	5.50	-49.38
CN1N=NC2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893464	0	37	-1.0	-50.34	304.74	4.15	-46.19
CC1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010893465	0	41	-1.0	-62.26	345.13	7.40	-54.86
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010893466	0	32	-1.0	-43.80	273.92	2.82	-40.98
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010893467	0	37	-1.0	-44.43	315.48	7.02	-37.41
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010893468	0	38	-1.0	-55.32	316.25	6.67	-48.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1	REAL300010893469	0	44	0.0	-61.81	331.10	6.59	-55.22
C[NH+]1CCN(CCCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893470	0	49	0.0	-70.93	363.50	4.77	-66.16
CN1CCN(CCCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893470	1	48	-1.0	-52.19	361.77	2.54	-49.65
CN1N=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1Br	REAL300010893471	0	32	-1.0	-53.80	286.77	3.82	-49.98
CN1N=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1I	REAL300010893472	0	32	-1.0	-53.72	289.73	4.03	-49.69
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893473	0	36	-1.0	-56.57	300.16	6.95	-49.62
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893474	0	41	-1.0	-53.78	330.13	4.20	-49.58
CCCCN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=N1	REAL300010893475	0	44	-1.0	-52.55	352.73	6.53	-46.02
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(OC)C=C1F	REAL300010893476	0	42	-1.0	-56.84	350.42	6.27	-50.57
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893477	0	42	-1.0	-65.39	332.71	6.21	-59.18
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893478	0	36	-1.0	-49.64	288.65	5.57	-44.07
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010893479	0	48	-1.0	-55.39	369.00	7.89	-47.50
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893480	0	44	-1.0	-57.84	339.15	7.94	-49.90
N#CC1=CC(F)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893481	0	33	-1.0	-50.17	288.17	6.16	-44.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010893482	0	35	-1.0	-50.09	300.66	6.73	-43.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010893483	0	51	-1.0	-54.23	388.56	10.24	-43.99
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300010893484	0	36	-1.0	-55.34	298.94	5.78	-49.56
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Br)NC=N1	REAL300010893485	0	29	-1.0	-60.31	261.03	4.33	-55.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010893486	0	40	-1.0	-51.05	331.51	6.56	-44.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010893487	0	31	-1.0	-47.09	283.39	4.68	-42.41
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010893488	0	31	-1.0	-45.08	281.21	4.39	-40.69
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010893489	0	31	-1.0	-44.41	270.75	3.90	-40.51
COC1=NC=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893490	0	35	-1.0	-52.13	310.19	3.64	-48.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010893491	0	37	-1.0	-52.22	316.33	6.54	-45.68
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010893492	0	34	-1.0	-50.27	300.66	5.57	-44.70
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010893493	0	42	-1.0	-54.62	355.43	6.60	-48.02
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N=S1(=O)CCCC1	REAL300010893494	0	36	-1.0	-78.84	295.70	2.75	-76.09
CC1(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1(Cl)Cl	REAL300010893495	0	35	-1.0	-50.34	304.66	6.50	-43.84
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=C(Br)SC=N1	REAL300010893496	0	31	-1.0	-49.85	285.62	3.86	-45.99
CCS(=O)(CC)=NS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893497	0	38	-1.0	-78.24	309.66	3.16	-75.08
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010893498	0	34	-1.0	-49.13	294.20	6.43	-42.70
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010893499	0	40	-1.0	-50.68	316.65	5.14	-45.54
CCN1CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1=O	REAL300010893500	0	39	-1.0	-49.21	307.72	4.28	-44.93
CCOC(=O)C1(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCC1	REAL300010893501	0	41	-1.0	-51.50	315.31	6.48	-45.02
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1	REAL300010893502	0	43	-1.0	-62.86	347.65	2.30	-60.56
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010893503	0	33	-1.0	-44.43	305.36	4.82	-39.61
COC(=O)C1=CC=C(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893504	0	41	-1.0	-54.96	341.50	7.10	-47.86
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010893505	0	35	-1.0	-56.16	314.74	7.04	-49.12
CN1N=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1C(F)(F)F	REAL300010893506	0	35	-1.0	-50.78	291.58	4.01	-46.77
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893507	0	42	-1.0	-56.40	325.03	5.96	-50.44
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010893508	0	29	-1.0	-48.66	268.37	5.03	-43.63
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010893509	0	44	-1.0	-55.81	329.17	5.71	-50.10
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010893510	0	42	-1.0	-56.46	327.96	5.88	-50.58
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893511	0	35	-1.0	-54.29	286.80	4.30	-49.99
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Br)=N1	REAL300010893512	0	32	-1.0	-49.19	288.71	3.91	-45.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010893513	0	34	-1.0	-57.12	298.90	5.32	-51.80
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893514	0	39	-1.0	-53.13	318.32	6.24	-46.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010893515	0	46	-1.0	-52.85	362.85	6.64	-46.21
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010893516	0	32	-2.0	-111.09	275.64	4.39	-106.70
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010893516	1	33	-1.0	-59.31	277.04	3.65	-55.66
C=CCCC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893517	0	42	-1.0	-55.51	337.73	8.47	-47.04
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893518	0	35	-1.0	-65.26	294.53	3.52	-61.74
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893519	0	35	-1.0	-53.29	308.83	7.23	-46.06
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893520	0	38	-1.0	-51.22	294.97	4.13	-47.09
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893521	0	37	-1.0	-49.64	308.21	6.26	-43.38
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893522	0	41	-1.0	-61.92	328.85	3.70	-58.22
CCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010893523	0	54	-1.0	-54.70	412.00	9.47	-45.23
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C#N)=C1	REAL300010893524	0	36	-1.0	-52.24	297.43	6.51	-45.73
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893525	0	36	-1.0	-72.74	293.00	6.98	-65.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010893526	0	35	-1.0	-56.84	300.13	6.64	-50.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010893527	0	43	-1.0	-58.83	347.49	6.16	-52.67
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010893528	0	36	-1.0	-56.65	311.73	7.34	-49.31
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300010893529	0	54	-1.0	-57.22	406.48	9.49	-47.73
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1CC	REAL300010893530	0	48	-1.0	-55.55	375.48	8.20	-47.35
N#CCCC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893531	0	39	-1.0	-58.66	324.27	7.65	-51.01
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893532	0	38	-1.0	-56.90	309.25	7.83	-49.07
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893533	0	46	-1.0	-76.69	364.03	5.42	-71.27
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010893534	0	35	-1.0	-52.23	311.34	7.23	-45.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010893535	0	35	-1.0	-53.58	302.22	6.82	-46.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010893536	0	42	-1.0	-59.56	345.06	7.64	-51.92
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893537	0	38	-1.0	-49.08	320.02	7.51	-41.57
CC1=CN=C(Cl)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893538	0	34	-1.0	-50.03	288.51	4.72	-45.31
COC1=CC=C(Br)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1F	REAL300010893539	0	36	-1.0	-66.25	305.52	5.94	-60.31
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893540	0	42	-1.0	-49.59	333.25	7.78	-41.81
CC(C)(CCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C1CC1	REAL300010893541	0	44	-1.0	-51.92	327.15	7.13	-44.79
CCOC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])N(C)N=C1	REAL300010893542	0	41	-1.0	-57.70	332.51	5.63	-52.07
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010893543	0	36	-1.0	-53.87	309.24	7.26	-46.61
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCCC1=CC=CC=C1	REAL300010893544	0	41	-1.0	-53.32	329.61	7.98	-45.34
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010893545	0	37	-1.0	-60.75	302.36	2.76	-57.99
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C(C(N)=O)O1	REAL300010893546	0	36	-1.0	-66.17	304.47	1.48	-64.69
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893547	0	41	-1.0	-52.92	311.07	7.86	-45.06
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010893548	0	44	-1.0	-51.12	366.29	7.36	-43.76
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893549	0	45	-1.0	-53.17	359.41	6.12	-47.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010893550	0	41	-1.0	-53.70	324.72	6.42	-47.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC=C1C(F)F	REAL300010893551	0	32	-1.0	-50.83	276.15	5.36	-45.47
COC(=O)C1=CC=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893552	0	37	-1.0	-57.56	313.46	5.03	-52.53
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010893553	0	38	-1.0	-54.63	314.53	7.27	-47.36
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893554	0	48	-1.0	-61.66	377.84	8.62	-53.04
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010893555	0	37	-1.0	-55.44	295.12	5.86	-49.58
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893556	0	52	-1.0	-60.81	383.20	7.80	-53.01
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893557	0	39	-1.0	-66.50	321.19	6.00	-60.50
N#CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=CS1	REAL300010893558	0	30	-1.0	-50.76	274.15	5.14	-45.62
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C21	REAL300010893559	0	46	-1.0	-53.42	356.23	5.80	-47.62
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010893560	0	47	-1.0	-64.79	371.62	8.35	-56.44
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C21	REAL300010893561	0	46	-1.0	-79.88	361.81	7.64	-72.24
COC1=NC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893562	0	35	-1.0	-54.99	289.23	2.96	-52.03
CCC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893563	0	43	-1.0	-51.80	316.97	6.09	-45.71
O=C([O-])C1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893564	0	39	-2.0	-108.19	305.78	5.30	-102.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010893565	0	39	-1.0	-51.37	308.14	5.16	-46.21
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010893566	0	39	-1.0	-52.72	308.98	5.61	-47.11
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010893567	0	42	-1.0	-53.02	326.45	6.32	-46.70
COC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010893568	0	44	-1.0	-54.36	349.46	8.16	-46.20
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893569	0	45	-1.0	-68.67	367.71	7.16	-61.51
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893570	0	42	-1.0	-52.88	331.94	5.87	-47.01
CC1(C)COC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=NN2C1	REAL300010893571	0	43	-1.0	-60.20	340.43	3.85	-56.35
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010893572	0	38	-1.0	-51.98	326.96	6.62	-45.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010893573	0	38	-1.0	-57.75	311.64	2.92	-54.83
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Br)C=CO1	REAL300010893574	0	29	-1.0	-52.58	267.69	4.64	-47.94
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300010893575	0	39	-1.0	-58.46	301.05	5.43	-53.03
COC1=C(F)C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893576	0	36	-1.0	-49.37	306.53	5.22	-44.15
COC1=CC(F)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1F	REAL300010893577	0	36	-1.0	-54.39	304.70	5.21	-49.18
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010893578	0	57	-1.0	-54.69	433.50	10.25	-44.44
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893579	0	48	-1.0	-57.86	361.87	7.34	-50.52
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893580	0	42	-1.0	-60.40	337.73	7.21	-53.19
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300010893581	0	55	-1.0	-57.44	424.48	8.11	-49.33
CC1=CSC(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893582	0	35	-1.0	-57.41	288.73	6.51	-50.90
CC1CC2=CC=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=C2O1	REAL300010893583	0	40	-1.0	-60.37	321.32	6.37	-54.00
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893584	0	40	-1.0	-49.66	328.86	5.37	-44.29
N#CC1(C2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300010893585	0	40	-1.0	-62.92	329.18	7.90	-55.02
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893586	0	36	-1.0	-53.79	293.14	5.84	-47.95
CC1=C(Br)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C)S1	REAL300010893587	0	35	-1.0	-55.10	304.88	7.10	-48.00
CC1=CC(Cl)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010893588	0	35	-1.0	-58.60	308.72	7.82	-50.78
COC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=N1	REAL300010893589	0	37	-1.0	-61.64	311.95	4.53	-57.11
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C21	REAL300010893590	0	49	-1.0	-66.64	368.74	7.61	-59.03
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010893591	0	38	-1.0	-58.38	310.45	6.16	-52.22
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C21	REAL300010893592	0	46	-1.0	-53.33	357.74	7.15	-46.18
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC=C1Cl	REAL300010893593	0	29	-1.0	-49.07	266.58	5.08	-43.99
CN1N=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893594	0	32	-1.0	-49.73	277.87	3.56	-46.17
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010893595	0	34	-1.0	-48.42	294.87	4.81	-43.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893596	0	37	-1.0	-63.92	294.12	4.92	-59.00
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010893597	0	41	-1.0	-55.40	305.97	5.72	-49.68
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010893598	0	36	-1.0	-51.08	320.16	6.37	-44.71
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010893599	0	33	-1.0	-51.66	275.64	4.48	-47.18
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010893600	0	35	-1.0	-68.60	303.91	5.17	-63.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010893601	0	35	-1.0	-55.07	298.88	7.13	-47.94
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893602	0	39	-1.0	-53.41	308.34	5.20	-48.21
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300010893603	0	41	-1.0	-44.78	300.76	7.01	-37.77
COC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1OC	REAL300010893604	0	40	-1.0	-53.72	312.07	5.29	-48.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010893605	0	41	-1.0	-68.34	329.24	2.92	-65.42
N#CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010893606	0	33	-1.0	-44.73	301.44	6.59	-38.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010893607	0	35	-1.0	-54.37	294.53	6.12	-48.25
COC1=CC=C(F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1OC	REAL300010893608	0	40	-1.0	-57.53	320.31	5.74	-51.79
COC(=O)C1=C(Br)OC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893609	0	35	-1.0	-53.11	320.56	5.65	-47.46
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300010893610	0	45	-1.0	-59.13	348.78	6.29	-52.84
N#CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC=C2S1	REAL300010893611	0	36	-1.0	-65.92	312.86	7.83	-58.09
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300010893612	0	39	-1.0	-53.82	319.49	5.72	-48.10
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893613	0	34	-2.0	-125.93	297.40	6.39	-119.54
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010893614	0	36	-1.0	-58.38	300.48	5.31	-53.07
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010893615	0	36	-1.0	-52.16	319.84	6.35	-45.81
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010893616	0	35	-1.0	-60.01	289.77	5.29	-54.72
CN1N=NC2=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=CC=C21	REAL300010893617	0	37	-1.0	-59.29	308.95	4.23	-55.06
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300010893618	0	35	-1.0	-54.37	294.53	6.12	-48.25
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010893619	0	32	-2.0	-105.40	301.91	5.39	-100.01
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1Br	REAL300010893620	0	38	-1.0	-57.19	311.95	7.31	-49.88
CC1(C)CCCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1	REAL300010893621	0	43	-1.0	-52.80	308.10	6.04	-46.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010893622	0	38	-1.0	-47.86	329.86	6.66	-41.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010893623	0	35	-1.0	-54.56	294.95	6.05	-48.51
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300010893624	0	42	-1.0	-53.81	332.94	5.96	-47.85
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)NCCC1=CC=CC=C1	REAL300010893625	0	40	-1.0	-49.74	323.17	5.92	-43.82
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893626	0	50	-1.0	-56.88	371.68	9.36	-47.52
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010893627	0	38	-1.0	-50.14	333.59	7.65	-42.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)SC=C1	REAL300010893628	0	29	-1.0	-50.94	267.43	5.20	-45.74
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010893629	0	42	-1.0	-49.73	334.26	6.23	-43.50
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010893630	0	36	-1.0	-55.16	295.97	6.68	-48.48
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010893631	0	43	-1.0	-58.39	361.60	8.60	-49.79
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893632	0	45	-1.0	-60.93	350.73	3.99	-56.94
COC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010893633	0	41	-1.0	-69.43	325.19	7.27	-62.16
CCCC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893634	0	41	-1.0	-56.79	324.04	7.92	-48.87
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893635	0	38	-1.0	-57.17	312.15	3.80	-53.37
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893636	0	33	-1.0	-52.52	282.72	5.90	-46.62
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893637	0	39	-1.0	-56.50	312.37	5.53	-50.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010893638	0	36	-1.0	-47.71	317.39	7.04	-40.67
COC(=O)C1=CC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010893639	0	44	-1.0	-58.69	362.78	8.67	-50.02
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893640	0	41	-1.0	-53.01	305.94	5.32	-47.69
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893641	0	41	-1.0	-58.45	325.46	5.36	-53.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010893642	0	39	-1.0	-49.64	298.42	4.02	-45.62
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010893643	0	37	-1.0	-45.72	311.60	5.47	-40.25
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010893644	0	35	-1.0	-48.74	306.09	6.76	-41.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(CF)C=C1	REAL300010893645	0	35	-1.0	-55.36	288.51	6.51	-48.85
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010893646	0	32	-1.0	-53.66	282.63	5.68	-47.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010893647	0	32	-1.0	-51.49	291.31	5.61	-45.88
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC(F)(F)CC1	REAL300010893648	0	37	-1.0	-48.05	287.80	4.84	-43.21
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893649	0	42	-1.0	-57.36	342.72	4.71	-52.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010893650	0	29	-1.0	-54.76	266.24	5.03	-49.73
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010893651	0	35	-1.0	-50.77	312.83	7.11	-43.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010893652	0	35	-1.0	-53.09	280.56	6.53	-46.56
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893653	0	43	-1.0	-70.41	344.21	7.74	-62.67
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010893654	0	43	-1.0	-58.05	327.94	8.45	-49.60
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893655	0	42	-1.0	-50.83	341.15	7.38	-43.45
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010893656	0	38	-1.0	-51.73	323.98	6.54	-45.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010893657	0	38	-1.0	-55.19	302.64	6.10	-49.09
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893658	0	37	-1.0	-57.68	321.76	6.28	-51.40
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010893659	0	39	-1.0	-62.47	316.00	4.07	-58.40
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893660	0	42	-1.0	-51.86	357.13	6.46	-45.40
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010893661	0	32	-1.0	-51.78	293.02	6.58	-45.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010893662	0	32	-1.0	-53.53	278.78	5.64	-47.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010893663	0	39	-1.0	-58.18	310.15	7.78	-50.40
COC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=CS1	REAL300010893664	0	33	-1.0	-57.44	287.19	4.24	-53.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010893665	0	35	-1.0	-52.35	289.21	6.78	-45.57
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893666	0	38	-1.0	-47.91	326.36	6.05	-41.86
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010893667	0	39	-1.0	-53.81	318.26	7.94	-45.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010893668	0	42	-1.0	-52.29	320.19	6.03	-46.26
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893669	0	41	-1.0	-52.00	314.64	5.26	-46.74
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893670	0	41	-1.0	-58.12	332.20	3.24	-54.88
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893671	0	35	-1.0	-57.25	314.04	2.20	-55.05
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893672	0	41	-1.0	-58.12	332.20	3.24	-54.88
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=CS1	REAL300010893673	0	33	-1.0	-56.05	286.97	5.97	-50.08
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010893674	0	35	-1.0	-56.72	282.97	6.72	-50.00
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893675	0	44	-1.0	-69.18	349.09	9.21	-59.97
CN(C1CCCCCC1)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893676	0	46	-1.0	-52.60	324.91	6.49	-46.11
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010893677	0	32	-1.0	-55.24	285.77	5.52	-49.72
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893678	0	36	-1.0	-55.31	303.96	5.69	-49.62
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010893679	0	46	-1.0	-57.82	358.38	4.55	-53.27
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893680	0	38	-1.0	-54.36	315.60	7.31	-47.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010893681	0	36	-1.0	-53.54	298.88	5.29	-48.25
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010893682	0	47	-1.0	-52.55	355.34	8.28	-44.27
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893683	0	33	-1.0	-50.28	283.82	4.14	-46.14
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010893684	0	43	-1.0	-69.82	335.70	8.17	-61.65
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010893685	0	40	-1.0	-50.62	315.36	5.73	-44.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300010893686	0	35	-1.0	-55.46	292.78	4.26	-51.20
CCOCC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893687	0	42	-1.0	-58.61	336.55	6.40	-52.21
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893688	0	41	-1.0	-55.66	337.50	7.38	-48.28
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893689	0	42	-1.0	-55.49	339.50	6.99	-48.50
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010893690	0	45	-1.0	-56.40	346.50	6.51	-49.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010893691	0	43	-1.0	-53.67	350.49	8.51	-45.16
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300010893692	0	35	-1.0	-54.41	276.76	6.17	-48.24
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893693	0	44	-1.0	-62.85	346.64	7.96	-54.89
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300010893694	0	38	-1.0	-52.10	318.21	7.44	-44.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010893695	0	37	-1.0	-57.17	324.54	7.30	-49.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=C(Cl)SC=N1	REAL300010893696	0	31	-1.0	-51.35	282.53	3.80	-47.55
N#CC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1F	REAL300010893697	0	33	-1.0	-49.20	289.43	6.18	-43.02
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010893698	0	36	-1.0	-47.24	301.89	5.19	-42.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010893699	0	32	-2.0	-111.09	275.64	4.39	-106.70
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1O	REAL300010893699	1	33	-1.0	-59.31	277.04	3.65	-55.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010893700	0	38	-1.0	-53.82	334.91	6.68	-47.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010893701	0	31	-1.0	-45.38	278.32	4.32	-41.06
N#CC1(OCCS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CCOCC1	REAL300010893702	0	44	-1.0	-57.07	346.96	3.42	-53.65
CCN1N=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1Cl	REAL300010893703	0	35	-1.0	-53.50	306.13	4.69	-48.81
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010893704	0	36	-1.0	-53.68	313.26	7.35	-46.33
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N1CCCC[C@H]1C(=O)[O-])=C2	REAL300010893705	0	38	-1.0	-49.25	345.17	6.92	-42.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010893706	0	32	-1.0	-55.90	290.54	6.76	-49.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010893707	0	34	-1.0	-43.96	304.79	5.06	-38.90
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010893708	0	37	-1.0	-70.08	321.92	7.02	-63.06
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010893709	0	37	-1.0	-54.65	312.11	6.31	-48.34
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010893710	0	34	-1.0	-43.96	304.79	5.06	-38.90
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300010893711	0	41	-1.0	-60.25	317.56	8.18	-52.07
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893712	0	36	-1.0	-56.54	312.43	7.02	-49.52
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010893713	0	39	-1.0	-54.18	318.86	5.96	-48.22
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893714	0	46	-1.0	-53.80	364.24	7.22	-46.58
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010893715	0	32	-1.0	-44.56	291.09	6.38	-38.18
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])O1	REAL300010893716	0	38	-1.0	-62.54	325.56	2.59	-59.95
CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010893717	0	42	-1.0	-62.51	339.64	6.66	-55.85
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010893718	0	38	-1.0	-57.82	333.94	3.77	-54.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010893719	0	36	-1.0	-53.18	301.41	6.90	-46.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010893720	0	36	-1.0	-56.52	316.30	7.44	-49.08
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010893721	0	36	-1.0	-52.66	316.29	7.46	-45.20
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010893722	0	37	-1.0	-55.08	306.44	-0.39	-55.47
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300010893723	0	35	-1.0	-61.85	284.94	5.91	-55.94
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300010893724	0	38	-1.0	-50.99	299.64	6.42	-44.57
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010893725	0	34	-1.0	-53.15	291.84	5.09	-48.06
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300010893726	0	40	-1.0	-50.63	317.73	2.91	-47.72
CC1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010893727	0	41	-1.0	-62.22	327.36	5.77	-56.45
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010893728	0	49	-1.0	-54.95	339.88	8.54	-46.41
CC1(C)COC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1	REAL300010893729	0	42	-1.0	-54.08	323.11	5.19	-48.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300010893730	0	35	-1.0	-56.85	293.89	1.40	-55.45
CC(C)(CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-])C(C)(F)F	REAL300010893731	0	40	-1.0	-52.08	301.93	6.11	-45.97
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893732	0	40	-1.0	-61.38	333.34	2.50	-58.88
CC1(C)CCC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])OC1	REAL300010893733	0	45	-1.0	-53.10	337.24	6.06	-47.04
CCOC(=O)C1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C2C=CC=CN21	REAL300010893734	0	44	-1.0	-66.72	364.81	7.89	-58.83
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300010893735	0	42	-1.0	-51.40	333.38	8.00	-43.40
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010893736	0	36	-1.0	-53.42	310.84	4.72	-48.70
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=C2C=C1	REAL300010893737	0	41	-1.0	-67.38	346.70	8.02	-59.36
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010893738	0	42	-1.0	-51.50	344.83	8.57	-42.93
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010893739	0	41	-1.0	-59.40	316.43	3.28	-56.12
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893740	0	41	-1.0	-59.60	335.88	6.59	-53.01
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010893741	0	45	-1.0	-52.78	330.47	7.72	-45.06
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010893742	0	36	-1.0	-52.91	304.02	7.02	-45.89
COC(=O)C1CCCCN1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893743	0	43	-1.0	-50.67	312.39	5.51	-45.16
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])=CC=C21	REAL300010893744	0	54	-1.0	-57.66	390.11	9.88	-47.78
N#CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010893745	0	35	-1.0	-42.70	306.38	6.50	-36.20
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893746	0	43	-1.0	-54.17	340.35	6.79	-47.38
CC1=CC=CC(CNS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893747	0	40	-1.0	-50.82	323.01	5.81	-45.01
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=NN1	REAL300010893748	0	38	-1.0	-54.37	320.31	3.42	-50.95
CCOC(=O)C1=N[N-]C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893748	1	37	-2.0	-115.63	316.74	3.27	-112.36
CCOC(=O)C1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=N[N-]1	REAL300010893748	1	37	-2.0	-115.57	316.75	3.26	-112.31
COC1=CSC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1OC	REAL300010893749	0	37	-1.0	-49.91	310.07	4.45	-45.46
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893750	0	35	-1.0	-53.21	316.49	5.54	-47.67
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010893751	0	44	-1.0	-54.51	320.61	6.18	-48.33
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893752	0	43	-1.0	-55.84	341.39	7.63	-48.21
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893753	0	36	-1.0	-54.06	305.25	6.38	-47.68
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010893754	0	36	-1.0	-55.54	305.92	6.11	-49.43
COC1=CC(F)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010893755	0	36	-1.0	-60.32	298.60	5.42	-54.90
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010893756	0	36	-1.0	-50.97	306.41	5.33	-45.64
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893757	0	38	-1.0	-54.70	308.52	5.83	-48.87
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010893758	0	35	-1.0	-57.56	290.54	6.75	-50.81
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010893759	0	41	-1.0	-54.48	339.83	6.19	-48.29
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010893760	0	29	-1.0	-44.04	285.14	5.78	-38.26
CN1N=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1Cl	REAL300010893761	0	32	-1.0	-53.41	284.34	3.80	-49.61
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893762	0	45	-1.0	-57.49	355.57	8.26	-49.23
CC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010893763	0	49	-1.0	-54.54	378.85	7.57	-46.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010893764	0	35	-1.0	-44.01	314.32	6.87	-37.14
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010893765	0	37	-1.0	-57.22	312.78	6.36	-50.86
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893766	0	40	-1.0	-59.79	316.93	4.96	-54.83
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010893767	0	43	-1.0	-54.00	350.57	8.66	-45.34
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893768	0	38	-1.0	-63.36	297.22	7.14	-56.22
COC(=O)C1=CNN=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893769	0	35	-1.0	-65.26	294.53	3.52	-61.74
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010893770	0	37	-1.0	-60.13	314.53	4.30	-55.83
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010893771	0	33	-1.0	-50.67	305.89	4.61	-46.06
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893772	0	34	-1.0	-49.42	285.17	4.80	-44.62
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893773	0	43	-1.0	-62.29	342.97	7.32	-54.97
CCN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300010893774	0	42	-1.0	-54.46	340.64	6.56	-47.90
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300010893775	0	36	-1.0	-63.28	303.16	5.16	-58.12
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010893776	0	38	-1.0	-55.84	324.75	8.54	-47.30
CC(=O)OC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C1	REAL300010893777	0	40	-1.0	-55.32	320.78	4.94	-50.38
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010893778	0	42	-1.0	-54.46	351.85	9.62	-44.84
COC(=O)C1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C(Cl)S1	REAL300010893779	0	35	-1.0	-57.08	316.28	6.05	-51.03
CCC1=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010893780	0	38	-1.0	-51.29	319.99	7.57	-43.72
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893781	0	45	-1.0	-53.73	348.62	6.91	-46.82
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300010893782	0	29	-1.0	-46.35	269.03	5.22	-41.13
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893783	0	46	-1.0	-62.06	367.85	6.09	-55.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010893784	0	38	-1.0	-56.41	317.24	8.29	-48.12
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893785	0	40	-1.0	-52.98	313.20	3.55	-49.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300010893786	0	39	-1.0	-56.26	301.30	7.60	-48.66
CC1(C)CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893787	0	43	-1.0	-52.01	312.26	5.72	-46.29
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC(CO)CC1	REAL300010893788	0	41	-1.0	-51.36	309.45	2.13	-49.23
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893789	0	46	-1.0	-62.46	373.16	5.91	-56.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010893790	0	47	-1.0	-55.52	362.86	6.08	-49.44
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893791	0	35	-1.0	-52.35	305.62	3.54	-48.81
COC1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893792	0	38	-1.0	-54.09	308.00	3.06	-51.03
CC(C)CN1C=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=N1	REAL300010893793	0	41	-1.0	-49.71	327.61	5.68	-44.03
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893794	0	41	-1.0	-53.55	325.31	5.15	-48.40
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010893795	0	31	-1.0	-53.57	289.60	4.15	-49.42
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010893796	0	42	-1.0	-54.67	321.90	3.36	-51.31
COCC1=CC(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=NO1	REAL300010893797	0	38	-1.0	-52.13	317.21	3.57	-48.56
N#CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])SC=C1	REAL300010893798	0	30	-1.0	-55.47	270.67	4.86	-50.61
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010893799	0	35	-1.0	-68.17	308.48	5.28	-62.89
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010893800	0	30	-1.0	-53.62	274.64	4.25	-49.37
CC(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893801	0	36	-1.0	-64.43	308.65	3.73	-60.70
CC1=C(C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C(C)S1	REAL300010893802	0	38	-1.0	-59.22	305.63	7.17	-52.05
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC=C1Cl	REAL300010893803	0	31	-1.0	-57.86	270.56	4.96	-52.90
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893804	0	36	-1.0	-58.58	312.65	6.20	-52.38
COC1=CC=NC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893805	0	35	-1.0	-59.32	287.09	3.62	-55.70
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010893806	0	34	-1.0	-52.70	297.59	5.37	-47.33
COC1=NC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1Cl	REAL300010893807	0	35	-1.0	-48.04	298.89	2.81	-45.23
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893808	0	41	-1.0	-54.94	340.97	4.79	-50.15
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])S1	REAL300010893808	1	40	-2.0	-113.48	340.35	3.27	-110.21
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893809	0	39	-1.0	-58.32	324.27	3.63	-54.69
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010893810	0	36	-1.0	-49.63	325.92	7.75	-41.88
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010893811	0	37	-1.0	-50.84	311.06	7.37	-43.47
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010893812	0	31	-1.0	-55.30	282.84	5.25	-50.05
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])N=C1	REAL300010893813	0	43	-1.0	-62.29	336.31	6.62	-55.67
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893814	0	38	-1.0	-52.00	303.87	4.53	-47.47
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300010893815	0	40	-1.0	-57.13	315.01	6.58	-50.55
COC(=O)C1=NC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C	REAL300010893816	0	40	-1.0	-53.43	327.35	5.02	-48.41
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893817	0	35	-1.0	-58.42	297.00	7.23	-51.19
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010893818	0	39	-1.0	-51.97	310.54	5.48	-46.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010893819	0	39	-1.0	-59.29	315.39	6.35	-52.94
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010893820	0	34	-1.0	-58.19	293.99	5.24	-52.95
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300010893821	0	37	-1.0	-57.57	295.42	6.14	-51.43
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300010893822	0	41	-1.0	-61.23	324.28	5.14	-56.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010893823	0	39	-1.0	-59.74	322.42	7.92	-51.82
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010893824	0	34	-1.0	-50.64	287.89	4.68	-45.96
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300010893825	0	32	-1.0	-51.35	277.97	6.25	-45.10
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=C1NCCC2	REAL300010893826	0	44	-1.0	-56.69	327.29	6.16	-50.53
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1	REAL300010893827	0	46	-1.0	-53.91	370.57	9.23	-44.68
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010893828	0	39	-1.0	-56.69	322.42	7.93	-48.76
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CSC=C1Br	REAL300010893829	0	29	-1.0	-48.66	268.37	5.03	-43.63
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC(Cl)=CC=C12	REAL300010893830	0	36	-1.0	-51.14	315.60	6.27	-44.87
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893831	0	34	-1.0	-49.56	289.76	4.88	-44.68
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010893832	0	37	-1.0	-65.01	294.48	6.61	-58.40
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893833	0	41	-1.0	-60.45	323.91	7.12	-53.33
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010893834	0	43	-1.0	-57.94	345.91	9.78	-48.16
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010893835	0	35	-1.0	-56.62	301.24	6.70	-49.92
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010893836	0	31	-1.0	-48.42	276.58	4.44	-43.98
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010893837	0	34	-1.0	-59.65	285.15	5.99	-53.66
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300010893838	0	35	-1.0	-49.07	288.46	5.30	-43.77
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893839	0	40	-1.0	-57.94	315.33	1.36	-56.58
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300010893840	0	39	-1.0	-50.68	281.06	3.50	-47.18
N#CC1CCN(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])CC1	REAL300010893841	0	38	-1.0	-52.83	298.12	5.10	-47.73
CC1=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300010893842	0	34	-1.0	-57.07	297.14	5.65	-51.42
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010893843	0	31	-1.0	-54.20	285.37	5.51	-48.69
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010893844	0	36	-1.0	-59.06	308.70	4.97	-54.09
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010893845	0	36	-1.0	-53.18	301.41	6.90	-46.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010893846	0	36	-1.0	-52.85	311.73	7.35	-45.50
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893847	0	41	-1.0	-62.47	342.48	5.35	-57.12
COC1=CC=NC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893848	0	35	-1.0	-57.10	288.01	3.67	-53.43
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010893849	0	39	-1.0	-61.25	312.90	7.71	-53.54
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(Cl)=C1Cl	REAL300010893850	0	35	-1.0	-49.53	305.62	7.04	-42.49
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010893851	0	36	-1.0	-48.17	314.91	5.63	-42.54
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300010893852	0	39	-1.0	-60.03	308.77	5.83	-54.20
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C1C(=O)OC	REAL300010893853	0	45	-1.0	-52.14	364.87	7.31	-44.83
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2C1	REAL300010893854	0	45	-1.0	-56.77	360.42	8.22	-48.55
COC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])N=C1	REAL300010893855	0	35	-1.0	-60.48	289.32	3.61	-56.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893856	0	38	-1.0	-52.84	328.14	3.90	-48.94
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893857	0	38	-1.0	-55.36	325.68	7.40	-47.96
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893858	0	37	-1.0	-61.08	298.58	4.89	-56.19
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893859	0	38	-1.0	-69.58	312.67	7.56	-62.02
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010893860	0	37	-1.0	-56.10	295.94	5.89	-50.21
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1I	REAL300010893861	0	32	-1.0	-51.30	276.99	6.40	-44.90
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893862	0	38	-1.0	-65.20	306.51	5.75	-59.45
COC(=O)C1=NC2=CC=C(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010893863	0	43	-1.0	-51.30	357.50	6.69	-44.61
CC1=CC=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300010893864	0	40	-1.0	-64.44	320.54	6.99	-57.45
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(Br)C=NS1	REAL300010893865	0	28	-1.0	-45.48	262.98	4.07	-41.41
NC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893866	0	34	-1.0	-54.98	296.97	4.16	-50.82
O=C([O-])[C@@H]1CCCCN1C(=O)N1CCC(C(F)(F)F)CC1	REAL300010893867	0	39	-1.0	-68.28	298.62	8.54	-59.74
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	REAL300010893868	0	34	-1.0	-57.92	284.49	5.62	-52.30
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010893869	0	34	-1.0	-66.85	281.40	5.66	-61.19
CC1=C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])C=C(Cl)S1	REAL300010893870	0	32	-1.0	-55.50	285.63	5.95	-49.55
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010893871	0	34	-1.0	-59.94	292.65	5.30	-54.64
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010893872	0	39	-1.0	-50.51	337.96	6.77	-43.74
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCCC[C@H]1C(=O)[O-])C2	REAL300010893873	0	49	-1.0	-58.17	332.22	10.25	-47.92
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])=C1	REAL300010893874	0	45	-1.0	-60.60	352.83	7.81	-52.79
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010893875	0	36	-2.0	-130.86	307.43	5.55	-125.31
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010893875	1	37	-1.0	-64.68	314.62	5.05	-59.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)C1	REAL300010893876	0	38	-1.0	-50.58	325.18	7.49	-43.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CN=C2Cl)C1	REAL300010893877	0	31	-1.0	-48.97	275.06	3.39	-45.58
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300010893878	0	32	-1.0	-50.09	294.65	5.58	-44.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300010893879	0	32	-1.0	-49.69	280.98	5.23	-44.46
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300010893880	0	44	-1.0	-49.52	330.53	7.43	-42.09
COC(=O)CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010893881	0	41	-1.0	-49.66	339.36	5.46	-44.20
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893882	0	38	-1.0	-59.55	318.87	6.64	-52.91
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893883	0	41	-1.0	-48.32	350.01	6.56	-41.76
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300010893884	0	32	-1.0	-47.67	295.16	5.70	-41.97
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010893885	0	38	-1.0	-59.04	328.89	5.71	-53.33
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893886	0	44	-1.0	-49.00	349.58	7.28	-41.72
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893887	0	41	-1.0	-48.93	333.61	6.89	-42.04
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893888	0	44	-1.0	-48.91	352.05	7.55	-41.36
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893889	0	43	-1.0	-53.14	368.98	2.96	-50.18
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C1	REAL300010893890	0	36	-1.0	-53.76	309.15	1.81	-51.95
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893891	0	42	-1.0	-53.37	355.59	3.98	-49.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300010893892	0	34	-1.0	-45.60	307.08	5.86	-39.74
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300010893893	0	32	-1.0	-51.59	294.19	6.23	-45.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300010893894	0	29	-1.0	-46.15	281.90	4.60	-41.55
CCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893895	0	41	-1.0	-48.85	337.77	7.18	-41.67
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300010893896	0	32	-1.0	-46.16	300.27	5.81	-40.35
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300010893897	0	36	-1.0	-51.71	323.25	4.93	-46.78
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893898	0	43	-1.0	-54.15	352.12	3.71	-50.44
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010893899	0	32	-1.0	-54.48	286.84	4.98	-49.50
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300010893900	0	32	-1.0	-46.84	306.86	6.03	-40.81
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2Cl)C1	REAL300010893901	0	32	-1.0	-49.77	278.86	5.18	-44.59
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893902	0	44	-1.0	-53.98	382.92	6.29	-47.69
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893903	0	44	-1.0	-59.34	367.64	7.18	-52.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=CC=C2F)C1	REAL300010893904	0	32	-1.0	-54.57	281.87	5.28	-49.29
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)N=C2)C1	REAL300010893905	0	31	-1.0	-49.67	284.80	3.62	-46.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2F)C1	REAL300010893906	0	32	-1.0	-46.86	292.63	5.44	-41.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C1	REAL300010893907	0	35	-1.0	-46.76	311.48	6.70	-40.06
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010893908	0	35	-1.0	-47.14	312.84	6.15	-40.99
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1NC(C)=O	REAL300010893909	0	43	-1.0	-61.19	357.97	3.26	-57.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010893910	0	36	-1.0	-47.87	319.39	4.74	-43.13
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300010893911	0	47	-1.0	-50.73	343.09	7.90	-42.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300010893912	0	41	-1.0	-48.70	336.20	4.91	-43.79
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010893913	0	37	-1.0	-46.61	317.60	6.15	-40.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)S2)C1	REAL300010893914	0	29	-1.0	-46.14	286.53	4.71	-41.43
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300010893915	0	38	-1.0	-47.49	327.93	7.27	-40.22
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893916	0	36	-1.0	-47.14	317.09	5.45	-41.69
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893917	0	50	-1.0	-47.89	369.63	8.60	-39.29
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300010893918	0	48	-1.0	-48.80	375.20	8.76	-40.04
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300010893919	0	35	-1.0	-46.99	312.13	5.96	-41.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300010893920	0	42	-1.0	-49.25	336.10	7.45	-41.80
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893921	0	40	-1.0	-50.16	325.25	4.11	-46.05
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300010893922	0	40	-1.0	-51.68	332.11	4.16	-47.52
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)C1	REAL300010893923	0	42	-1.0	-49.36	370.65	4.54	-44.82
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300010893924	0	39	-1.0	-50.54	318.88	6.91	-43.63
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010893925	0	39	-1.0	-54.36	347.67	3.13	-51.23
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300010893926	0	40	-1.0	-49.76	327.85	7.37	-42.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2F)C1	REAL300010893927	0	32	-1.0	-49.52	280.59	4.93	-44.59
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893928	0	42	-1.0	-65.38	333.10	4.19	-61.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010893929	0	29	-1.0	-44.74	286.34	4.75	-39.99
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893930	0	47	-1.0	-48.79	376.87	8.46	-40.33
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300010893931	0	38	-1.0	-53.29	308.12	7.28	-46.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300010893932	0	42	-1.0	-50.37	347.56	8.38	-41.99
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300010893933	0	35	-1.0	-45.92	317.70	6.19	-39.73
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893934	0	35	-1.0	-50.74	283.16	5.35	-45.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010893935	0	32	-1.0	-46.81	310.50	6.71	-40.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893936	0	47	-1.0	-49.08	363.83	7.75	-41.33
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010893937	0	35	-1.0	-46.57	308.81	6.07	-40.50
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C1	REAL300010893938	0	32	-1.0	-46.01	291.93	5.16	-40.85
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010893939	0	35	-1.0	-50.05	297.31	5.60	-44.45
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010893940	0	32	-1.0	-46.73	301.20	5.53	-41.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C1	REAL300010893941	0	35	-1.0	-48.97	313.05	5.88	-43.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010893942	0	32	-1.0	-46.70	301.19	5.53	-41.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010893943	0	32	-1.0	-46.76	286.89	4.98	-41.78
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300010893944	0	33	-1.0	-50.74	289.19	3.73	-47.01
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010893945	0	35	-1.0	-47.08	300.09	5.66	-41.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300010893946	0	35	-1.0	-44.66	317.70	6.02	-38.64
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300010893947	0	37	-1.0	-57.31	307.37	6.05	-51.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C1	REAL300010893948	0	35	-1.0	-49.53	308.20	6.54	-42.99
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300010893949	0	43	-1.0	-50.22	378.11	8.34	-41.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2F)C1	REAL300010893950	0	32	-1.0	-55.14	290.49	5.37	-49.77
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(F)C=C2Br)C1	REAL300010893951	0	32	-1.0	-46.13	287.49	5.32	-40.81
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893952	0	38	-1.0	-49.18	326.07	5.46	-43.72
CC1=CC=C(F)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893953	0	35	-1.0	-53.32	295.74	5.54	-47.78
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010893954	0	36	-1.0	-52.99	309.06	4.34	-48.65
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010893955	0	35	-1.0	-46.52	300.07	5.67	-40.85
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010893956	0	32	-1.0	-49.03	287.84	5.32	-43.71
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010893957	0	32	-1.0	-48.89	300.35	5.63	-43.26
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300010893958	0	47	-1.0	-49.67	391.58	7.08	-42.59
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010893959	0	39	-1.0	-51.10	343.23	4.48	-46.62
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893960	0	43	-1.0	-47.01	325.86	5.33	-41.68
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010893961	0	48	-1.0	-52.36	377.59	8.26	-44.10
N#CC1=CC=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893962	0	36	-1.0	-56.47	317.97	6.10	-50.37
CC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300010893963	0	35	-1.0	-49.71	310.80	6.70	-43.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300010893964	0	35	-1.0	-50.78	329.06	6.68	-44.10
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010893965	0	42	-1.0	-52.52	336.37	6.63	-45.89
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010893966	0	39	-1.0	-50.44	323.94	2.41	-48.03
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010893967	0	40	-1.0	-53.14	335.16	2.35	-50.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893968	0	37	-1.0	-45.76	305.36	5.94	-39.82
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010893969	0	39	-1.0	-55.40	332.20	3.81	-51.59
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893970	0	37	-1.0	-54.80	300.10	5.76	-49.04
CN1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Cl	REAL300010893971	0	32	-1.0	-54.76	291.86	4.49	-50.27
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893972	0	35	-1.0	-47.69	300.76	5.71	-41.98
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010893973	0	38	-1.0	-48.72	344.45	6.14	-42.58
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=N2)C1	REAL300010893974	0	31	-1.0	-49.87	291.23	3.65	-46.22
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893975	0	41	-1.0	-60.88	358.41	3.16	-57.72
CC(=O)NC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010893976	0	39	-1.0	-57.78	335.36	3.96	-53.82
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C21	REAL300010893977	0	46	-1.0	-57.68	364.98	6.54	-51.14
CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893978	0	37	-1.0	-61.16	322.43	1.00	-60.16
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300010893979	0	42	-1.0	-48.39	322.02	5.19	-43.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2Br)C1	REAL300010893980	0	32	-1.0	-46.90	285.59	5.26	-41.64
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C21	REAL300010893981	0	43	-1.0	-49.39	356.68	4.46	-44.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300010893982	0	35	-1.0	-51.25	317.97	6.34	-44.91
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CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893986	0	40	-1.0	-54.62	327.21	7.26	-47.36
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893987	0	44	-1.0	-48.81	354.56	7.64	-41.17
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CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010893990	0	35	-1.0	-49.93	293.51	5.81	-44.12
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893991	0	48	-1.0	-48.16	385.32	7.28	-40.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300010893992	0	46	-1.0	-49.53	367.42	7.15	-42.38
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893993	0	45	-1.0	-48.15	366.33	6.68	-41.47
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010893994	0	42	-1.0	-48.27	346.25	5.98	-42.29
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010893995	0	36	-1.0	-51.75	318.86	4.82	-46.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300010893996	0	36	-1.0	-50.41	328.62	5.09	-45.32
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300010893997	0	39	-1.0	-50.13	322.91	5.01	-45.12
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010893998	0	45	-1.0	-49.75	362.72	6.56	-43.19
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010893999	0	39	-1.0	-48.56	306.62	4.56	-44.00
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894000	0	43	-1.0	-50.04	358.35	4.46	-45.58
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010894506	0	35	-1.0	-47.29	328.40	6.49	-40.80
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894507	0	43	-1.0	-58.50	348.65	3.67	-54.83
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010894508	0	38	-1.0	-50.51	336.45	5.81	-44.70
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010894509	0	42	-1.0	-52.92	363.91	4.27	-48.65
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010894510	0	43	-1.0	-63.15	372.25	6.79	-56.36
COC1=CC=C(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894511	0	42	-1.0	-50.83	348.21	5.76	-45.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010894512	0	35	-1.0	-53.39	312.01	3.83	-49.56
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010894513	0	43	-1.0	-53.12	354.51	6.34	-46.78
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010894514	0	40	-1.0	-57.61	325.31	6.60	-51.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010894515	0	35	-1.0	-50.43	307.56	5.90	-44.53
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010894516	0	35	-1.0	-46.50	314.64	5.93	-40.57
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894517	0	35	-1.0	-47.59	315.64	6.26	-41.33
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894518	0	36	-1.0	-52.71	301.48	5.58	-47.13
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894519	0	43	-1.0	-57.44	351.48	4.81	-52.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010894520	0	44	-1.0	-51.20	361.78	4.65	-46.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010894521	0	40	-1.0	-50.64	342.80	6.29	-44.35
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010894522	0	42	-1.0	-52.92	363.91	4.27	-48.65
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894523	0	40	-1.0	-50.84	324.62	5.36	-45.48
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010894524	0	35	-1.0	-51.54	319.74	6.28	-45.26
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(OC)=C1	REAL300010894525	0	42	-1.0	-51.29	352.51	5.47	-45.82
COC(=O)C1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=CS1	REAL300010894526	0	38	-1.0	-51.94	321.06	5.81	-46.13
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010894527	0	36	-1.0	-47.67	309.09	4.33	-43.34
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894528	0	43	-1.0	-53.39	358.69	5.07	-48.32
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894529	0	46	-1.0	-50.79	385.07	6.21	-44.58
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894530	0	41	-1.0	-52.54	328.72	7.20	-45.34
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010894531	0	46	-1.0	-50.03	383.27	8.40	-41.63
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894532	0	40	-1.0	-56.58	341.19	7.20	-49.38
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894533	0	44	0.0	-75.81	351.77	6.86	-68.95
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894534	0	40	-1.0	-50.91	325.88	5.39	-45.52
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010894535	0	47	-1.0	-49.08	397.08	7.65	-41.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300010894536	0	35	-1.0	-50.40	308.84	5.59	-44.81
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894537	0	44	-1.0	-56.55	353.34	6.85	-49.70
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010894538	0	32	-1.0	-43.85	298.98	5.67	-38.18
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894539	0	32	-1.0	-46.27	302.38	5.22	-41.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010894540	0	38	-1.0	-49.45	319.06	5.48	-43.97
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894541	0	36	-1.0	-49.35	305.36	4.22	-45.13
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010894542	0	40	-1.0	-62.76	324.12	7.77	-54.99
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010894543	0	38	-1.0	-50.26	334.40	6.73	-43.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010894544	0	42	-1.0	-47.25	353.69	7.53	-39.72
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894545	0	35	-1.0	-42.87	303.99	5.94	-36.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010894546	0	37	-1.0	-53.97	314.56	5.33	-48.64
CC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894547	0	38	-1.0	-50.18	323.89	6.41	-43.77
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010894548	0	40	-1.0	-56.54	326.26	6.62	-49.92
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010894549	0	32	-1.0	-47.62	297.23	5.78	-41.84
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010894550	0	42	-1.0	-47.25	353.69	7.53	-39.72
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010894551	0	31	-1.0	-45.88	291.12	3.66	-42.22
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010894552	0	32	-1.0	-48.32	309.47	6.04	-42.28
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010894553	0	43	-1.0	-51.91	369.94	4.82	-47.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010894554	0	32	-1.0	-49.09	294.46	5.40	-43.69
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894555	0	42	-1.0	-51.96	331.34	6.47	-45.49
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894556	0	35	-1.0	-49.85	300.11	1.67	-48.18
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C#N	REAL300010894557	0	36	-1.0	-48.24	313.32	5.86	-42.38
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894558	0	38	-1.0	-54.21	332.66	5.66	-48.55
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894559	0	36	-1.0	-47.32	312.50	5.34	-41.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010894560	0	33	-1.0	-46.58	300.88	3.75	-42.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010894561	0	45	-1.0	-52.31	362.15	8.29	-44.02
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=NO1	REAL300010894562	0	43	-1.0	-54.69	355.27	5.72	-48.97
O=C([O-])[C@H]1CCCN(C(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010894563	0	49	-1.0	-54.69	365.66	10.77	-43.92
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010894564	0	46	-1.0	-51.36	361.59	7.12	-44.24
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894565	0	39	-1.0	-47.74	306.35	4.53	-43.21
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894566	0	37	-1.0	-52.88	323.31	3.81	-49.07
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300010894567	0	33	-1.0	-49.99	313.84	5.87	-44.12
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010894568	0	34	-1.0	-47.57	320.64	6.27	-41.30
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010894569	0	39	-1.0	-45.26	322.42	5.12	-40.14
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894570	0	38	-1.0	-47.82	346.04	5.85	-41.97
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894571	0	39	-1.0	-52.66	321.71	4.80	-47.86
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300010894572	0	40	-1.0	-48.38	335.64	4.33	-44.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010894573	0	36	-1.0	-51.15	318.81	4.61	-46.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010894574	0	35	-1.0	-44.73	317.67	6.02	-38.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300010894575	0	43	-1.0	-51.13	365.23	1.94	-49.19
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2S1	REAL300010894576	0	44	-1.0	-48.85	388.01	8.01	-40.84
N#CCC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894577	0	36	-1.0	-55.33	315.63	6.12	-49.21
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010894578	0	38	-1.0	-56.88	324.89	4.67	-52.21
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894579	0	37	-1.0	-59.20	329.71	0.59	-58.61
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894580	0	38	-1.0	-48.84	330.58	5.59	-43.25
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894581	0	40	-1.0	-58.27	342.97	6.52	-51.75
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010894582	0	36	-1.0	-48.78	310.56	4.55	-44.23
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)OCO2	REAL300010894583	0	38	-1.0	-52.67	305.86	4.01	-48.66
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894584	0	38	-1.0	-57.61	317.04	6.12	-51.49
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010894585	0	32	-1.0	-46.25	295.70	5.70	-40.55
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COC1=CN=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894594	0	35	-1.0	-49.82	297.97	2.44	-47.38
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COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300010894596	0	42	-1.0	-50.26	355.44	5.69	-44.57
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CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894599	0	35	-1.0	-53.98	318.34	2.46	-51.52
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894599	1	34	-2.0	-96.76	315.05	1.33	-95.43
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CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894602	0	41	-1.0	-60.56	342.44	7.72	-52.84
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CCOC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894605	0	39	-1.0	-53.19	324.73	5.18	-48.01
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=C2O1	REAL300010894606	0	43	-1.0	-53.51	349.97	6.23	-47.28
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COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894608	0	41	-1.0	-53.16	342.18	3.54	-49.62
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COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894610	0	39	-1.0	-51.29	343.34	5.56	-45.73
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CCN(CC(C)C#N)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894612	0	40	-1.0	-50.69	324.54	4.71	-45.98
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N#CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894615	0	33	-1.0	-54.91	299.37	5.42	-49.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894616	0	38	-1.0	-45.35	316.24	6.28	-39.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010894617	0	38	-1.0	-57.21	326.94	6.18	-51.03
COCCOCCOCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894618	0	46	-1.0	-54.71	381.89	2.33	-52.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894619	0	42	-1.0	-55.55	356.61	2.35	-53.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010894620	0	32	-1.0	-47.46	293.23	5.74	-41.72
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2CC1	REAL300010894621	0	49	-1.0	-54.41	386.54	6.95	-47.46
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010894622	0	41	-1.0	-47.20	358.31	6.43	-40.77
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1OC	REAL300010894623	0	42	-1.0	-48.68	362.76	6.65	-42.03
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894624	0	41	-1.0	-47.52	341.31	7.33	-40.19
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894625	0	41	-1.0	-49.16	340.26	7.17	-41.99
CN(C(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300010894626	0	39	-1.0	-50.69	305.68	3.21	-47.48
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894627	0	42	-1.0	-56.33	353.15	4.00	-52.33
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CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010894630	0	41	-1.0	-48.39	363.27	6.84	-41.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010894631	0	34	-1.0	-53.24	316.00	6.64	-46.60
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010894632	0	41	-1.0	-60.83	334.76	2.14	-58.69
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894633	0	40	-1.0	-52.19	335.73	6.21	-45.98
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1OC	REAL300010894634	0	43	-1.0	-52.21	364.17	4.79	-47.42
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010894635	0	44	-1.0	-49.83	366.86	6.99	-42.84
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894636	0	46	-1.0	-62.84	384.89	3.15	-59.69
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894637	0	43	-1.0	-50.95	351.02	4.55	-46.40
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894638	0	45	-1.0	-49.88	372.44	6.41	-43.47
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010894639	0	44	-1.0	-47.74	366.03	7.07	-40.67
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300010894640	0	35	-1.0	-49.14	302.89	6.07	-43.07
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894641	0	44	-1.0	-53.94	372.16	7.32	-46.62
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894642	0	38	-1.0	-54.64	337.75	7.55	-47.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010894643	0	35	-1.0	-48.43	311.39	6.70	-41.73
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894644	0	48	-1.0	-49.28	373.98	6.35	-42.93
CC1=C(CCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)SC=N1	REAL300010894645	0	37	-1.0	-52.04	322.58	4.23	-47.81
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010894646	0	38	-1.0	-50.74	335.40	7.00	-43.74
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894647	0	41	-1.0	-51.44	350.76	6.43	-45.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010894648	0	42	-1.0	-49.64	347.58	8.38	-41.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894649	0	46	-1.0	-52.88	392.55	2.75	-50.13
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010894650	0	35	-1.0	-52.35	313.88	6.27	-46.08
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1C	REAL300010894651	0	44	-1.0	-48.60	375.39	6.19	-42.41
CS(=O)(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010894652	0	38	-1.0	-56.04	343.88	2.89	-53.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010894653	0	36	-1.0	-51.15	321.13	5.83	-45.32
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010894654	0	35	-1.0	-48.39	307.58	5.88	-42.51
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894655	0	34	-1.0	-47.96	291.87	3.95	-44.01
CC1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010894656	0	35	-1.0	-53.29	314.03	4.44	-48.85
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010894657	0	33	-1.0	-50.42	296.73	3.82	-46.60
COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894658	0	40	-1.0	-50.54	322.32	4.95	-45.59
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894659	0	45	-1.0	-62.58	367.30	5.81	-56.77
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010894660	0	35	-2.0	-105.84	312.61	4.60	-101.24
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010894660	1	36	-1.0	-45.69	310.94	4.09	-41.60
CCOC(=O)CC1(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894661	0	41	-1.0	-57.03	331.19	6.47	-50.56
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COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894663	0	43	-1.0	-53.70	366.76	4.36	-49.34
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010894664	0	47	-1.0	-47.84	386.27	7.79	-40.05
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894665	0	44	-1.0	-55.52	377.07	4.17	-51.35
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COC(=O)C1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1	REAL300010894667	0	44	-1.0	-57.80	342.26	6.74	-51.06
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COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894669	0	39	-1.0	-48.74	344.74	5.21	-43.53
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010894670	0	38	-1.0	-46.94	327.77	6.48	-40.46
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COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894672	0	41	-1.0	-54.24	350.30	6.40	-47.84
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COC(=O)C1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1	REAL300010894676	0	41	-1.0	-55.14	332.70	5.41	-49.73
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COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894679	0	45	-1.0	-56.51	383.24	5.33	-51.18
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894680	0	48	-1.0	-56.50	405.06	6.26	-50.24
COC(=O)C1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCC1	REAL300010894681	0	47	-1.0	-58.18	350.90	7.33	-50.85
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN=C1C	REAL300010894682	0	40	-1.0	-48.28	339.60	4.30	-43.98
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CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894684	0	41	-1.0	-52.01	366.77	7.05	-44.96
N#CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894685	0	33	-1.0	-50.87	300.05	5.41	-45.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2CCOCC2)C1	REAL300010894686	0	42	-1.0	-50.67	330.61	4.25	-46.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010894687	0	48	-1.0	-57.41	406.54	6.83	-50.58
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300010894688	0	35	-1.0	-49.56	302.16	5.34	-44.22
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010894689	0	34	-1.0	-46.05	314.62	4.42	-41.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010894690	0	45	-1.0	-49.50	331.32	7.01	-42.49
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010894691	0	41	-1.0	-53.83	338.22	6.56	-47.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010894692	0	33	-1.0	-47.48	306.23	4.29	-43.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010894693	0	38	-1.0	-53.53	328.86	6.58	-46.95
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010894694	0	35	-1.0	-49.82	301.29	3.39	-46.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010894695	0	34	-1.0	-48.04	308.91	7.10	-40.94
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010894696	0	41	-1.0	-50.15	344.93	6.05	-44.10
CC1=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010894697	0	40	-1.0	-52.32	349.85	6.36	-45.96
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010894698	0	41	-1.0	-50.11	325.66	6.21	-43.90
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010894699	0	42	-1.0	-50.28	352.69	5.75	-44.53
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300010894700	0	59	-1.0	-49.32	429.89	10.78	-38.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010894701	0	37	-1.0	-52.10	321.94	6.48	-45.62
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894702	0	44	-1.0	-53.64	373.35	7.31	-46.33
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894703	0	37	-1.0	-55.96	309.29	4.70	-51.26
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894704	0	39	-1.0	-49.07	341.95	5.27	-43.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300010894705	0	39	-1.0	-49.01	322.62	7.07	-41.94
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)CCC2=C1	REAL300010894706	0	44	-1.0	-49.84	357.30	6.67	-43.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010894707	0	40	-1.0	-50.20	333.93	5.93	-44.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010894708	0	35	-1.0	-51.15	309.59	5.41	-45.74
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010894709	0	35	-1.0	-50.21	323.74	6.79	-43.42
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010894710	0	35	-1.0	-51.32	324.16	6.38	-44.94
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894711	0	41	-1.0	-64.23	357.81	3.23	-61.00
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300010894712	0	35	-1.0	-53.37	301.16	5.30	-48.07
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300010894713	0	44	-1.0	-50.44	339.45	6.69	-43.75
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300010894714	0	41	-1.0	-50.62	340.68	7.91	-42.71
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CS2)C1	REAL300010894715	0	29	-1.0	-50.49	281.39	4.52	-45.97
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894716	0	41	-1.0	-52.65	348.53	6.41	-46.24
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010894717	0	47	-1.0	-54.35	394.99	5.52	-48.83
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894718	0	45	-1.0	-57.01	369.36	5.32	-51.69
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010894719	0	35	-1.0	-52.73	316.05	6.18	-46.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010894720	0	38	-1.0	-55.91	318.91	7.10	-48.81
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(CC)=C1	REAL300010894721	0	50	-1.0	-47.16	365.27	9.01	-38.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300010894722	0	37	-1.0	-49.15	309.19	4.81	-44.34
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010894723	0	39	-1.0	-58.06	329.38	4.73	-53.33
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010894724	0	34	-1.0	-53.40	321.55	4.89	-48.51
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010894725	0	40	-1.0	-47.52	341.26	4.69	-42.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010894726	0	40	-1.0	-52.81	344.52	3.57	-49.24
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894727	0	37	-1.0	-52.60	327.61	-0.09	-52.69
CC(C)(CCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300010894728	0	43	-1.0	-64.57	346.70	2.08	-62.49
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010894729	0	36	-1.0	-47.43	318.89	4.82	-42.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C1	REAL300010894730	0	35	-1.0	-51.30	307.45	2.43	-48.87
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894731	0	45	-1.0	-55.38	365.03	5.86	-49.52
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300010894732	0	37	-1.0	-53.33	308.32	4.84	-48.49
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010894733	0	41	-1.0	-51.78	340.19	7.85	-43.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010894734	0	36	-1.0	-44.08	311.94	5.16	-38.92
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010894735	0	36	-1.0	-44.11	322.27	5.62	-38.49
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894736	0	41	-1.0	-56.47	355.75	6.44	-50.03
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894737	0	45	-1.0	-51.63	371.60	6.43	-45.20
COC(CC(C)C)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894738	0	44	-1.0	-50.40	343.62	5.20	-45.20
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894739	0	36	-1.0	-47.50	302.17	4.89	-42.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010894740	0	35	-1.0	-47.25	332.04	6.76	-40.49
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCC2CCOC2)C1	REAL300010894741	0	42	-1.0	-52.94	335.36	4.33	-48.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010894742	0	35	-1.0	-48.62	330.54	6.78	-41.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010894743	0	35	-1.0	-44.87	312.97	4.06	-40.81
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010894744	0	40	-1.0	-57.34	335.92	6.80	-50.54
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894745	0	48	-1.0	-49.62	372.00	7.14	-42.48
N#CCC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894746	0	39	-1.0	-57.29	338.92	6.89	-50.40
COC1=NC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010894747	0	35	-1.0	-46.59	316.63	2.19	-44.40
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010894748	0	41	-1.0	-48.45	352.44	6.52	-41.93
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894749	0	41	-1.0	-51.15	367.22	6.63	-44.52
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010894750	0	35	-1.0	-51.32	313.41	6.23	-45.09
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010894751	0	35	-1.0	-47.22	308.81	6.06	-41.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010894752	0	38	-1.0	-51.68	321.48	5.96	-45.72
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)=N1	REAL300010894753	0	41	-1.0	-51.65	359.64	6.44	-45.21
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1F	REAL300010894754	0	38	-1.0	-48.95	345.52	6.05	-42.90
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894755	0	41	-1.0	-53.95	350.79	6.20	-47.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894756	0	39	-1.0	-48.54	324.75	5.18	-43.36
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894757	0	38	-1.0	-49.29	329.54	6.86	-42.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCC2CCOCC2)C1	REAL300010894758	0	45	-1.0	-49.86	352.13	5.02	-44.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010894759	0	47	-1.0	-48.78	387.98	2.80	-45.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010894760	0	40	-1.0	-51.31	316.64	6.14	-45.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010894761	0	39	-1.0	-57.02	338.45	2.87	-54.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010894762	0	32	-1.0	-49.06	295.94	5.53	-43.53
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)SC(Br)=C1	REAL300010894763	0	32	-1.0	-47.01	301.83	5.27	-41.74
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010894764	0	41	-1.0	-50.51	330.67	5.32	-45.19
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894765	0	42	-1.0	-57.06	337.44	3.62	-53.44
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010894766	0	38	-1.0	-50.18	325.12	6.53	-43.65
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010894767	0	38	-1.0	-51.33	324.19	6.53	-44.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010894768	0	38	-1.0	-50.63	331.18	6.86	-43.77
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894769	0	36	-1.0	-44.76	322.77	5.49	-39.27
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300010894770	0	47	-1.0	-53.69	371.71	3.90	-49.79
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)S2)C1	REAL300010894771	0	43	-1.0	-52.07	364.65	5.52	-46.55
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010894772	0	39	-1.0	-50.01	344.80	7.48	-42.53
COC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894773	0	41	-1.0	-48.27	323.91	3.15	-45.12
COC(CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)C1CCOC1	REAL300010894774	0	43	-1.0	-53.75	340.12	2.87	-50.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010894775	0	35	-1.0	-49.10	320.19	6.34	-42.76
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010894776	0	35	-1.0	-49.38	316.99	6.21	-43.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010894777	0	32	-1.0	-46.56	310.97	6.11	-40.45
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894778	0	39	-1.0	-62.11	328.87	2.42	-59.69
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894779	0	57	-1.0	-48.12	453.74	9.89	-38.23
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894780	0	47	-1.0	-52.04	383.24	7.30	-44.74
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010894781	0	32	-1.0	-48.89	300.35	5.63	-43.26
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894782	0	38	-1.0	-54.21	332.66	5.66	-48.55
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010894783	0	46	-1.0	-49.72	381.61	8.03	-41.69
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010894784	0	46	-1.0	-54.03	390.82	8.32	-45.71
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COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1F	REAL300010894794	0	38	-1.0	-49.15	335.19	5.61	-43.54
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CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894796	0	45	-1.0	-48.22	363.42	6.63	-41.59
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CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010894800	0	51	-1.0	-49.62	404.80	8.01	-41.61
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COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)O1	REAL300010894806	0	38	-1.0	-52.36	330.81	4.34	-48.02
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CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2C1	REAL300010894808	0	43	-1.0	-59.64	356.79	5.47	-54.17
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894809	0	35	-1.0	-46.51	310.58	3.46	-43.05
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CC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894813	0	38	-1.0	-49.36	335.22	6.92	-42.44
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894814	0	39	-1.0	-52.55	341.97	5.64	-46.91
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CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1F	REAL300010894816	0	35	-1.0	-56.86	300.68	5.57	-51.29
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COC(=O)C1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)OC=C1	REAL300010894821	0	35	-1.0	-53.74	306.76	4.33	-49.41
CCC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300010894822	0	45	-1.0	-47.03	348.13	6.05	-40.98
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COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894824	0	40	-1.0	-53.07	343.84	5.96	-47.11
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=N1	REAL300010894825	0	34	-1.0	-57.01	301.73	3.86	-53.15
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CC1=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2NC1=O	REAL300010894830	0	41	-1.0	-52.08	344.45	4.71	-47.37
CN1N=NC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300010894831	0	37	-1.0	-57.07	317.23	3.42	-53.65
CC1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010894832	0	41	-1.0	-49.64	357.33	6.45	-43.19
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C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894837	0	49	0.0	-74.54	375.21	4.21	-70.33
CN1CCN(CCCS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300010894837	1	48	-1.0	-51.68	371.09	1.71	-49.97
CN1N=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1Br	REAL300010894838	0	32	-1.0	-46.19	287.13	2.74	-43.45
CN1N=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1I	REAL300010894839	0	32	-1.0	-44.51	289.89	3.05	-41.46
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894840	0	36	-1.0	-57.09	307.40	6.10	-50.99
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300010894841	0	41	-1.0	-49.66	342.10	3.53	-46.13
CCCCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=N1	REAL300010894842	0	44	-1.0	-51.07	357.04	5.61	-45.46
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C(OC)C=C1F	REAL300010894843	0	42	-1.0	-47.73	354.94	5.50	-42.23
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894844	0	42	-1.0	-59.12	342.45	5.82	-53.30
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894845	0	36	-1.0	-52.58	299.36	5.07	-47.51
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010894846	0	48	-1.0	-50.09	383.31	7.21	-42.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300010894847	0	44	-1.0	-46.15	351.57	7.22	-38.93
N#CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894848	0	33	-1.0	-47.28	300.61	5.42	-41.86
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010894849	0	35	-1.0	-47.45	317.14	6.22	-41.23
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300010894851	0	36	-1.0	-56.37	302.53	4.76	-51.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010894852	0	29	-1.0	-53.42	273.84	2.92	-50.50
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010894854	0	31	-1.0	-45.68	291.93	3.87	-41.81
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COC1=NC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894857	0	35	-1.0	-46.96	315.02	2.82	-44.14
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CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1(Cl)Cl	REAL300010894862	0	35	-1.0	-48.72	315.14	5.86	-42.86
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CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010894865	0	34	-1.0	-53.04	304.19	6.08	-46.96
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CCN1CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O	REAL300010894867	0	39	-1.0	-55.65	321.12	3.73	-51.92
CCOC(=O)C1(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1	REAL300010894868	0	41	-1.0	-58.15	327.86	5.47	-52.68
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300010894869	0	43	-1.0	-55.97	358.81	1.60	-54.37
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COC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894871	0	41	-1.0	-53.92	351.49	6.38	-47.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010894872	0	35	-1.0	-50.22	324.53	5.95	-44.27
CN1N=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010894873	0	35	-1.0	-48.45	295.83	3.18	-45.27
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894874	0	42	-1.0	-49.25	331.14	5.01	-44.24
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CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010894876	0	44	-1.0	-52.06	345.81	5.39	-46.67
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CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894878	0	35	-1.0	-44.60	300.00	3.63	-40.97
CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(Br)=N1	REAL300010894879	0	32	-1.0	-49.99	293.60	2.99	-47.00
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COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300010894881	0	39	-1.0	-52.47	331.74	5.12	-47.35
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CN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010894991	0	42	-1.0	-51.50	337.53	5.10	-46.40
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CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300010894993	0	50	-1.0	-50.48	381.78	8.85	-41.63
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010894996	0	42	-1.0	-49.73	347.42	5.64	-44.09
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010894997	0	36	-1.0	-50.50	309.25	5.93	-44.57
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010894998	0	43	-1.0	-47.00	358.69	7.63	-39.37
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300010894999	0	45	-1.0	-55.67	363.18	3.36	-52.31
COC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010895000	0	41	-1.0	-58.82	338.81	6.16	-52.66
COC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C)=C1F	REAL300010897049	0	36	-1.0	-50.40	311.67	3.69	-46.71
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010897050	0	36	-1.0	-53.65	327.51	4.01	-49.64
COC(=O)C1CCCCC1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897051	0	41	-1.0	-51.84	322.37	3.83	-48.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897052	0	44	-1.0	-49.85	358.03	4.80	-45.05
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897053	0	37	-1.0	-50.80	334.79	5.64	-45.16
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897054	0	36	-1.0	-55.22	319.22	2.36	-52.86
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897055	0	37	-1.0	-50.33	322.08	5.44	-44.89
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O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010897057	0	29	-1.0	-47.37	290.94	4.57	-42.80
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010897058	0	31	-1.0	-56.12	279.91	4.97	-51.15
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897059	0	26	-1.0	-48.60	267.60	2.19	-46.41
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897059	1	25	-2.0	-103.21	264.63	1.87	-101.34
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O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010897061	0	31	-1.0	-51.30	291.39	4.14	-47.16
COC1=CC(Br)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897062	0	33	-1.0	-48.49	313.27	3.42	-45.07
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN1C	REAL300010897063	0	39	-1.0	-55.22	346.19	4.49	-50.73
O=C([O-])C1CC(NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010897064	0	42	-1.0	-58.51	374.82	4.56	-53.95
CCC1=NOC2=NC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C12	REAL300010897065	0	36	-1.0	-52.77	324.00	1.12	-51.65
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010897066	0	41	-1.0	-52.31	347.53	4.90	-47.41
O=C([O-])C1CC(NS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010897067	0	29	-1.0	-50.39	277.54	4.25	-46.14
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010897067	1	28	-2.0	-114.06	276.30	3.95	-110.11
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Cl)=N1	REAL300010897068	0	31	-1.0	-51.10	292.39	2.82	-48.28
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897069	0	34	-1.0	-50.40	311.61	3.65	-46.75
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010897070	0	36	-1.0	-51.03	319.26	5.25	-45.78
CSC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897071	0	33	-1.0	-50.14	317.91	4.89	-45.25
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897072	0	31	-1.0	-49.20	301.81	3.86	-45.34
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897073	0	39	-1.0	-58.40	345.85	0.05	-58.35
COC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN=C1Cl	REAL300010897074	0	32	-1.0	-48.94	303.33	1.47	-47.47
CCN1C(=O)OC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897075	0	38	-1.0	-55.25	338.62	4.39	-50.86
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010897076	0	44	-1.0	-53.37	376.45	3.86	-49.51
O=C([O-])C1CC(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010897077	0	28	-1.0	-50.63	283.65	3.25	-47.38
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897078	0	47	0.0	-76.70	376.14	4.55	-72.15
CC1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897079	0	35	-1.0	-53.65	313.16	4.87	-48.78
CC1=CC(Br)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897080	0	32	-1.0	-46.97	298.51	4.98	-41.99
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O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010897082	0	29	-1.0	-48.81	289.71	4.13	-44.68
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897083	0	37	-1.0	-55.36	314.51	3.98	-51.38
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1C	REAL300010897084	0	56	-1.0	-49.69	447.18	7.93	-41.76
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010897085	0	38	-1.0	-50.57	324.44	4.94	-45.63
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897086	0	43	-1.0	-51.72	375.17	4.61	-47.11
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897087	0	30	-1.0	-51.24	296.81	4.43	-46.81
O=C([O-])C1CC(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010897088	0	32	-1.0	-55.81	307.17	2.51	-53.30
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300010897089	0	44	-1.0	-53.75	359.65	4.22	-49.53
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010897090	0	35	-1.0	-48.89	330.35	6.36	-42.53
COC(=O)CCCCCS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897091	0	40	-1.0	-56.95	346.46	4.30	-52.65
CN1N=CC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CN=C21	REAL300010897092	0	34	-1.0	-52.48	307.50	2.60	-49.88
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)S1	REAL300010897093	0	31	-2.0	-101.48	328.75	3.51	-97.97
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897093	1	32	-1.0	-47.49	326.86	4.01	-43.48
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897094	0	37	-1.0	-53.06	330.34	1.68	-51.38
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010897096	0	32	-1.0	-46.97	318.28	5.02	-41.95
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897097	0	40	-1.0	-53.56	315.66	1.47	-52.09
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897098	0	34	-1.0	-49.41	322.23	5.41	-44.00
COC1=C(F)C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897099	0	35	-1.0	-49.99	326.01	4.32	-45.67
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897100	0	39	-1.0	-52.20	353.63	2.74	-49.46
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010897101	0	40	-1.0	-61.72	361.59	5.24	-56.48
COC1=CC=C(CCS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897102	0	39	-1.0	-54.05	337.42	4.22	-49.83
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300010897103	0	44	-1.0	-50.88	375.89	4.86	-46.02
O=C([O-])C1CC(NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010897104	0	32	-1.0	-53.53	302.29	2.29	-51.24
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010897105	0	40	-1.0	-54.79	343.81	4.76	-50.03
CC1=CC=NC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=CC=C12	REAL300010897106	0	37	-1.0	-54.45	312.13	5.24	-49.21
COC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(OC)C=C1Br	REAL300010897107	0	37	-1.0	-49.27	340.67	3.22	-46.05
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010897108	0	32	-1.0	-52.10	297.34	4.40	-47.70
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010897109	0	32	-1.0	-48.22	299.14	4.24	-43.98
CC1=CC(Br)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897110	0	32	-1.0	-47.82	305.18	4.77	-43.05
CSC1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897111	0	33	-1.0	-50.80	298.62	4.57	-46.23
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Br	REAL300010897112	0	36	-1.0	-52.75	336.97	3.07	-49.68
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897113	0	40	-1.0	-58.22	339.96	3.45	-54.77
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010897114	0	41	-1.0	-54.77	354.61	3.41	-51.36
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300010897115	0	35	-1.0	-50.86	343.62	1.59	-49.27
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010897116	0	37	-1.0	-51.27	332.26	4.70	-46.57
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897117	0	39	-1.0	-52.20	353.63	2.74	-49.46
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010897118	0	32	-1.0	-53.13	309.03	4.73	-48.40
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(OC)=C1	REAL300010897119	0	39	-1.0	-51.48	345.55	3.91	-47.57
COC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C)=CS1	REAL300010897120	0	35	-1.0	-54.26	318.15	4.70	-49.56
COC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1F	REAL300010897121	0	33	-1.0	-49.08	298.87	2.84	-46.24
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897122	0	40	-1.0	-51.90	352.70	3.56	-48.34
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897123	0	43	-1.0	-52.00	366.74	4.72	-47.28
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010897124	0	43	-1.0	-48.77	360.27	6.57	-42.20
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897125	0	37	-1.0	-51.85	334.80	5.66	-46.19
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010897126	0	29	-1.0	-46.07	296.51	4.32	-41.75
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010897126	1	28	-2.0	-102.83	301.85	4.28	-98.55
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897127	0	41	0.0	-76.27	341.52	5.37	-70.90
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C2O1	REAL300010897128	0	44	-1.0	-50.98	386.18	6.17	-44.81
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897129	0	41	-1.0	-52.25	353.76	5.95	-46.30
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010897130	0	29	-1.0	-48.64	297.71	4.61	-44.03
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010897130	1	28	-2.0	-101.43	295.43	4.27	-97.16
CC1=C(Cl)SC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897131	0	29	-1.0	-46.89	291.51	3.71	-43.18
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010897132	0	35	-1.0	-50.60	308.85	3.98	-46.62
COC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897133	0	33	-1.0	-51.50	297.89	2.82	-48.68
CC1=CC=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010897134	0	37	-1.0	-54.22	319.61	6.70	-47.52
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010897135	0	35	-1.0	-49.93	324.14	5.25	-44.68
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897136	0	39	-1.0	-47.63	348.57	6.32	-41.31
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897137	0	32	-1.0	-46.89	304.82	4.96	-41.93
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010897138	0	34	-1.0	-52.33	303.90	3.77	-48.56
CC1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897139	0	35	-1.0	-51.85	313.70	4.89	-46.96
CC1=CC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897140	0	37	-1.0	-50.97	321.88	5.44	-45.53
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010897141	0	29	-1.0	-49.53	293.80	4.66	-44.87
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897142	0	31	-1.0	-48.21	307.05	5.63	-42.58
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897142	1	30	-2.0	-104.14	306.10	5.39	-98.75
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897143	0	39	-1.0	-47.63	348.57	6.32	-41.31
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010897144	0	28	-1.0	-47.68	280.22	2.18	-45.50
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010897145	0	29	-1.0	-48.17	298.83	4.49	-43.68
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010897146	0	40	-1.0	-52.57	359.33	3.24	-49.33
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010897147	0	28	-2.0	-107.15	281.29	3.56	-103.59
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897148	0	39	-1.0	-51.32	321.96	5.02	-46.30
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897149	0	35	-1.0	-52.78	322.00	4.11	-48.67
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897150	0	33	-1.0	-48.71	299.29	3.87	-44.84
O=C([O-])C1CC(NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010897151	0	30	-1.0	-50.42	289.98	2.27	-48.15
O=C([O-])C1CC(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010897152	0	42	-1.0	-51.58	351.96	6.75	-44.83
CC(C)(C)C1=CC(CS(=O)(=O)NC2CC(C(=O)[O-])C2)=NO1	REAL300010897153	0	40	-1.0	-52.34	345.09	4.19	-48.15
O=C([O-])C1CC(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010897154	0	46	-1.0	-49.06	357.87	9.71	-39.35
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=CC=C12	REAL300010897155	0	43	-1.0	-49.87	356.92	5.69	-44.18
COC(=O)C1=CN=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897156	0	34	-1.0	-51.06	312.43	2.35	-48.71
N#CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Br	REAL300010897157	0	30	-1.0	-50.22	303.18	4.31	-45.91
O=C([O-])C1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010897158	0	31	-1.0	-46.92	316.28	5.10	-41.82
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010897158	1	30	-2.0	-97.50	314.35	4.76	-92.74
COC1=CC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897159	0	36	-1.0	-48.98	323.31	4.14	-44.84
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897160	0	35	-1.0	-46.96	333.08	3.99	-42.97
COC1=CC(Cl)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1OC	REAL300010897161	0	37	-1.0	-49.59	334.30	3.27	-46.32
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010897162	0	33	-1.0	-51.35	308.16	3.07	-48.28
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010897163	0	32	-1.0	-49.40	307.03	4.48	-44.92
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C	REAL300010897164	0	40	-1.0	-53.90	354.06	0.52	-53.38
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C2S1	REAL300010897165	0	41	-1.0	-51.99	377.26	6.47	-45.52
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010897166	0	35	-1.0	-55.87	313.01	2.77	-53.10
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897167	0	34	-1.0	-58.68	319.92	-0.91	-59.59
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897168	0	35	-1.0	-52.38	323.16	4.18	-48.20
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897169	0	37	-1.0	-56.15	339.04	5.33	-50.82
COC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Br)=C1	REAL300010897170	0	33	-1.0	-50.41	309.19	3.49	-46.92
CC1=CC2=C(C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1)OCO2	REAL300010897171	0	35	-1.0	-49.98	303.22	3.04	-46.94
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300010897172	0	35	-1.0	-48.53	330.12	4.60	-43.93
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897173	0	35	-1.0	-53.59	313.07	4.60	-48.99
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010897174	0	29	-1.0	-47.75	292.69	4.55	-43.20
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897175	0	35	-1.0	-46.46	295.78	5.10	-41.36
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010897176	0	29	-1.0	-47.29	295.69	4.74	-42.55
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1)OCC(=O)N2	REAL300010897177	0	39	-1.0	-52.18	341.54	0.47	-51.71
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010897178	0	30	-2.0	-101.18	310.45	4.37	-96.81
O=C([O-])C1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010897178	1	31	-1.0	-46.68	304.79	4.42	-42.26
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010897179	0	31	-1.0	-46.83	301.07	4.29	-42.54
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010897179	1	30	-2.0	-97.21	306.39	4.25	-92.96
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010897180	0	29	-1.0	-45.37	289.08	4.73	-40.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010897180	1	28	-2.0	-100.35	288.38	4.61	-95.74
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010897181	0	30	-1.0	-52.76	280.40	1.96	-50.80
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010897182	0	29	-1.0	-50.85	281.00	3.85	-47.00
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1OC	REAL300010897183	0	39	-1.0	-52.85	344.75	4.12	-48.73
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010897184	0	29	-1.0	-48.13	296.45	4.70	-43.43
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010897185	0	32	-1.0	-52.81	303.17	4.67	-48.14
CC(=O)NC1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897186	0	32	-1.0	-56.37	307.49	0.97	-55.40
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897186	1	31	-2.0	-94.26	304.20	-0.15	-94.41
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010897187	0	32	-1.0	-52.78	307.73	4.78	-48.00
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897188	0	33	-1.0	-53.72	313.73	0.78	-52.94
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897189	0	38	-1.0	-53.66	328.57	5.91	-47.75
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897190	0	37	-1.0	-53.78	320.23	1.87	-51.91
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897191	0	33	-1.0	-53.50	318.29	0.89	-52.61
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=C2O1	REAL300010897192	0	40	-1.0	-51.54	333.34	4.81	-46.73
N#CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010897193	0	33	-1.0	-51.99	319.36	4.61	-47.38
COCCN(CCC#N)S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897194	0	38	-1.0	-52.72	326.13	1.79	-50.93
COC1=CC=C(Br)C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897195	0	36	-1.0	-51.28	333.16	4.04	-47.24
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897196	0	30	-1.0	-54.01	300.28	4.28	-49.73
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897197	0	30	-1.0	-50.89	301.89	4.40	-46.49
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897198	0	35	-1.0	-47.25	316.35	5.39	-41.86
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897199	0	46	-1.0	-56.03	399.47	3.14	-52.89
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010897200	0	35	-1.0	-53.60	323.72	5.05	-48.55
COCCOCCOCCS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897201	0	43	-1.0	-53.50	371.02	0.79	-52.71
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897202	0	39	-1.0	-58.12	343.25	0.87	-57.25
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010897203	0	28	-2.0	-107.84	280.74	4.09	-103.75
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010897203	1	29	-1.0	-51.04	280.86	4.16	-46.88
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2CC1	REAL300010897204	0	46	-1.0	-55.81	374.27	5.41	-50.40
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010897205	0	38	-1.0	-52.64	347.63	4.88	-47.76
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1OC	REAL300010897206	0	39	-1.0	-50.32	356.38	5.08	-45.24
CCCC1=CC=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897207	0	38	-1.0	-48.79	340.01	6.27	-42.52
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897208	0	38	-1.0	-49.35	336.26	5.96	-43.39
CNC(=O)C1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897209	0	39	-1.0	-56.93	342.77	2.48	-54.45
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897210	0	43	-1.0	-54.88	379.59	4.43	-50.45
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010897211	0	29	-1.0	-48.15	277.12	3.76	-44.39
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010897211	1	28	-2.0	-109.37	282.48	3.72	-105.65
O=C([O-])C1CC(NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010897212	0	42	-1.0	-54.55	363.44	5.00	-49.55
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010897213	0	38	-1.0	-48.03	349.52	5.22	-42.81
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010897213	1	37	-2.0	-104.54	355.20	5.18	-99.36
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010897214	0	31	-1.0	-49.76	306.63	5.19	-44.57
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010897214	1	30	-2.0	-102.83	305.92	5.07	-97.76
O=C([O-])C1CC(NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010897215	0	38	-1.0	-61.23	323.93	0.65	-60.58
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897216	0	36	-2.0	-106.55	326.23	4.71	-101.84
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1OC	REAL300010897217	0	40	-1.0	-53.86	358.04	3.26	-50.60
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(F)C=C1C	REAL300010897218	0	41	-1.0	-48.84	353.02	5.36	-43.48
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897219	0	43	-1.0	-55.88	374.71	1.66	-54.22
COCC1=CC=C(OC)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897220	0	40	-1.0	-50.96	337.64	3.07	-47.89
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897221	0	42	-1.0	-53.62	367.36	4.83	-48.79
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1C	REAL300010897222	0	41	-1.0	-51.40	355.39	5.53	-45.87
O=C([O-])C1CC(NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300010897223	0	32	-1.0	-49.30	299.09	4.84	-44.46
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897224	0	41	-1.0	-53.24	361.98	5.82	-47.42
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897225	0	35	-1.0	-48.82	339.62	6.02	-42.80
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897225	1	34	-2.0	-110.97	331.78	5.96	-105.01
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010897226	0	32	-1.0	-48.36	301.79	5.48	-42.88
CC(COC1CCCC1)CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897227	0	45	-1.0	-51.86	363.24	4.82	-47.04
CC1=C(CCS(=O)(=O)NC2CC(C(=O)[O-])C2)SC=N1	REAL300010897228	0	34	-1.0	-51.54	311.77	2.72	-48.82
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010897229	0	35	-1.0	-50.77	324.53	5.50	-45.27
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897230	0	38	-1.0	-51.24	337.00	4.81	-46.43
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010897231	0	39	-1.0	-50.31	337.37	6.88	-43.43
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897232	0	43	-1.0	-53.94	382.30	1.26	-52.68
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010897233	0	32	-1.0	-51.21	303.68	4.74	-46.47
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN1C	REAL300010897234	0	41	-1.0	-53.96	365.17	4.68	-49.28
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300010897235	0	35	-1.0	-56.77	333.22	1.36	-55.41
O=C([O-])C1CC(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010897236	0	33	-1.0	-51.96	308.67	4.27	-47.69
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010897237	0	32	-1.0	-50.84	297.32	4.40	-46.44
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897238	0	31	-1.0	-48.38	289.99	2.91	-45.47
CC1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(Br)N1C	REAL300010897239	0	32	-1.0	-52.65	303.44	2.93	-49.72
CC1=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(Br)N1C	REAL300010897239	1	31	-2.0	-114.88	299.29	2.66	-112.22
O=C([O-])C1CC(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010897240	0	30	-1.0	-49.24	285.85	2.36	-46.88
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897241	0	42	-1.0	-55.45	357.13	4.33	-51.12
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010897242	0	32	-2.0	-92.06	299.26	3.12	-88.94
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010897242	1	33	-1.0	-49.63	302.74	2.27	-47.36
CCOC(=O)CC1(S(=O)(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300010897243	0	38	-1.0	-54.40	315.93	4.47	-49.93
O=C([O-])C1CC(NS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010897244	0	46	-1.0	-58.80	407.67	3.84	-54.96
N#CC1=CC(F)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Br	REAL300010897245	0	30	-1.0	-47.28	300.83	4.14	-43.14
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C=C1Br	REAL300010897245	1	29	-2.0	-100.96	306.56	4.10	-96.86
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897246	0	40	-1.0	-53.37	352.46	2.90	-50.47
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010897247	0	44	-1.0	-51.44	375.63	6.25	-45.19
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897248	0	41	-1.0	-56.30	366.82	2.68	-53.62
COCCOC1=C(Cl)C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897249	0	40	-1.0	-49.54	384.11	4.20	-45.34
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C1	REAL300010897250	0	34	-1.0	-53.61	309.09	0.62	-52.99
COC(=O)C1(CS(=O)(=O)NC2CC(C(=O)[O-])C2)CCCC1	REAL300010897251	0	41	-1.0	-55.88	336.72	4.55	-51.33
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C1	REAL300010897252	0	28	-1.0	-47.12	294.47	2.65	-44.47
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897253	0	36	-1.0	-48.45	334.28	3.73	-44.72
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010897254	0	35	-1.0	-48.62	317.14	4.94	-43.68
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300010897255	0	40	-1.0	-48.63	368.56	6.83	-41.80
COC(=O)CC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897256	0	38	-1.0	-53.41	340.12	4.90	-48.51
O=C([O-])C1CC(NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300010897257	0	31	-1.0	-52.70	286.37	3.37	-49.33
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300010897258	0	35	-1.0	-50.24	324.62	5.40	-44.84
COC(=O)C1(CS(=O)(=O)NC2CC(C(=O)[O-])C2)CCC1	REAL300010897259	0	38	-1.0	-53.98	321.88	3.91	-50.07
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300010897260	0	29	-1.0	-47.39	295.10	3.68	-43.71
N#CC1=CC(F)=CC=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897261	0	33	-1.0	-52.54	311.76	4.47	-48.07
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1I	REAL300010897262	0	32	-1.0	-49.69	308.06	5.06	-44.63
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897263	0	42	-1.0	-52.33	372.33	3.86	-48.47
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897264	0	45	-1.0	-52.09	394.19	4.79	-47.30
COC(=O)C1(CS(=O)(=O)NC2CC(C(=O)[O-])C2)CCCCC1	REAL300010897265	0	44	-1.0	-56.41	349.16	4.92	-51.49
COC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN=C1C	REAL300010897266	0	37	-1.0	-49.18	328.71	2.83	-46.35
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010897267	0	33	-1.0	-50.91	306.21	3.05	-47.86
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897268	0	38	-1.0	-49.61	355.85	5.58	-44.03
O=C([O-])C1CC(NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010897269	0	45	-1.0	-59.17	395.75	5.32	-53.85
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010897270	0	31	-1.0	-49.88	311.28	3.31	-46.57
O=C([O-])C1CC(NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010897271	0	42	-1.0	-51.71	320.09	5.44	-46.27
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010897272	0	38	-1.0	-51.58	327.31	5.09	-46.49
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010897273	0	30	-1.0	-52.19	290.00	2.83	-49.36
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010897274	0	35	-1.0	-52.27	318.48	5.07	-47.20
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010897275	0	32	-1.0	-53.53	300.61	2.37	-51.16
CN1C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010897275	1	31	-2.0	-107.93	298.89	1.99	-105.94
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897276	0	31	-1.0	-48.41	302.64	5.53	-42.88
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010897276	1	30	-2.0	-104.04	301.68	5.28	-98.76
COC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(F)C=C1C	REAL300010897277	0	38	-1.0	-49.05	331.24	4.43	-44.62
CC1=CC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010897278	0	37	-1.0	-50.82	339.63	4.87	-45.95
O=C([O-])C1CC(NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010897279	0	38	-1.0	-49.74	314.82	4.67	-45.07
O=C([O-])C1CC(NS(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010897280	0	39	-1.0	-51.21	341.82	4.25	-46.96
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300010897281	0	56	-1.0	-47.53	420.79	9.25	-38.28
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010897282	0	34	-1.0	-51.25	308.74	5.13	-46.12
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897283	0	41	-1.0	-53.50	362.97	5.79	-47.71
COC(=O)C1=NC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897284	0	34	-1.0	-54.53	302.55	3.18	-51.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897285	0	36	-1.0	-48.77	331.03	3.80	-44.97
COC1=CC=C2C=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)CCC2=C1	REAL300010897286	0	41	-1.0	-50.13	347.09	5.16	-44.97
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010897287	0	37	-1.0	-49.47	323.68	4.44	-45.03
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010897288	0	32	-1.0	-49.58	298.71	3.94	-45.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010897288	1	31	-2.0	-107.30	296.74	3.61	-103.69
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010897289	0	32	-1.0	-49.19	313.82	5.55	-43.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010897289	1	31	-2.0	-112.49	311.86	5.20	-107.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897290	0	43	-1.0	-52.99	380.65	1.53	-51.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897290	1	42	-2.0	-100.13	373.64	1.73	-98.40
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010897291	0	32	-1.0	-53.08	313.45	4.83	-48.25
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897292	0	38	-1.0	-63.08	347.13	1.68	-61.40
CC1=CC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2C=C1	REAL300010897293	0	38	-1.0	-50.19	330.45	6.41	-43.78
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897294	0	38	-1.0	-50.12	346.49	5.40	-44.72
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010897295	0	44	-1.0	-57.63	384.76	4.02	-53.61
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897296	0	42	-1.0	-54.42	359.14	3.82	-50.60
O=C([O-])C1CC(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010897297	0	32	-1.0	-51.69	305.85	4.65	-47.04
O=C([O-])C1CC(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010897298	0	35	-1.0	-51.68	305.29	5.49	-46.19
CCC1=CC(CC)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(CC)=C1	REAL300010897299	0	47	-1.0	-48.04	362.78	8.11	-39.93
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C12	REAL300010897300	0	48	-1.0	-52.60	404.25	4.18	-48.42
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010897301	0	36	-1.0	-54.48	319.14	3.22	-51.26
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010897302	0	31	-1.0	-51.41	310.84	3.34	-48.07
COC1=CC(OC)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897303	0	37	-1.0	-50.56	336.31	3.12	-47.44
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010897304	0	37	-1.0	-52.52	333.90	1.98	-50.54
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897305	0	34	-1.0	-57.07	316.95	-1.62	-58.69
CC(C)(CCS(=O)(=O)NC1CC(C(=O)[O-])C1)S(C)(=O)=O	REAL300010897306	0	40	-1.0	-59.87	335.78	0.60	-59.27
COC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300010897307	0	33	-1.0	-49.14	308.23	3.27	-45.87
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)C1	REAL300010897308	0	32	-1.0	-50.39	292.10	0.74	-49.65
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897309	0	42	-1.0	-52.74	359.27	4.58	-48.16
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010897310	0	38	-1.0	-48.66	334.22	6.47	-42.19
O=C([O-])C1CC(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010897311	0	33	-1.0	-49.37	306.97	3.58	-45.79
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010897312	0	33	-1.0	-48.00	309.05	4.13	-43.87
COC(=O)CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897313	0	38	-1.0	-53.84	345.56	4.96	-48.88
COC(CC1=CC=CC=C1)CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897314	0	42	-1.0	-55.71	354.08	5.34	-50.37
COC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897315	0	33	-1.0	-49.99	297.23	3.31	-46.68
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010897316	0	32	-1.0	-49.12	321.76	5.23	-43.89
O=C([O-])C1CC(NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010897317	0	32	-1.0	-49.09	320.41	5.24	-43.85
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010897318	0	32	-1.0	-49.40	302.29	2.52	-46.88
CCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897319	0	37	-1.0	-53.47	325.10	5.27	-48.20
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897320	0	45	-1.0	-49.69	358.74	5.67	-44.02
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C21	REAL300010897321	0	36	-1.0	-52.13	338.10	5.79	-46.34
N#CCC1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897322	0	36	-1.0	-56.53	329.22	5.35	-51.18
COC1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897323	0	32	-1.0	-48.32	306.42	0.70	-47.62
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897324	0	38	-1.0	-51.95	345.03	5.11	-46.84
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897325	0	38	-1.0	-49.93	356.31	5.15	-44.78
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010897326	0	32	-1.0	-50.36	303.03	4.72	-45.64
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Cl	REAL300010897327	0	32	-1.0	-48.53	298.17	4.52	-44.01
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010897328	0	35	-1.0	-55.94	311.24	4.45	-51.49
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2)=N1	REAL300010897329	0	38	-1.0	-50.55	349.39	4.94	-45.61
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1F	REAL300010897330	0	35	-1.0	-52.51	330.04	4.37	-48.14
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897330	1	34	-2.0	-113.76	335.71	4.32	-109.44
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897331	0	38	-1.0	-51.21	335.42	4.52	-46.69
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897332	0	35	-1.0	-50.42	319.40	5.35	-45.07
O=C([O-])C1CC(NS(=O)(=O)CCCC2CCOCC2)C1	REAL300010897333	0	42	-1.0	-52.49	341.33	3.50	-48.99
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010897334	0	44	-1.0	-53.25	377.39	1.21	-52.04
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010897335	0	37	-1.0	-51.35	314.78	4.66	-46.69
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010897336	0	36	-1.0	-55.92	328.26	1.32	-54.60
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010897337	0	29	-1.0	-48.63	285.30	3.99	-44.64
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)SC(Br)=C1	REAL300010897338	0	29	-1.0	-46.48	291.92	4.04	-42.44
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010897339	0	38	-1.0	-52.24	315.99	3.82	-48.42
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897340	0	39	-1.0	-54.16	323.59	2.01	-52.15
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010897341	0	35	-1.0	-53.53	314.32	4.99	-48.54
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010897342	0	35	-1.0	-51.30	314.05	5.00	-46.30
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010897343	0	35	-1.0	-50.42	321.10	5.33	-45.09
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897344	0	33	-1.0	-47.90	317.80	3.92	-43.98
COC1=CC2=C(C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1)C(=O)NCCC2	REAL300010897345	0	44	-1.0	-57.81	366.91	2.35	-55.46
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)S2)C1	REAL300010897346	0	40	-1.0	-53.19	353.78	4.00	-49.19
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010897347	0	36	-1.0	-50.21	332.65	5.94	-44.27
COC(CS(=O)(=O)NC1CC(C(=O)[O-])C1)C1CCOC1	REAL300010897348	0	40	-1.0	-51.55	327.21	0.99	-50.56
O=C([O-])C1CC(NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010897349	0	32	-1.0	-49.42	310.08	4.80	-44.62
NC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(F)C=C1Br	REAL300010897350	0	33	-1.0	-50.39	311.06	0.65	-49.74
NC(=O)C1=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(F)C=C1Br	REAL300010897350	1	32	-2.0	-104.40	316.83	0.61	-103.79
O=C([O-])C1CC(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010897351	0	32	-1.0	-49.80	306.85	4.68	-45.12
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010897352	0	29	-1.0	-46.50	300.51	4.63	-41.87
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897353	0	36	-1.0	-56.13	318.40	0.93	-55.20
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897354	0	54	-1.0	-48.80	443.49	8.39	-40.41
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897355	0	44	-1.0	-52.29	373.02	5.81	-46.48
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897356	0	39	-1.0	-48.34	346.06	5.64	-42.70
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010897357	0	29	-1.0	-48.53	289.71	4.09	-44.44
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897358	0	35	-1.0	-52.78	322.00	4.11	-48.67
COC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010897359	0	43	-1.0	-50.60	371.34	6.53	-44.07
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010897360	0	43	-1.0	-52.46	380.17	6.78	-45.68
O=C([O-])C1CC(NS(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010897361	0	28	-1.0	-50.85	271.86	2.48	-48.37
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010897361	1	27	-2.0	-115.53	273.08	1.94	-113.59
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3CC(C(=O)[O-])C3)=C2)=N1	REAL300010897362	0	41	-1.0	-52.21	355.79	3.39	-48.82
COC(CS(=O)(=O)NC1CC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010897363	0	39	-1.0	-53.22	345.83	4.14	-49.08
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)C1	REAL300010897364	0	41	-1.0	-52.99	347.22	4.91	-48.08
COC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)N(C)N=C1	REAL300010897365	0	35	-1.0	-50.93	307.55	2.39	-48.54
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Cl	REAL300010897366	0	37	-1.0	-50.91	343.70	2.26	-48.65
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=CC=C12	REAL300010897367	0	41	-1.0	-51.30	353.57	6.34	-44.96
COC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C	REAL300010897368	0	40	-1.0	-53.77	348.41	2.61	-51.16
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1F	REAL300010897369	0	35	-1.0	-52.60	319.71	3.93	-48.67
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897369	1	34	-2.0	-113.09	325.39	3.88	-109.21
CC(=O)N1CCC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=C(Cl)C=C21	REAL300010897370	0	40	-1.0	-58.42	356.59	5.17	-53.25
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897371	0	42	-1.0	-49.75	353.20	5.13	-44.62
COC(CS(=O)(=O)NC1CC(C(=O)[O-])C1)C1CCCC1	REAL300010897372	0	42	-1.0	-51.42	337.42	4.24	-47.18
COC(CS(=O)(=O)NC1CC(C(=O)[O-])C1)C1CCCCC1	REAL300010897373	0	45	-1.0	-50.00	354.23	4.51	-45.49
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010897374	0	32	-1.0	-48.43	302.28	2.99	-45.44
CCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300010897375	0	48	-1.0	-49.48	394.16	6.47	-43.01
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010897376	0	32	-1.0	-56.74	311.99	3.29	-53.45
COC1=CC(F)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897377	0	33	-1.0	-48.87	297.22	3.32	-45.55
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010897378	0	37	-1.0	-51.54	325.63	5.93	-45.61
O=C([O-])C1CC(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010897379	0	42	-1.0	-49.03	363.48	5.81	-43.22
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)O1	REAL300010897380	0	35	-1.0	-50.22	320.66	2.83	-47.39
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)O1	REAL300010897380	1	34	-2.0	-104.33	317.70	2.52	-101.81
CCC1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN1CC1CC1	REAL300010897381	0	42	-1.0	-54.83	361.92	5.40	-49.43
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897382	0	35	-1.0	-50.86	327.83	5.59	-45.27
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2C1	REAL300010897383	0	40	-1.0	-56.16	346.60	3.94	-52.22
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897384	0	32	-1.0	-48.21	303.12	2.15	-46.06
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010897385	0	40	-1.0	-49.80	363.78	7.57	-42.23
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897386	0	32	-1.0	-46.95	304.84	4.95	-42.00
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010897387	0	39	-1.0	-52.32	328.60	6.89	-45.43
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010897388	0	49	-1.0	-50.39	416.22	8.26	-42.13
CC1=CC=C(Br)C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897389	0	35	-1.0	-50.20	325.09	5.41	-44.79
COC1=CC=CC(Br)=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897390	0	36	-1.0	-52.14	331.24	4.12	-48.02
O=C([O-])C1CC(NS(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010897391	0	35	-1.0	-53.87	318.54	4.97	-48.90
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1F	REAL300010897392	0	32	-1.0	-51.97	287.00	3.95	-48.02
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010897393	0	28	-1.0	-51.53	284.87	2.13	-49.40
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010897393	1	27	-2.0	-107.19	282.53	1.82	-105.37
CC(C)OC1=CN=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897394	0	38	-1.0	-48.62	326.93	2.55	-46.07
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010897395	0	35	-1.0	-55.29	308.66	1.72	-53.57
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(NC(=O)C(F)(F)F)=C2)C1	REAL300010897396	0	36	-1.0	-49.91	338.69	2.76	-47.15
COC(=O)C1=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)OC=C1	REAL300010897397	0	31	-2.0	-116.76	293.95	2.55	-114.21
COC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)OC=C1	REAL300010897397	1	32	-1.0	-53.75	295.52	2.88	-50.87
CCC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(C)C=C1OC	REAL300010897398	0	42	-1.0	-48.75	349.01	5.07	-43.68
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010897399	0	35	-1.0	-47.83	334.35	5.34	-42.49
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897400	0	37	-1.0	-53.29	331.07	4.46	-48.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=N1	REAL300010897401	0	30	-2.0	-122.56	288.92	2.06	-120.50
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=N1	REAL300010897401	1	31	-1.0	-56.41	290.72	2.39	-54.02
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897402	0	32	-1.0	-46.65	313.95	5.36	-41.29
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010897403	0	38	-1.0	-50.09	312.84	6.52	-43.57
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010897404	0	36	-1.0	-49.12	333.47	3.37	-45.75
CC1=CC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C2NC1=O	REAL300010897405	0	38	-1.0	-52.99	334.21	3.21	-49.78
CN1N=NC2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897406	0	34	-1.0	-53.16	307.02	1.92	-51.24
CC1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010897407	0	38	-1.0	-51.56	342.78	4.78	-46.78
O=C([O-])C1CC(NS(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010897408	0	29	-1.0	-52.80	277.22	1.03	-51.77
O=C([O-])C1CC([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010897408	1	28	-2.0	-108.03	277.58	0.73	-107.30
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010897409	0	34	-1.0	-49.02	307.29	4.55	-44.47
O=C([O-])C1CC(NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010897410	0	35	-1.0	-49.76	314.83	4.55	-45.21
C[NH+]1CCN(CCCS(=O)(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300010897411	0	46	0.0	-74.78	365.01	2.68	-72.10
CN1CCN(CCCS(=O)(=O)NC2CC(C(=O)[O-])C2)CC1	REAL300010897411	1	45	-1.0	-50.82	362.10	0.31	-50.51
CN1N=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1Br	REAL300010897412	0	29	-1.0	-48.67	286.10	1.62	-47.05
CN1N=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1I	REAL300010897413	0	29	-1.0	-48.05	291.60	2.05	-46.00
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897414	0	33	-1.0	-48.75	301.00	4.75	-44.00
CC(C)OC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897415	0	38	-1.0	-48.94	332.32	2.02	-46.92
CCCCN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C)=N1	REAL300010897416	0	41	-1.0	-50.96	337.40	3.75	-47.21
COC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(OC)C=C1F	REAL300010897417	0	39	-1.0	-50.61	341.82	4.03	-46.58
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897418	0	39	-1.0	-53.59	335.93	4.28	-49.31
COC1=C(F)C=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897419	0	33	-1.0	-50.51	295.64	3.48	-47.03
CCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300010897420	0	45	-1.0	-49.73	372.66	5.67	-44.06
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897421	0	41	-1.0	-49.64	340.93	5.68	-43.96
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010897422	0	32	-1.0	-49.45	306.85	4.68	-44.77
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010897423	0	48	-1.0	-50.51	388.83	7.99	-42.52
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897424	0	34	-1.0	-51.67	326.21	3.65	-48.02
O=C([O-])C1CC(NS(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010897425	0	26	-1.0	-51.91	262.17	1.49	-50.42
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010897425	1	25	-2.0	-115.34	261.02	1.08	-114.26
O=C([O-])C1CC(NS(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010897426	0	37	-1.0	-55.92	331.82	4.31	-51.61
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010897427	0	28	-1.0	-47.49	287.53	2.70	-44.79
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010897427	1	27	-2.0	-102.74	285.60	2.35	-100.39
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010897428	0	28	-1.0	-51.59	280.27	2.05	-49.54
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010897428	1	27	-2.0	-107.04	277.93	1.75	-105.29
COC1=NC=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897429	0	32	-1.0	-47.47	301.68	1.33	-46.14
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010897430	0	34	-1.0	-51.42	317.97	4.35	-47.07
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010897431	0	31	-1.0	-48.67	302.91	3.34	-45.33
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010897432	0	39	-1.0	-51.60	344.48	4.17	-47.43
CC1(CS(=O)(=O)NC2CC(C(=O)[O-])C2)CC1(Cl)Cl	REAL300010897433	0	32	-1.0	-48.98	304.27	4.31	-44.67
O=C([O-])C1CC(NS(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010897434	0	28	-1.0	-53.38	290.91	1.78	-51.60
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)C1	REAL300010897435	0	31	-1.0	-50.25	316.63	3.57	-46.68
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010897436	0	31	-1.0	-52.67	296.39	4.77	-47.90
O=C([O-])C1CC(NS(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010897437	0	37	-1.0	-56.19	315.79	2.76	-53.43
CCOC(=O)C1(S(=O)(=O)NC2CC(C(=O)[O-])C2)CCC1	REAL300010897438	0	38	-1.0	-49.90	322.29	4.28	-45.62
CS(=O)(=O)N1CCC(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C1	REAL300010897439	0	40	-1.0	-57.90	349.19	0.04	-57.86
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010897440	0	30	-1.0	-49.12	307.69	2.60	-46.52
COC(=O)C1=CC=C(CS(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897441	0	38	-1.0	-53.79	341.11	4.86	-48.93
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010897442	0	31	-2.0	-112.92	311.41	4.12	-108.80
O=C([O-])C1CC(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010897442	1	32	-1.0	-50.50	310.81	4.58	-45.92
CN1N=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010897443	0	32	-1.0	-48.70	294.98	2.17	-46.53
CN1N=CC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1C(F)(F)F	REAL300010897443	1	31	-2.0	-104.78	293.70	1.79	-102.99
CN1N=C2CCCCC2=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897444	0	39	-1.0	-48.83	319.46	3.43	-45.40
O=C([O-])C1CC(NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010897445	0	26	-1.0	-48.91	272.31	3.02	-45.89
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010897446	0	41	-1.0	-49.42	327.18	3.40	-46.02
O=C([O-])C1CC(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010897447	0	39	-1.0	-51.17	330.69	3.79	-47.38
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897448	0	32	-1.0	-47.75	293.74	2.25	-45.50
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897449	0	47	-1.0	-54.10	404.56	5.22	-48.88
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Br)=N1	REAL300010897450	0	29	-1.0	-52.29	287.71	1.67	-50.62
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010897451	0	31	-1.0	-49.67	297.96	2.52	-47.15
COC1=CC=C(F)C=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897452	0	36	-1.0	-52.13	321.55	3.61	-48.52
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010897453	0	43	-1.0	-54.34	368.61	4.61	-49.73
C=CCCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897454	0	39	-1.0	-48.62	340.36	6.25	-42.37
COC(=O)C1=CNN=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897455	0	32	-1.0	-57.87	294.13	1.07	-56.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897455	1	31	-2.0	-120.56	289.69	0.88	-119.68
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897456	0	32	-1.0	-46.56	313.95	5.36	-41.20
CC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897457	0	34	-1.0	-55.56	307.69	3.89	-51.67
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897458	0	38	-1.0	-63.79	326.82	1.48	-62.31
CCCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300010897459	0	51	-1.0	-48.75	416.11	7.30	-41.45
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010897460	0	32	-1.0	-49.98	301.91	4.38	-45.60
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)C1	REAL300010897461	0	40	-1.0	-53.81	351.67	4.18	-49.63
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010897462	0	33	-1.0	-50.72	311.86	5.14	-45.58
CCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010897463	0	51	-1.0	-48.73	407.17	7.18	-41.55
CCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1CC	REAL300010897464	0	45	-1.0	-49.71	377.25	5.94	-43.77
N#CCCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897465	0	36	-1.0	-53.97	326.90	5.42	-48.55
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897466	0	35	-1.0	-46.23	306.14	5.53	-40.70
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897467	0	43	-1.0	-53.73	363.16	3.21	-50.52
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010897468	0	32	-1.0	-50.80	318.52	5.19	-45.61
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010897469	0	32	-1.0	-51.44	309.40	4.77	-46.67
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010897470	0	39	-1.0	-55.70	344.66	5.40	-50.30
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897471	0	35	-1.0	-49.89	322.61	5.45	-44.44
CC1=CN=C(Cl)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897472	0	31	-1.0	-50.56	292.64	2.83	-47.73
COC1=CC=C(Br)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1F	REAL300010897473	0	33	-1.0	-52.06	306.93	3.53	-48.53
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1F	REAL300010897473	1	32	-2.0	-114.91	307.33	3.46	-111.45
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897474	0	39	-1.0	-51.04	337.10	5.80	-45.24
CCOC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)N(C)N=C1	REAL300010897475	0	38	-1.0	-50.78	329.41	3.32	-47.46
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010897476	0	33	-1.0	-50.21	309.30	5.08	-45.13
O=C([O-])C1CC(NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010897477	0	34	-1.0	-51.33	295.03	0.49	-50.84
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010897478	0	33	-1.0	-52.61	303.91	-0.95	-53.56
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010897479	0	41	-1.0	-56.07	368.41	5.06	-51.01
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897480	0	42	-1.0	-50.77	363.57	4.27	-46.50
O=C([O-])C1CC(NS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010897481	0	38	-1.0	-53.04	325.36	4.17	-48.87
O=C([O-])C1CC(NS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010897482	0	29	-1.0	-48.94	276.62	3.65	-45.29
COC(=O)C1=CC=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897483	0	34	-1.0	-54.47	314.26	2.24	-52.23
O=C([O-])C1CC(NS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010897484	0	35	-1.0	-51.39	314.21	5.05	-46.34
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897485	0	45	-1.0	-51.24	379.66	6.33	-44.91
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010897486	0	34	-1.0	-53.89	298.69	4.02	-49.87
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897487	0	49	-1.0	-56.43	389.52	5.98	-50.45
COC(=O)C1=CN(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897488	0	36	-1.0	-53.54	320.65	3.66	-49.88
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C21	REAL300010897489	0	43	-1.0	-52.16	358.23	3.50	-48.66
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010897490	0	44	-1.0	-59.56	373.84	6.12	-53.44
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C21	REAL300010897491	0	43	-1.0	-60.66	363.30	5.43	-55.23
O=C([O-])C1CC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010897492	0	36	-2.0	-97.81	308.00	3.20	-94.61
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2)C=C1	REAL300010897493	0	44	-1.0	-50.29	392.04	7.33	-42.96
O=C([O-])C1CC(NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010897494	0	39	-1.0	-48.30	331.90	4.08	-44.22
COC(=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897495	0	41	-1.0	-51.92	353.95	6.33	-45.59
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897496	0	42	-1.0	-53.71	367.35	4.83	-48.88
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897497	0	39	-1.0	-52.94	336.03	4.26	-48.68
CC1(C)COC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=NN2C1	REAL300010897498	0	40	-1.0	-50.37	333.06	1.59	-48.78
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010897499	0	35	-1.0	-49.80	329.36	4.39	-45.41
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010897500	0	35	-1.0	-53.33	313.41	0.65	-52.68
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010897501	0	25	-2.0	-107.74	262.33	1.83	-105.91
O=C([O-])C1CC(NS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010897501	1	26	-1.0	-48.57	263.90	2.17	-46.40
COC1=C(F)C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897502	0	33	-1.0	-48.56	309.02	3.01	-45.55
COC1=CC(F)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1F	REAL300010897503	0	33	-1.0	-48.57	296.08	2.61	-45.96
CCCCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300010897504	0	54	-1.0	-49.40	437.16	8.04	-41.36
COC1=CC(C(C)C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C	REAL300010897505	0	45	-1.0	-48.78	361.76	5.49	-43.29
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897506	0	39	-1.0	-49.81	336.88	4.86	-44.95
CCOCCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(C)C	REAL300010897507	0	52	-1.0	-51.91	428.14	5.89	-46.02
CC1CC2=CC=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=C2O1	REAL300010897508	0	37	-1.0	-50.87	311.72	4.12	-46.75
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897509	0	37	-1.0	-48.12	331.19	3.15	-44.97
N#CC1(C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2)CC1	REAL300010897510	0	37	-1.0	-52.97	331.39	5.68	-47.29
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897511	0	33	-1.0	-50.95	297.38	4.04	-46.91
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897511	1	32	-2.0	-110.01	298.34	3.89	-106.12
CC1=C(Br)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(C)S1	REAL300010897512	0	32	-1.0	-48.29	303.67	4.71	-43.58
CC1=CC(Cl)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Br)=C1	REAL300010897513	0	32	-1.0	-49.61	306.37	5.38	-44.23
COC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=N1	REAL300010897514	0	34	-1.0	-53.78	313.76	2.27	-51.51
COC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1Br	REAL300010897515	0	35	-1.0	-54.00	328.72	4.73	-49.27
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C21	REAL300010897516	0	46	-1.0	-58.05	371.80	5.51	-52.54
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010897517	0	35	-1.0	-50.96	315.23	4.09	-46.87
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C21	REAL300010897518	0	43	-1.0	-52.47	360.29	4.95	-47.52
CN1N=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897519	0	29	-1.0	-48.03	284.48	1.61	-46.42
O=C([O-])C1CC(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010897520	0	31	-1.0	-47.97	296.37	2.66	-45.31
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897521	0	34	-1.0	-58.77	302.07	3.02	-55.75
O=C([O-])C1CC(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300010897522	0	33	-1.0	-52.86	318.26	4.02	-48.84
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010897523	0	32	-1.0	-57.18	307.43	3.18	-54.00
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010897524	0	32	-1.0	-50.04	301.36	4.93	-45.11
CC1=CC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C)=C1F	REAL300010897525	0	38	-1.0	-48.15	315.24	5.70	-42.45
COC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1OC	REAL300010897526	0	37	-1.0	-51.86	319.51	3.32	-48.54
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010897527	0	38	-1.0	-57.59	331.01	0.64	-56.95
N#CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300010897528	0	30	-1.0	-50.64	303.21	4.31	-46.33
COC1=CC=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1OC	REAL300010897529	0	37	-1.0	-51.82	324.65	3.74	-48.08
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1	REAL300010897530	0	31	-2.0	-102.14	319.19	2.52	-99.62
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897530	1	32	-1.0	-49.16	321.16	2.87	-46.29
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010897531	0	26	-1.0	-46.85	282.67	3.68	-43.17
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010897532	0	42	-1.0	-51.31	349.78	4.33	-46.98
N#CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010897533	0	33	-1.0	-50.97	311.73	5.31	-45.66
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897534	0	31	-2.0	-96.89	288.82	3.80	-93.09
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010897535	0	33	-1.0	-50.94	302.40	3.05	-47.89
O=C([O-])C1CC(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300010897536	0	33	-1.0	-53.70	317.63	4.05	-49.65
O=C([O-])C1CC(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010897537	0	32	-1.0	-51.64	290.80	2.66	-48.98
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010897537	1	31	-2.0	-117.50	290.00	2.36	-115.14
CN1N=NC2=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=CC=C21	REAL300010897538	0	34	-1.0	-59.96	300.43	1.99	-57.97
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010897539	0	29	-2.0	-91.80	293.27	3.16	-88.64
CC1=CC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1Br	REAL300010897540	0	35	-1.0	-47.82	317.24	5.48	-42.34
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010897541	0	35	-1.0	-48.83	330.67	4.63	-44.20
O=C([O-])C1CC(NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010897542	0	32	-1.0	-50.70	296.26	3.86	-46.84
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010897543	0	39	-1.0	-51.51	335.00	3.85	-47.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897544	0	47	-1.0	-48.30	372.25	7.35	-40.95
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010897545	0	35	-1.0	-48.35	334.37	5.34	-43.01
O=C([O-])C1CC(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010897546	0	39	-1.0	-52.59	337.19	4.08	-48.51
O=C([O-])C1CC(NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010897547	0	33	-1.0	-50.12	299.96	4.65	-45.47
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010897548	0	40	-1.0	-48.92	352.09	6.33	-42.59
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897549	0	42	-1.0	-55.52	352.95	1.87	-53.65
COC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010897550	0	38	-1.0	-58.53	326.99	4.81	-53.72
COC(=O)C1=NN(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897551	0	35	-1.0	-51.55	318.80	1.83	-49.72
O=C([O-])C1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010897552	0	33	-1.0	-48.92	318.92	4.84	-44.08
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2C=C1	REAL300010897553	0	41	-1.0	-51.88	363.83	6.38	-45.50
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)C1	REAL300010897554	0	38	-1.0	-51.55	352.19	6.06	-45.49
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897555	0	38	-1.0	-48.07	308.65	3.45	-44.62
CC(C)(C)N1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897556	0	38	-1.0	-52.00	327.71	3.16	-48.84
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010897557	0	34	-1.0	-49.46	314.07	3.28	-46.18
O=C([O-])C1CC(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010897558	0	32	-1.0	-47.18	307.95	4.57	-42.61
O=C([O-])C1CC(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010897559	0	29	-1.0	-48.90	281.70	3.94	-44.96
O=C([O-])C1CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010897560	0	29	-1.0	-47.52	294.91	3.57	-43.95
CC(=O)NCC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897561	0	39	-1.0	-53.66	345.05	2.49	-51.17
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897562	0	26	-1.0	-48.60	267.60	2.19	-46.41
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010897562	1	25	-2.0	-103.21	264.63	1.87	-101.34
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010897563	0	32	-1.0	-48.85	314.61	4.84	-44.01
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010897564	0	32	-1.0	-52.80	280.51	4.87	-47.93
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897565	0	40	-1.0	-54.39	347.75	5.50	-48.89
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010897566	0	40	-1.0	-48.93	331.84	6.54	-42.39
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897567	0	39	-1.0	-55.61	342.71	5.17	-50.44
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010897568	0	35	-1.0	-48.72	325.55	4.50	-44.22
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897569	0	34	-1.0	-51.07	321.36	3.93	-47.14
O=C([O-])C1CC(NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010897570	0	36	-1.0	-54.20	316.28	1.82	-52.38
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897571	0	39	-1.0	-49.01	359.35	4.24	-44.77
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010897572	0	29	-1.0	-48.37	297.32	4.67	-43.70
O=C([O-])C1CC(NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010897573	0	29	-1.0	-49.71	279.57	3.79	-45.92
O=C([O-])C1CC(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010897574	0	32	-1.0	-48.62	291.46	5.03	-43.59
COC(=O)C1=C(C)SC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897575	0	35	-1.0	-49.05	327.49	3.80	-45.25
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010897576	0	36	-1.0	-49.74	309.63	5.36	-44.38
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)C1	REAL300010897577	0	31	-1.0	-47.44	316.90	3.71	-43.73
O=C([O-])C1CC(NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010897578	0	39	-1.0	-47.79	324.14	3.98	-43.81
CCC(C)N1N=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897579	0	38	-1.0	-48.27	322.47	3.39	-44.88
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897580	0	38	-1.0	-55.95	334.37	0.98	-54.97
CS(=O)(=O)C1=CSC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897581	0	32	-1.0	-54.37	316.47	-0.02	-54.39
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897582	0	38	-1.0	-55.95	334.37	0.98	-54.97
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010897583	0	32	-1.0	-51.02	284.86	4.94	-46.08
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897584	0	41	-1.0	-54.34	352.26	7.25	-47.09
CN(C1CCCCCC1)S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897585	0	43	-1.0	-47.79	332.11	4.41	-43.38
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010897586	0	29	-1.0	-48.98	287.08	2.68	-46.30
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010897586	1	28	-2.0	-101.41	284.10	2.36	-99.05
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897587	0	33	-1.0	-48.36	303.50	3.37	-44.99
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010897588	0	43	-1.0	-51.51	358.38	2.53	-48.98
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897589	0	35	-1.0	-49.80	316.38	5.00	-44.80
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010897590	0	33	-1.0	-50.63	302.42	3.05	-47.58
O=C([O-])C1CC(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010897591	0	44	-1.0	-49.62	355.71	6.02	-43.60
CC1=CC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010897592	0	40	-1.0	-56.60	331.31	5.56	-51.04
O=C([O-])C1CC(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010897593	0	37	-1.0	-48.63	317.98	3.61	-45.02
CCOCC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897594	0	39	-1.0	-49.80	340.09	4.15	-45.65
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897595	0	38	-1.0	-51.85	339.71	5.61	-46.24
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010897596	0	32	-1.0	-49.38	321.80	5.50	-43.88
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897597	0	39	-1.0	-50.65	342.22	4.68	-45.97
O=C([O-])C1CC(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010897598	0	42	-1.0	-51.00	349.61	4.39	-46.61
O=C([O-])C1CC(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010897599	0	32	-1.0	-48.95	317.29	5.68	-43.27
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010897599	1	31	-2.0	-111.66	315.33	5.34	-106.32
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010897600	0	40	-1.0	-49.13	351.83	6.31	-42.82
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897601	0	41	-1.0	-52.65	351.59	6.22	-46.43
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300010897602	0	35	-1.0	-48.53	320.41	5.17	-43.36
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010897603	0	34	-1.0	-49.94	321.13	4.90	-45.04
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010897603	1	33	-2.0	-108.49	321.11	4.75	-103.74
O=C([O-])C1CC(NS(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010897604	0	28	-1.0	-53.83	286.67	1.69	-52.14
O=C([O-])C1CC(NS(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010897605	0	33	-1.0	-53.46	302.17	2.95	-50.51
O=C([O-])C1CC(NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010897606	0	35	-1.0	-47.98	334.07	5.01	-42.97
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010897606	1	34	-2.0	-105.13	332.97	4.73	-100.40
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010897607	0	28	-1.0	-47.67	280.11	2.14	-45.53
N#CC1(OCCS(=O)(=O)NC2CC(C(=O)[O-])C2)CCOCC1	REAL300010897608	0	41	-1.0	-52.79	347.31	1.19	-51.60
CCN1N=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1Cl	REAL300010897609	0	32	-1.0	-49.43	304.70	2.38	-47.05
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010897610	0	33	-1.0	-50.13	313.32	5.17	-44.96
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1CC(C(=O)[O-])C1)=C2	REAL300010897611	0	35	-1.0	-49.52	347.62	4.71	-44.81
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010897612	0	28	-2.0	-106.24	288.18	4.13	-102.11
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897613	0	31	-1.0	-51.40	295.99	2.45	-48.95
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897613	1	30	-2.0	-105.59	301.57	2.42	-103.17
O=C([O-])C1CC(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010897614	0	34	-1.0	-55.00	319.62	4.65	-50.35
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010897615	0	34	-1.0	-54.78	315.65	4.49	-50.29
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897616	0	31	-1.0	-51.40	295.99	2.45	-48.95
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010897616	1	30	-2.0	-105.59	301.57	2.42	-103.17
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010897617	0	32	-1.0	-49.38	321.80	5.50	-43.88
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897618	0	38	-1.0	-51.30	321.20	6.37	-44.93
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897619	0	33	-1.0	-53.37	312.38	4.47	-48.90
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897619	1	32	-2.0	-113.80	310.22	4.22	-109.58
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010897620	0	36	-1.0	-51.24	321.08	3.84	-47.40
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897621	0	43	-1.0	-52.19	367.31	4.95	-47.24
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010897622	0	29	-1.0	-49.44	282.51	3.80	-45.64
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010897622	1	28	-2.0	-103.27	287.77	3.75	-99.52
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)O1	REAL300010897623	0	35	-1.0	-59.66	326.18	-0.22	-59.88
CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010897624	0	39	-1.0	-54.00	336.02	4.92	-49.08
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010897625	0	35	-1.0	-52.92	334.65	0.86	-52.06
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010897626	0	33	-1.0	-50.67	316.42	5.23	-45.44
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010897627	0	33	-1.0	-50.52	316.41	5.24	-45.28
O=C([O-])C1CC(NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010897628	0	34	-1.0	-57.89	306.40	-2.59	-60.48
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010897629	0	31	-1.0	-52.69	293.60	2.82	-49.87
CC1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010897630	0	38	-1.0	-52.82	337.85	2.62	-50.20
CC1=NC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010897630	1	37	-2.0	-113.94	333.15	2.38	-111.56
O=C([O-])C1CC(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010897631	0	46	-1.0	-49.29	340.22	6.35	-42.94
CS(=O)(=O)CCCCS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897632	0	37	-1.0	-62.42	333.14	0.25	-62.17
CC1(C)CCC(CS(=O)(=O)NC2CC(C(=O)[O-])C2)OC1	REAL300010897633	0	42	-1.0	-50.99	337.31	3.62	-47.37
CCOC(=O)C1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C2C=CC=CN21	REAL300010897634	0	41	-1.0	-57.60	364.94	5.20	-52.40
O=C([O-])C1CC(NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010897635	0	33	-1.0	-54.49	311.19	2.50	-51.99
COC(=O)C1=CN2C=NC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=C2C=C1	REAL300010897636	0	38	-1.0	-55.09	344.72	5.37	-49.72
O=C([O-])C1CC(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010897637	0	39	-1.0	-52.29	345.89	6.39	-45.90
O=C([O-])C1CC(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010897638	0	38	-1.0	-53.15	316.69	0.86	-52.29
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897639	0	38	-1.0	-54.84	335.47	4.38	-50.46
O=C([O-])C1CC(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010897640	0	42	-1.0	-51.90	330.17	5.41	-46.49
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010897641	0	33	-1.0	-48.36	306.34	4.80	-43.56
COC(=O)C1CCCCN1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897642	0	40	-1.0	-51.98	322.65	4.07	-47.91
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3CC(C(=O)[O-])C3)=CC=C21	REAL300010897643	0	51	-1.0	-48.76	392.73	7.64	-41.12
N#CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897644	0	32	-1.0	-55.78	308.14	4.23	-51.55
COC1=CC=C(C=C(C)S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897645	0	40	-1.0	-51.25	337.59	4.46	-46.79
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=NN1	REAL300010897646	0	35	-1.0	-50.29	322.19	1.29	-49.00
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897646	1	34	-2.0	-94.14	318.72	1.15	-92.99
CCOC(=O)C1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=N[N-]1	REAL300010897646	1	34	-2.0	-94.19	318.77	1.15	-93.04
COC1=CSC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1OC	REAL300010897647	0	34	-1.0	-49.68	316.41	2.16	-47.52
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)=C1	REAL300010897648	0	31	-2.0	-101.69	315.12	2.42	-99.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897648	1	32	-1.0	-49.31	317.09	2.77	-46.54
O=C([O-])C1CC(NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010897649	0	41	-1.0	-47.48	323.23	3.91	-43.57
CN(CCC1=CC=CC=C1)S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897650	0	40	-1.0	-51.10	340.82	5.24	-45.86
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897651	0	33	-1.0	-50.03	311.58	4.62	-45.41
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897651	1	32	-2.0	-109.52	312.54	4.47	-105.05
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300010897652	0	33	-1.0	-50.90	311.29	4.23	-46.67
COC1=CC(F)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897653	0	33	-1.0	-49.49	300.08	3.01	-46.48
COC1=CC(F)=C(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)C(F)=C1	REAL300010897653	1	32	-2.0	-111.13	296.35	2.81	-108.32
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010897654	0	33	-1.0	-51.54	308.18	3.07	-48.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897655	0	35	-1.0	-50.69	306.92	3.42	-47.27
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010897656	0	32	-1.0	-52.23	291.96	5.01	-47.22
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010897657	0	38	-1.0	-48.70	342.02	3.96	-44.74
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010897658	0	26	-1.0	-45.62	287.60	3.58	-42.04
O=C([O-])C1CC([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010897658	1	25	-2.0	-98.83	285.63	3.25	-95.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897659	0	42	-1.0	-51.98	354.60	5.82	-46.16
CC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010897660	0	46	-1.0	-51.01	380.90	5.40	-45.61
O=C([O-])C1CC(NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010897661	0	32	-1.0	-49.16	317.03	4.77	-44.39
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010897662	0	34	-1.0	-52.23	314.60	4.10	-48.13
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897663	0	37	-1.0	-53.43	316.23	3.31	-50.12
O=C([O-])C1CC(NS(=O)(=O)C2=C(I)C=CS2)C1	REAL300010897664	0	26	-1.0	-46.66	273.46	3.23	-43.43
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010897664	1	25	-2.0	-106.01	278.75	3.17	-102.84
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010897665	0	40	-1.0	-50.59	353.58	6.38	-44.21
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897666	0	35	-1.0	-53.13	297.34	5.40	-47.73
COC(=O)C1=CNN=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897667	0	32	-1.0	-57.87	294.13	1.07	-56.80
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897667	1	31	-2.0	-120.56	289.69	0.88	-119.68
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010897668	0	34	-1.0	-54.40	317.59	2.01	-52.39
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010897669	0	30	-1.0	-50.75	297.14	2.45	-48.30
CC1=CC(Cl)=NC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897670	0	31	-1.0	-47.98	289.63	2.99	-44.99
C=C(C)COC1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897671	0	40	-1.0	-50.27	346.81	5.09	-45.18
CCN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300010897672	0	39	-1.0	-51.88	341.23	4.20	-47.68
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010897673	0	33	-1.0	-53.32	300.53	2.86	-50.46
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010897674	0	35	-1.0	-48.90	325.79	6.25	-42.65
CC(=O)OC1CCN(S(=O)(=O)NC2CC(C(=O)[O-])C2)C1	REAL300010897675	0	37	-1.0	-49.21	322.39	2.66	-46.55
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010897676	0	39	-1.0	-49.48	353.63	7.35	-42.13
COC(=O)C1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C(Cl)S1	REAL300010897677	0	32	-1.0	-49.30	318.25	4.49	-44.81
CCC1=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300010897678	0	35	-1.0	-48.49	321.75	5.30	-43.19
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897679	0	42	-1.0	-48.09	346.18	4.58	-43.51
COCCC1=CC=C(OC)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897680	0	43	-1.0	-50.61	359.14	3.85	-46.76
O=C([O-])C1CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010897681	0	35	-1.0	-50.34	321.36	6.33	-44.01
CN1N=C2CCOCC2=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897682	0	37	-1.0	-49.47	310.81	1.05	-48.42
O=C([O-])C1CC(NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)C1	REAL300010897683	0	35	-1.0	-50.91	327.53	3.25	-47.66
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897684	0	43	-1.0	-53.88	372.99	4.13	-49.75
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010897685	0	44	-1.0	-50.08	365.04	3.85	-46.23
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897686	0	32	-1.0	-47.66	297.11	1.22	-46.44
COC1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C	REAL300010897687	0	35	-1.0	-49.42	310.48	0.88	-48.54
CC(C)CN1C=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=N1	REAL300010897688	0	38	-1.0	-50.99	330.56	3.58	-47.41
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897689	0	38	-1.0	-50.69	313.07	2.73	-47.96
O=C([O-])C1CC(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010897690	0	28	-1.0	-52.33	290.32	1.44	-50.89
O=C([O-])C1CC(NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010897691	0	39	-1.0	-50.98	318.52	0.82	-50.16
COCC1=CC(CS(=O)(=O)NC2CC(C(=O)[O-])C2)=NO1	REAL300010897692	0	35	-1.0	-54.81	317.56	1.34	-53.47
O=C([O-])C1CC(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010897693	0	32	-1.0	-56.74	311.99	3.29	-53.45
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010897694	0	26	-2.0	-109.05	273.26	0.97	-108.08
O=C([O-])C1CC(NS(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010897694	1	27	-1.0	-48.96	272.57	1.42	-47.54
CC(=O)NC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897695	0	33	-1.0	-55.96	310.65	1.52	-54.44
CC1=C(C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C(C)S1	REAL300010897696	0	35	-1.0	-47.84	303.41	4.76	-43.08
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010897697	0	26	-1.0	-46.85	282.67	3.68	-43.17
COC1=CC=C(Br)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897698	0	33	-1.0	-48.61	303.86	3.98	-44.63
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010897699	0	31	-1.0	-50.82	298.15	2.56	-48.26
COC1=NC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1Cl	REAL300010897700	0	32	-1.0	-51.00	303.05	0.75	-50.25
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897701	0	38	-1.0	-55.39	343.47	2.56	-52.83
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)S1	REAL300010897701	1	37	-2.0	-94.89	341.15	1.41	-93.48
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897702	0	36	-1.0	-58.31	323.87	1.33	-56.98
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010897703	0	33	-1.0	-48.71	326.02	5.59	-43.12
O=C([O-])C1CC(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010897704	0	34	-1.0	-49.63	313.29	5.62	-44.01
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010897705	0	27	-2.0	-110.79	279.56	2.06	-108.73
O=C([O-])C1CC(NS(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010897705	1	28	-1.0	-51.58	284.22	2.33	-49.25
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)N=C1	REAL300010897706	0	40	-1.0	-51.07	335.62	3.86	-47.21
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300010897707	0	37	-1.0	-51.21	318.74	4.78	-46.43
COC(=O)C1=NC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C	REAL300010897708	0	37	-1.0	-50.53	329.93	2.84	-47.69
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897709	0	32	-1.0	-54.16	300.67	5.36	-48.80
O=C([O-])C1CC(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010897710	0	36	-1.0	-51.73	313.74	4.77	-46.96
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010897711	0	31	-1.0	-50.68	290.18	2.65	-48.03
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=NN1C(C)C	REAL300010897712	0	38	-1.0	-50.83	325.77	3.28	-47.55
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010897713	0	36	-1.0	-49.39	323.01	5.66	-43.73
O=C([O-])C1CC(NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010897714	0	31	-1.0	-50.32	289.82	2.53	-47.79
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=C1NCCC2	REAL300010897715	0	41	-1.0	-48.90	333.25	4.35	-44.55
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1	REAL300010897716	0	43	-1.0	-49.47	372.74	7.03	-42.44
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010897717	0	36	-1.0	-50.36	324.67	5.70	-44.66
O=C([O-])C1CC(NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010897718	0	26	-1.0	-48.91	272.31	3.02	-45.89
O=C([O-])C1CC(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010897719	0	33	-1.0	-52.90	313.70	3.91	-48.99
CC1=CC(Br)=NC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897720	0	31	-1.0	-47.90	294.23	3.06	-44.84
O=C([O-])C1CC(NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010897721	0	34	-1.0	-53.59	296.80	4.10	-49.49
CC1=CC=C(I)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897722	0	32	-1.0	-47.60	304.96	5.48	-42.12
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897723	0	38	-1.0	-52.68	329.73	5.30	-47.38
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010897724	0	40	-1.0	-50.76	347.38	7.58	-43.18
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010897725	0	32	-1.0	-53.00	294.58	4.18	-48.82
O=C([O-])C1CC(NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010897726	0	28	-1.0	-47.63	278.80	2.30	-45.33
O=C([O-])C1CC(NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010897727	0	31	-1.0	-52.00	283.75	3.06	-48.94
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010897727	1	30	-2.0	-113.68	281.68	2.80	-110.88
O=C([O-])C1CC(NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010897728	0	32	-1.0	-48.19	290.95	3.05	-45.14
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897729	0	37	-1.0	-58.42	318.83	-0.77	-59.19
CC1=NC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=CC=C1Br	REAL300010897730	0	31	-1.0	-50.67	298.16	2.67	-48.00
O=C([O-])C1CC([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010897731	0	27	-2.0	-104.49	286.71	2.62	-101.87
O=C([O-])C1CC(NS(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010897731	1	28	-1.0	-48.27	291.26	2.86	-45.41
O=C([O-])C1CC(NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010897732	0	33	-1.0	-57.48	309.79	2.76	-54.72
O=C([O-])C1CC(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010897733	0	33	-1.0	-50.63	311.85	5.14	-45.49
CP(C)(=O)C1=CC=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897734	0	38	-1.0	-55.73	343.27	3.04	-52.69
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010897735	0	36	-1.0	-51.49	318.05	5.86	-45.63
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010897736	0	32	-1.0	-49.94	309.94	5.09	-44.85
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010897737	0	33	-1.0	-48.01	314.39	3.31	-44.70
COC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C(C(F)F)=C1	REAL300010897738	0	36	-1.0	-49.68	310.87	3.36	-46.32
CCOC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C1C(=O)OC	REAL300010897739	0	42	-1.0	-53.80	366.62	5.04	-48.76
COC(=O)C1CC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2C1	REAL300010897740	0	42	-1.0	-52.83	362.46	5.99	-46.84
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897741	0	35	-1.0	-47.40	319.50	1.72	-45.68
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897742	0	35	-1.0	-48.43	329.09	5.53	-42.90
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897742	1	34	-2.0	-108.74	326.08	5.20	-103.54
COC(=O)C1=CC=NC=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897743	0	34	-1.0	-52.07	302.18	3.17	-48.90
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897744	0	35	-1.0	-57.93	311.56	5.06	-52.87
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1	REAL300010897744	1	34	-2.0	-123.47	310.88	4.83	-118.64
O=C([O-])C1CC(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010897745	0	34	-1.0	-50.76	299.18	3.91	-46.85
O=C([O-])C1CC(NS(=O)(=O)C2=CC=CC=C2I)C1	REAL300010897746	0	29	-1.0	-48.74	283.91	4.74	-44.00
CCOC1=CC=CN=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897747	0	35	-1.0	-54.79	305.20	2.81	-51.98
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC3CC(C(=O)[O-])C3)C=C2C=C1	REAL300010897748	0	40	-1.0	-53.04	359.78	4.47	-48.57
CC1=CC=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300010897749	0	37	-1.0	-54.37	311.98	5.23	-49.14
O=C([O-])C1CC([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010897750	0	24	-2.0	-99.34	264.50	1.57	-97.77
O=C([O-])C1CC(NS(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010897750	1	25	-1.0	-45.84	266.45	1.89	-43.95
NC1=CC(Br)=CC(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897751	0	31	-1.0	-48.68	298.85	2.00	-46.68
CC1=CC(Cl)=CN=C1S(=O)(=O)NC1CC(C(=O)[O-])C1	REAL300010897752	0	31	-1.0	-49.01	291.11	2.85	-46.16
O=C([O-])C1CC(NS(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010897753	0	31	-1.0	-49.93	283.99	2.82	-47.11
CC1=C(S(=O)(=O)NC2CC(C(=O)[O-])C2)C=C(Cl)S1	REAL300010897754	0	29	-1.0	-46.84	289.09	3.87	-42.97
O=C([O-])C1CC(NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010897755	0	31	-1.0	-51.43	288.46	2.62	-48.81
O=C([O-])C1CC(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C1	REAL300010897756	0	36	-1.0	-52.30	335.23	4.43	-47.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2CC(C(=O)[O-])C2)=C1	REAL300010897757	0	42	-1.0	-50.47	342.29	5.63	-44.84
O=C([O-])C1CC(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010897758	0	33	-2.0	-95.65	309.00	3.42	-92.23
O=C([O-])C1CC(NS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010897758	1	34	-1.0	-51.41	312.23	2.49	-48.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3C=C2)C1	REAL300010897759	0	35	-1.0	-50.61	321.79	6.41	-44.20
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300010897760	0	29	-1.0	-48.28	283.79	4.12	-44.16
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2Br)C1	REAL300010897761	0	29	-1.0	-49.40	278.98	4.22	-45.18
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010897762	0	41	-1.0	-48.01	323.89	6.17	-41.84
COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010897763	0	38	-1.0	-53.13	326.57	3.97	-49.16
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897764	0	35	-1.0	-54.73	307.28	4.97	-49.76
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897765	0	38	-1.0	-50.08	339.08	5.08	-45.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2Cl)C1	REAL300010897766	0	29	-1.0	-50.09	291.20	4.50	-45.59
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897767	0	35	-1.0	-54.39	318.19	4.20	-50.19
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897768	0	41	-1.0	-49.01	338.90	5.77	-43.24
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897769	0	41	-1.0	-48.23	341.22	6.07	-42.16
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897770	0	46	-1.0	-53.76	399.21	3.21	-50.55
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897771	0	40	-1.0	-51.79	357.97	1.50	-50.29
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)NC3=C2)C1	REAL300010897772	0	33	-1.0	-52.64	298.24	0.31	-52.33
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897773	0	39	-1.0	-54.22	344.90	2.47	-51.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)C1	REAL300010897774	0	31	-1.0	-48.25	304.18	4.73	-43.52
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC=C2Cl)C1	REAL300010897775	0	29	-1.0	-50.32	282.13	4.63	-45.69
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C=C2Cl)C1	REAL300010897776	0	29	-1.0	-47.21	296.95	4.66	-42.55
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010897777	0	33	-1.0	-50.09	312.62	3.42	-46.67
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897778	0	40	-1.0	-55.08	347.30	2.12	-52.96
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010897779	0	29	-1.0	-50.57	272.94	3.37	-47.20
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)C1	REAL300010897779	1	28	-2.0	-101.60	277.09	3.39	-98.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300010897780	0	29	-1.0	-47.20	296.17	4.47	-42.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300010897781	0	35	-1.0	-47.12	340.61	5.52	-41.60
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897782	0	41	-1.0	-53.55	372.24	4.75	-48.80
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897783	0	41	-1.0	-54.65	361.26	5.62	-49.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2F)C1	REAL300010897784	0	29	-1.0	-48.18	277.03	3.77	-44.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2C(F)(F)F)C1	REAL300010897785	0	32	-1.0	-48.27	301.82	5.47	-42.80
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010897786	0	32	-1.0	-48.08	302.27	4.64	-43.44
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1NC(C)=O	REAL300010897787	0	40	-1.0	-57.46	346.78	1.78	-55.68
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300010897788	0	33	-1.0	-47.66	308.51	3.29	-44.37
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300010897789	0	44	-1.0	-49.13	336.81	6.55	-42.58
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300010897790	0	38	-1.0	-51.82	325.29	3.43	-48.39
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897791	0	34	-1.0	-52.04	309.33	4.79	-47.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)S2)C1	REAL300010897792	0	26	-1.0	-47.00	276.07	3.22	-43.78
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Cl	REAL300010897793	0	35	-1.0	-46.78	318.00	5.86	-40.92
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897794	0	33	-1.0	-48.60	303.87	3.98	-44.62
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897795	0	47	-1.0	-48.02	364.93	7.31	-40.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300010897796	0	45	-1.0	-48.83	364.58	7.26	-41.57
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300010897797	0	32	-1.0	-48.43	301.41	4.45	-43.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300010897798	0	39	-1.0	-48.78	325.25	5.98	-42.80
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897799	0	37	-1.0	-51.78	320.33	2.54	-49.24
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010897800	0	37	-1.0	-51.44	321.44	2.66	-48.78
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(=O)NCC(F)(F)F)C=C2)C1	REAL300010897801	0	39	-1.0	-52.29	359.93	3.04	-49.25
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010897802	0	36	-1.0	-53.14	337.12	1.65	-51.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300010897803	0	37	-1.0	-49.13	317.04	5.89	-43.24
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897804	0	39	-1.0	-59.94	334.44	3.25	-56.69
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010897805	0	26	-1.0	-46.35	286.15	3.61	-42.74
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)C1	REAL300010897805	1	25	-2.0	-100.01	281.55	3.37	-96.64
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897806	0	44	-1.0	-49.10	366.22	6.96	-42.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300010897807	0	35	-1.0	-51.16	303.46	5.84	-45.32
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300010897808	0	39	-1.0	-50.61	336.86	6.86	-43.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)C1	REAL300010897809	0	32	-1.0	-47.32	314.70	5.06	-42.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010897810	0	29	-1.0	-46.41	298.76	5.13	-41.28
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300010897810	1	28	-2.0	-101.19	299.05	5.03	-96.16
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897811	0	44	-1.0	-49.02	353.17	6.24	-42.78
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010897812	0	32	-1.0	-48.61	297.93	4.60	-44.01
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)C1	REAL300010897813	0	29	-1.0	-47.73	281.73	3.64	-44.09
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010897814	0	28	-2.0	-100.09	291.47	3.93	-96.16
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=C(Br)C=C2F)C1	REAL300010897814	1	29	-1.0	-46.25	287.36	3.92	-42.33
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)C1	REAL300010897815	0	32	-1.0	-48.27	307.08	4.54	-43.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010897816	0	29	-1.0	-46.19	295.36	4.20	-41.99
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)C1	REAL300010897816	1	28	-2.0	-100.43	291.16	3.93	-96.50
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010897817	0	29	-1.0	-46.46	273.09	3.36	-43.10
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)C1	REAL300010897817	1	28	-2.0	-99.37	276.91	3.39	-95.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300010897818	0	32	-1.0	-48.95	307.05	4.51	-44.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300010897819	0	34	-1.0	-54.63	294.13	4.68	-49.95
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)C1	REAL300010897820	0	32	-1.0	-48.48	291.48	5.02	-43.46
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300010897821	0	40	-1.0	-51.77	369.05	6.90	-44.87
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2F)C1	REAL300010897822	0	29	-1.0	-51.13	276.64	3.76	-47.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C=C2Br)C1	REAL300010897823	0	29	-1.0	-47.25	285.33	4.30	-42.95
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897824	0	35	-1.0	-49.40	319.34	3.95	-45.45
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010897825	0	33	-1.0	-50.48	298.17	2.87	-47.61
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010897826	0	28	-2.0	-105.46	273.92	3.56	-101.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=C(F)C=C2F)C1	REAL300010897826	1	29	-1.0	-48.33	275.81	3.75	-44.58
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010897827	0	29	-1.0	-47.82	289.46	4.16	-43.66
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300010897828	0	44	-1.0	-51.19	382.59	5.65	-45.54
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010897829	0	36	-1.0	-52.95	332.64	3.01	-49.94
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897830	0	45	-1.0	-51.25	372.40	6.72	-44.53
CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Cl	REAL300010897831	0	32	-1.0	-49.18	300.67	5.25	-43.93
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300010897832	0	32	-1.0	-52.48	318.34	5.14	-47.34
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897833	0	39	-1.0	-51.68	332.53	5.18	-46.50
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010897834	0	36	-1.0	-51.12	313.10	0.94	-50.18
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(N)=O	REAL300010897835	0	37	-1.0	-54.79	324.34	0.86	-53.93
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897836	0	34	-1.0	-48.60	305.43	5.04	-43.56
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010897837	0	36	-1.0	-59.42	316.65	2.13	-57.29
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897838	0	34	-1.0	-51.46	300.57	4.77	-46.69
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897839	0	35	-1.0	-50.84	334.19	4.61	-46.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C=N2)C1	REAL300010897840	0	28	-1.0	-49.09	277.75	2.29	-46.80
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897841	0	38	-1.0	-60.07	347.53	1.69	-58.38
CC(=O)NC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010897842	0	36	-1.0	-55.08	323.89	2.47	-52.61
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010897843	0	43	-1.0	-60.08	354.09	5.08	-55.00
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300010897844	0	39	-1.0	-49.19	322.33	4.28	-44.91
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC=C2Br)C1	REAL300010897845	0	29	-1.0	-48.33	286.15	4.29	-44.04
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010897846	0	40	-1.0	-51.34	346.00	2.97	-48.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300010897847	0	32	-1.0	-50.22	307.64	4.82	-45.40
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C(Cl)=C2)C1	REAL300010897848	0	29	-1.0	-47.38	298.59	4.57	-42.81
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897849	0	42	-1.0	-58.79	366.18	3.28	-55.51
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897850	0	43	-1.0	-55.67	372.95	2.28	-53.39
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897851	0	37	-1.0	-51.99	323.01	5.92	-46.07
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897852	0	41	-1.0	-49.19	343.85	6.12	-43.07
COCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897853	0	39	-1.0	-48.86	339.05	4.01	-44.85
COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897854	0	41	-1.0	-46.92	328.79	0.33	-46.59
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897855	0	32	-1.0	-49.00	295.41	4.78	-44.22
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897856	0	45	-1.0	-48.67	374.36	5.82	-42.85
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300010897857	0	43	-1.0	-49.45	356.82	5.64	-43.81
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897858	0	42	-1.0	-48.65	355.48	5.20	-43.45
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897859	0	39	-1.0	-48.75	335.30	4.52	-44.23
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010897860	0	33	-1.0	-49.70	307.98	3.35	-46.35
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300010897861	0	33	-1.0	-50.28	317.74	3.62	-46.66
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300010897862	0	42	-1.0	-49.79	352.12	5.05	-44.74
COCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897863	0	40	-1.0	-50.85	347.43	2.99	-47.86
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897864	0	40	-1.0	-56.87	353.45	3.12	-53.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300010897865	0	44	-1.0	-53.00	367.60	2.91	-50.09
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010897866	0	32	-1.0	-48.95	300.35	4.89	-44.06
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897867	0	35	-1.0	-56.24	336.67	1.57	-54.67
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897868	0	35	-1.0	-50.95	323.25	5.50	-45.45
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300010897869	0	34	-1.0	-51.76	303.49	3.87	-47.89
COC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897870	0	35	-1.0	-50.64	338.74	4.72	-45.92
COC1=CC(F)=CC(F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897871	0	33	-1.0	-50.37	298.60	3.88	-46.49
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010897871	1	32	-2.0	-110.25	296.31	3.68	-106.57
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897872	0	33	-1.0	-51.14	319.30	4.77	-46.37
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897873	0	46	-1.0	-55.10	404.22	2.58	-52.52
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300010897874	0	39	-1.0	-53.67	344.80	4.15	-49.52
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010897875	0	38	-1.0	-50.42	333.49	4.64	-45.78
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010897876	0	39	-1.0	-58.19	334.33	-0.94	-59.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)C1	REAL300010897877	0	38	-1.0	-58.03	331.41	3.52	-54.51
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300010897878	0	38	-1.0	-54.11	336.59	4.80	-49.31
CCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010897879	0	38	-1.0	-50.67	316.90	3.21	-47.46
CC(C)CN1C=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897880	0	38	-1.0	-53.48	327.01	4.46	-49.02
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897881	0	41	-1.0	-49.07	314.12	5.83	-43.24
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300010897882	0	42	-1.0	-55.45	367.39	6.42	-49.03
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897883	0	37	-1.0	-59.15	329.16	2.87	-56.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1Cl	REAL300010897884	0	35	-2.0	-113.23	336.79	3.01	-110.22
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)C1	REAL300010897885	0	36	-1.0	-55.72	328.19	4.75	-50.97
COC(=O)C1=C(F)C=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010897886	0	35	-1.0	-53.36	331.01	4.25	-49.11
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010897887	0	33	-1.0	-50.82	320.31	3.86	-46.96
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=NN1C1=CC=C(Cl)C=C1	REAL300010897888	0	39	-1.0	-51.29	358.47	5.57	-45.72
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(Br)O1	REAL300010897889	0	32	-1.0	-48.17	322.62	2.87	-45.30
COC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(Br)O1	REAL300010897889	1	31	-2.0	-99.38	318.36	2.61	-96.77
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C(Br)S1	REAL300010897890	0	29	-1.0	-47.93	293.61	4.02	-43.91
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1	REAL300010897891	0	33	-1.0	-54.58	306.63	1.82	-52.76
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010897892	0	30	-1.0	-49.60	298.67	4.30	-45.30
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010897893	0	37	-1.0	-54.68	313.96	6.39	-48.29
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897894	0	35	-1.0	-52.60	330.72	4.71	-47.89
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897895	0	38	-1.0	-57.45	337.92	1.89	-55.56
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300010897896	0	33	-1.0	-50.76	305.43	5.35	-45.41
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010897897	0	30	-1.0	-51.08	298.94	4.25	-46.83
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897898	0	45	-1.0	-52.08	375.13	5.25	-46.83
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)C1	REAL300010897899	0	40	-1.0	-57.22	350.51	3.47	-53.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300010897900	0	41	-1.0	-54.26	371.76	1.30	-52.96
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897901	0	37	-1.0	-54.49	339.13	-0.35	-54.84
CC(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010897902	0	39	-1.0	-55.54	358.27	2.43	-53.11
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010897903	0	32	-1.0	-50.93	302.81	2.27	-48.66
COC(=O)C1=CC=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010897903	1	31	-2.0	-102.78	298.19	2.00	-100.78
COC(=O)C1=C(C)OC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897904	0	35	-1.0	-50.05	321.97	3.01	-47.04
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010897905	0	30	-2.0	-127.53	283.18	5.20	-122.33
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])C1	REAL300010897905	1	31	-1.0	-57.08	288.58	5.17	-51.91
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300010897906	0	32	-1.0	-51.70	319.89	5.17	-46.53
CCOC(=O)C1=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C)N1	REAL300010897907	0	42	-1.0	-51.42	355.60	4.04	-47.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010897908	0	29	-1.0	-51.30	277.41	4.22	-47.08
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Br)C1	REAL300010897908	1	28	-2.0	-112.09	278.31	4.15	-107.94
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)=CS1	REAL300010897909	0	35	-1.0	-50.26	341.88	4.05	-46.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300010897910	0	49	-1.0	-48.78	397.12	7.10	-41.68
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(=O)NCC(F)(F)F)=CC=C2)C1	REAL300010897911	0	39	-1.0	-54.31	359.72	3.07	-51.24
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(I)=C2)C1	REAL300010897912	0	29	-1.0	-48.75	290.52	4.55	-44.20
COC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897913	0	38	-1.0	-53.83	333.57	4.92	-48.91
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010897914	0	31	-1.0	-52.07	297.37	5.48	-46.59
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010897915	0	37	-1.0	-50.12	319.10	2.46	-47.66
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010897916	0	40	-1.0	-51.36	336.57	3.56	-47.80
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010897917	0	30	-2.0	-107.15	305.17	5.95	-101.20
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])C1	REAL300010897917	1	31	-1.0	-49.68	311.49	6.22	-43.46
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)C1	REAL300010897918	0	32	-1.0	-53.87	300.54	4.34	-49.53
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897919	0	30	-1.0	-50.92	297.32	4.29	-46.63
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010897920	0	35	-1.0	-48.79	333.64	4.89	-43.90
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010897921	0	32	-1.0	-49.35	302.22	4.64	-44.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C=C3NC(=O)NC3=C2)C1	REAL300010897922	0	33	-1.0	-50.86	314.65	1.04	-49.82
COC(=O)CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010897923	0	35	-1.0	-59.19	322.66	2.24	-56.95
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300010897924	0	35	-1.0	-49.38	318.57	6.25	-43.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300010897925	0	34	-1.0	-49.39	313.08	5.61	-43.78
CC1=C(Br)SC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897926	0	29	-1.0	-47.00	295.66	3.81	-43.19
CC1=C(Br)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010897927	0	34	-1.0	-48.33	324.85	5.14	-43.19
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(F)=C1F	REAL300010897928	0	35	-1.0	-50.75	328.26	4.19	-46.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300010897929	0	47	-1.0	-47.85	348.89	5.05	-42.80
CC1=NC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300010897930	0	37	-1.0	-56.31	324.77	4.70	-51.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300010897931	0	40	-1.0	-51.20	339.68	2.04	-49.16
CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Br	REAL300010897932	0	32	-1.0	-49.38	297.12	4.81	-44.57
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897933	0	35	-1.0	-53.81	319.40	4.64	-49.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300010897934	0	37	-1.0	-51.46	322.15	1.23	-50.23
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300010897935	0	35	-1.0	-51.72	318.19	4.20	-47.52
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897936	0	35	-1.0	-49.61	317.03	5.37	-44.24
COCCN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010897937	0	36	-1.0	-52.23	322.98	1.08	-51.15
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010897938	0	35	-1.0	-50.46	333.76	4.58	-45.88
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010897939	0	42	-1.0	-51.32	354.37	6.10	-45.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897940	0	39	-1.0	-50.57	334.04	4.84	-45.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300010897941	0	34	-1.0	-61.21	311.08	3.61	-57.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300010897942	0	36	-1.0	-52.76	323.03	4.61	-48.15
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300010897943	0	43	-1.0	-54.09	380.92	5.56	-48.53
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)C1	REAL300010897944	0	31	-1.0	-51.00	307.12	4.58	-46.42
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897945	0	43	-1.0	-50.94	369.28	3.95	-46.99
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897946	0	45	-1.0	-49.35	378.53	6.03	-43.32
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010897947	0	31	-1.0	-55.51	294.90	5.63	-49.88
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])C1	REAL300010897947	1	30	-2.0	-116.84	293.02	5.44	-111.40
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010897948	0	35	-1.0	-52.07	322.03	4.13	-47.94
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(Cl)C=C1Cl	REAL300010897949	0	35	-1.0	-47.98	342.86	5.10	-42.88
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897950	0	39	-1.0	-55.62	345.89	3.92	-51.70
COC(=O)C1=CSC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897951	0	32	-1.0	-50.97	310.52	3.16	-47.81
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897952	0	41	-1.0	-53.50	350.48	5.46	-48.04
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010897953	0	38	-1.0	-50.93	333.53	4.63	-46.30
COC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897954	0	35	-1.0	-53.08	323.53	4.17	-48.91
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300010897955	0	39	-1.0	-48.57	317.25	6.15	-42.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300010897956	0	35	-1.0	-52.91	311.11	5.26	-47.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010897957	0	28	-1.0	-48.21	279.16	2.26	-45.95
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300010897958	0	33	-1.0	-47.86	318.84	4.96	-42.90
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010897959	0	43	-1.0	-50.85	373.53	1.42	-49.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(Br)=C2)C1	REAL300010897960	0	29	-1.0	-48.27	289.72	4.12	-44.15
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300010897961	0	36	-1.0	-63.38	327.13	1.36	-62.02
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897962	0	32	-1.0	-48.01	295.31	4.88	-43.13
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010897963	0	33	-1.0	-48.93	312.63	3.42	-45.51
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010897964	0	40	-1.0	-50.10	340.13	4.70	-45.40
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010897965	0	37	-1.0	-52.50	341.40	0.27	-52.23
CCC(=O)NCC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1OC	REAL300010897966	0	46	-1.0	-55.33	393.43	2.65	-52.68
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897967	0	33	-1.0	-49.53	308.40	3.55	-45.98
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897968	0	38	-1.0	-57.85	344.83	1.86	-55.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)C1	REAL300010897969	0	31	-1.0	-48.94	310.95	3.36	-45.58
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897970	0	34	-1.0	-56.18	318.74	4.54	-51.64
N#CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897971	0	30	-1.0	-49.61	304.84	4.45	-45.16
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010897972	0	36	-1.0	-49.81	334.47	4.35	-45.46
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)C1	REAL300010897973	0	34	-1.0	-51.12	313.18	-1.05	-52.17
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2S1	REAL300010897974	0	43	-1.0	-50.20	375.47	5.43	-44.77
COC(=O)CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010897975	0	38	-1.0	-53.13	326.57	3.97	-49.16
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897976	0	34	-1.0	-52.00	320.12	3.58	-48.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300010897977	0	37	-1.0	-56.15	326.19	4.74	-51.41
CCS(=O)(=O)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897978	0	45	-1.0	-59.19	398.91	2.16	-57.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300010897979	0	35	-1.0	-57.90	304.40	-0.15	-58.05
CN1C(=O)N(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010897980	0	39	-1.0	-54.12	342.04	4.36	-49.76
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300010897981	0	34	-1.0	-55.47	310.94	3.63	-51.84
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1	REAL300010897982	0	39	-1.0	-48.84	329.18	4.52	-44.32
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010897983	0	37	-1.0	-55.69	339.08	-0.34	-56.03
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897984	0	38	-1.0	-53.98	335.04	5.17	-48.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300010897985	0	33	-1.0	-51.84	301.28	3.51	-48.33
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897986	0	33	-1.0	-49.44	302.87	4.47	-44.97
CCCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897987	0	41	-1.0	-49.89	360.63	5.87	-44.02
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(C=C2Br)OCCO3)C1	REAL300010897988	0	35	-1.0	-49.88	323.44	3.39	-46.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300010897989	0	35	-1.0	-51.69	325.33	5.20	-46.49
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897990	0	40	-1.0	-48.76	328.00	5.12	-43.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)N=C2Cl)C1	REAL300010897991	0	28	-1.0	-49.30	287.98	2.63	-46.67
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300010897992	0	35	-1.0	-52.17	306.42	3.10	-49.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300010897993	0	34	-1.0	-51.12	298.57	3.96	-47.16
CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010897994	0	32	-1.0	-47.65	299.20	4.92	-42.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)CCC3=C2)C1	REAL300010897995	0	37	-1.0	-52.38	322.50	2.64	-49.74
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010897996	0	45	-1.0	-54.37	377.83	4.38	-49.99
COC1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010897997	0	37	-1.0	-49.75	338.35	3.42	-46.33
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OCC	REAL300010897998	0	43	-1.0	-51.21	365.10	4.49	-46.72
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010897999	0	35	-1.0	-57.84	303.91	2.21	-55.63
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(=O)N(C)C1=O	REAL300010897999	1	34	-2.0	-114.43	306.17	2.07	-112.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898000	0	34	-1.0	-55.54	316.86	-1.59	-57.13
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300010898291	0	36	-1.0	-50.52	312.39	3.70	-46.82
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010898292	0	36	-1.0	-53.24	326.83	4.04	-49.20
COC(=O)C1CCCCC1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898293	0	41	-1.0	-53.29	326.22	4.87	-48.42
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898294	0	44	-1.0	-51.10	351.49	4.34	-46.76
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898295	0	37	-1.0	-51.24	335.47	5.64	-45.60
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898296	0	36	-1.0	-54.70	318.82	2.37	-52.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898297	0	37	-1.0	-50.24	322.74	5.44	-44.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300010898298	0	34	-1.0	-49.25	313.10	4.04	-45.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010898299	0	29	-1.0	-47.32	290.28	4.59	-42.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010898300	0	31	-1.0	-56.19	280.03	4.96	-51.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898301	0	26	-1.0	-48.27	266.91	2.22	-46.05
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898301	1	25	-2.0	-102.59	263.04	1.94	-100.65
N#CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCCC1	REAL300010898302	0	39	-1.0	-57.98	317.68	4.33	-53.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010898303	0	31	-1.0	-52.01	290.76	4.15	-47.86
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898304	0	33	-1.0	-48.50	313.27	3.42	-45.08
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1C	REAL300010898305	0	39	-1.0	-55.49	346.28	4.50	-50.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010898306	0	42	-1.0	-60.02	374.27	4.54	-55.48
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C12	REAL300010898307	0	36	-1.0	-53.00	323.78	1.20	-51.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010898308	0	41	-1.0	-52.38	346.68	4.97	-47.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010898309	0	29	-1.0	-51.43	274.59	4.11	-47.32
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010898309	1	28	-2.0	-112.66	275.11	4.01	-108.65
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Cl)=N1	REAL300010898310	0	31	-1.0	-51.14	293.12	2.80	-48.34
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898311	0	34	-1.0	-50.23	311.90	3.69	-46.54
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010898312	0	36	-1.0	-51.10	319.31	5.25	-45.85
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898313	0	33	-1.0	-49.21	317.67	4.97	-44.24
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898314	0	31	-1.0	-49.51	301.35	3.80	-45.71
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898315	0	39	-1.0	-58.41	345.88	0.05	-58.36
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300010898316	0	32	-1.0	-49.33	303.40	1.45	-47.88
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898317	0	38	-1.0	-53.83	338.39	4.46	-49.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010898318	0	44	-1.0	-52.27	376.20	3.93	-48.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010898319	0	28	-1.0	-51.81	284.26	3.23	-48.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898320	0	47	0.0	-75.45	374.71	4.57	-70.88
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898321	0	35	-1.0	-53.51	313.14	4.88	-48.63
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898322	0	32	-1.0	-46.99	298.49	4.99	-42.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300010898323	0	33	-1.0	-56.04	301.01	3.54	-52.50
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010898324	0	29	-1.0	-48.07	281.60	3.87	-44.20
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898325	0	37	-1.0	-54.67	314.49	4.01	-50.66
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C	REAL300010898326	0	56	-1.0	-50.70	445.59	7.93	-42.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010898327	0	38	-1.0	-50.16	323.53	4.95	-45.21
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898328	0	43	-1.0	-51.75	375.16	4.61	-47.14
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898329	0	30	-1.0	-49.68	296.74	4.46	-45.22
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010898330	0	32	-1.0	-54.15	306.41	2.56	-51.59
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300010898331	0	44	-1.0	-57.09	362.21	3.86	-53.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010898332	0	35	-1.0	-49.37	329.82	6.32	-43.05
COC(=O)CCCCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898333	0	40	-1.0	-56.79	346.46	4.30	-52.49
CN1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CN=C21	REAL300010898334	0	34	-1.0	-52.35	306.82	2.62	-49.73
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898335	0	31	-2.0	-99.47	322.97	3.72	-95.75
COC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898335	1	32	-1.0	-47.86	329.06	3.65	-44.21
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898336	0	37	-1.0	-53.20	329.85	1.67	-51.53
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010898338	0	32	-1.0	-46.82	317.94	5.00	-41.82
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898339	0	40	-1.0	-52.54	334.90	1.61	-50.93
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898340	0	34	-1.0	-50.93	322.38	5.48	-45.45
COC1=C(F)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898341	0	35	-1.0	-50.54	326.13	4.26	-46.28
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898342	0	39	-1.0	-51.84	353.64	2.77	-49.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010898343	0	40	-1.0	-61.72	361.57	5.28	-56.44
COC1=CC=C(CCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898344	0	39	-1.0	-51.89	337.28	4.28	-47.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300010898345	0	44	-1.0	-50.99	385.86	4.86	-46.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010898346	0	32	-1.0	-54.84	301.24	2.36	-52.48
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010898347	0	40	-1.0	-53.80	343.80	4.80	-49.00
CC1=CC=NC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010898348	0	37	-1.0	-54.86	320.79	4.66	-50.20
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(OC)C=C1Br	REAL300010898349	0	37	-1.0	-49.94	341.41	3.20	-46.74
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010898350	0	32	-1.0	-50.80	294.94	4.32	-46.48
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010898351	0	32	-1.0	-48.30	299.10	4.26	-44.04
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898352	0	32	-1.0	-48.76	305.40	4.72	-44.04
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898353	0	33	-1.0	-51.78	299.30	4.57	-47.21
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898354	0	36	-1.0	-53.04	337.00	3.10	-49.94
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898355	0	40	-1.0	-58.33	341.81	3.44	-54.89
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300010898356	0	41	-1.0	-53.89	352.50	3.50	-50.39
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300010898357	0	35	-1.0	-50.83	342.97	1.62	-49.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300010898358	0	37	-1.0	-51.15	331.98	4.77	-46.38
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898359	0	39	-1.0	-51.84	353.64	2.77	-49.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)C1	REAL300010898360	0	32	-1.0	-53.05	309.02	4.74	-48.31
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(OC)=C1	REAL300010898361	0	39	-1.0	-51.31	345.86	3.95	-47.36
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=CS1	REAL300010898362	0	35	-1.0	-52.89	317.91	4.67	-48.22
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1F	REAL300010898363	0	33	-1.0	-49.73	298.43	2.83	-46.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898364	0	40	-1.0	-53.48	353.03	3.56	-49.92
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898365	0	43	-1.0	-52.06	379.95	4.71	-47.35
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300010898366	0	43	-1.0	-49.12	378.00	6.81	-42.31
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898367	0	37	-1.0	-51.89	334.68	5.66	-46.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010898368	0	29	-1.0	-46.90	304.86	4.61	-42.29
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)C1	REAL300010898368	1	28	-2.0	-101.34	300.28	4.35	-96.99
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898369	0	41	0.0	-74.15	340.92	5.39	-68.76
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300010898370	0	44	-1.0	-50.93	386.25	6.16	-44.77
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898371	0	41	-1.0	-52.02	354.52	5.88	-46.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010898372	0	29	-1.0	-48.45	298.00	4.61	-43.84
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)C1	REAL300010898372	1	28	-2.0	-101.58	293.83	4.33	-97.25
CC1=C(Cl)SC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898373	0	29	-1.0	-47.59	292.23	3.69	-43.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300010898374	0	35	-1.0	-50.38	308.20	4.00	-46.38
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898375	0	33	-1.0	-50.73	289.78	2.55	-48.18
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300010898376	0	37	-1.0	-55.66	319.16	6.41	-49.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300010898377	0	35	-1.0	-51.00	323.78	5.24	-45.76
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010898378	0	39	-1.0	-47.71	348.18	6.45	-41.26
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898379	0	32	-1.0	-46.94	304.17	5.04	-41.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300010898380	0	34	-1.0	-51.82	303.85	3.81	-48.01
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898381	0	35	-1.0	-53.68	313.18	4.87	-48.81
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898382	0	37	-1.0	-52.31	324.90	5.66	-46.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2Br)C1	REAL300010898383	0	29	-1.0	-49.79	294.51	4.66	-45.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898384	0	31	-1.0	-48.44	307.59	5.63	-42.81
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898384	1	30	-2.0	-102.54	304.26	5.44	-97.10
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010898385	0	39	-1.0	-47.71	348.18	6.45	-41.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)C1	REAL300010898386	0	28	-1.0	-47.95	280.57	2.12	-45.83
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)C1	REAL300010898387	0	29	-1.0	-47.91	298.85	4.53	-43.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300010898388	0	40	-1.0	-52.93	359.34	3.27	-49.66
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)C1	REAL300010898389	0	28	-2.0	-104.85	279.74	3.62	-101.23
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898390	0	39	-1.0	-50.40	324.62	5.26	-45.14
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898391	0	35	-1.0	-52.19	321.77	4.18	-48.01
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898392	0	33	-1.0	-49.30	307.89	3.75	-45.55
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)C1	REAL300010898393	0	30	-1.0	-51.42	290.72	2.24	-49.18
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300010898394	0	42	-1.0	-51.56	351.28	6.77	-44.79
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=NO1	REAL300010898395	0	40	-1.0	-54.12	344.54	4.18	-49.94
O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300010898396	0	46	-1.0	-49.09	357.88	9.69	-39.40
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010898397	0	43	-1.0	-49.89	356.93	5.69	-44.20
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898398	0	34	-1.0	-51.72	312.66	2.30	-49.42
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898399	0	30	-1.0	-49.99	303.19	4.35	-45.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010898400	0	31	-1.0	-46.90	316.25	5.12	-41.78
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)C1	REAL300010898400	1	30	-2.0	-97.64	312.82	4.82	-92.82
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898401	0	36	-1.0	-50.24	323.38	4.21	-46.03
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898402	0	35	-1.0	-47.79	338.24	4.45	-43.34
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010898403	0	37	-1.0	-49.59	334.25	3.29	-46.30
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300010898404	0	33	-1.0	-50.71	307.92	3.14	-47.57
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)C1	REAL300010898405	0	32	-1.0	-48.60	306.78	4.55	-44.05
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898406	0	40	-1.0	-53.10	354.13	0.55	-52.55
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2S1	REAL300010898407	0	41	-1.0	-52.03	377.30	6.50	-45.53
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)C1	REAL300010898408	0	35	-1.0	-57.29	316.84	2.72	-54.57
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898409	0	34	-1.0	-59.03	319.53	-0.94	-59.97
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898410	0	35	-1.0	-51.74	315.07	3.91	-47.83
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898411	0	37	-1.0	-56.06	339.00	5.33	-50.73
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010898412	0	33	-1.0	-48.57	308.40	3.54	-45.03
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)OCO2	REAL300010898413	0	35	-1.0	-49.53	303.16	3.04	-46.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)C1	REAL300010898414	0	35	-1.0	-49.35	330.31	4.61	-44.74
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898415	0	35	-1.0	-53.15	307.89	4.72	-48.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)C1	REAL300010898416	0	29	-1.0	-47.31	292.38	4.56	-42.75
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898417	0	35	-1.0	-46.40	295.08	5.14	-41.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2Br)C1	REAL300010898418	0	29	-1.0	-47.26	295.66	4.76	-42.50
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)OCC(=O)N2	REAL300010898419	0	39	-1.0	-53.30	342.24	0.48	-52.82
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010898420	0	30	-2.0	-99.21	308.54	4.44	-94.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)C1	REAL300010898420	1	31	-1.0	-46.87	312.75	4.71	-42.16
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010898421	0	31	-1.0	-47.04	309.02	4.59	-42.45
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)C1	REAL300010898421	1	30	-2.0	-95.86	304.81	4.32	-91.54
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010898422	0	29	-1.0	-46.41	288.43	4.69	-41.72
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)C1	REAL300010898422	1	28	-2.0	-100.37	288.65	4.59	-95.78
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300010898423	0	30	-1.0	-53.92	288.02	1.78	-52.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Br)=C2F)C1	REAL300010898424	0	29	-1.0	-50.89	280.96	3.86	-47.03
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300010898425	0	39	-1.0	-52.68	344.77	4.16	-48.52
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C=C2Br)C1	REAL300010898426	0	29	-1.0	-47.09	295.67	4.73	-42.36
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300010898427	0	32	-1.0	-50.95	303.01	4.70	-46.25
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898428	0	32	-1.0	-56.68	308.27	0.96	-55.72
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898428	1	31	-2.0	-92.27	304.89	-0.17	-92.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300010898429	0	32	-1.0	-52.43	307.80	4.78	-47.65
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898430	0	33	-1.0	-53.95	313.95	0.73	-53.22
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898431	0	38	-1.0	-54.56	329.15	5.90	-48.66
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898432	0	37	-1.0	-53.83	319.91	1.88	-51.95
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898433	0	33	-1.0	-54.38	318.54	0.85	-53.53
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2O1	REAL300010898434	0	40	-1.0	-52.40	340.23	4.69	-47.71
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010898435	0	33	-1.0	-51.91	319.35	4.62	-47.29
COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898436	0	38	-1.0	-53.66	325.18	2.29	-51.37
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898437	0	36	-1.0	-52.81	332.61	4.03	-48.78
N#CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898438	0	30	-1.0	-54.05	300.99	4.28	-49.77
N#CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898439	0	30	-1.0	-50.88	301.88	4.40	-46.48
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898440	0	35	-1.0	-47.25	315.94	5.37	-41.88
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898441	0	46	-1.0	-53.57	399.45	3.17	-50.40
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)C1	REAL300010898442	0	35	-1.0	-53.55	323.63	5.07	-48.48
COCCOCCOCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898443	0	43	-1.0	-54.71	371.14	0.75	-53.96
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898444	0	39	-1.0	-56.53	351.82	0.77	-55.76
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010898445	0	28	-2.0	-109.75	281.02	4.07	-105.68
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)C1	REAL300010898445	1	29	-1.0	-49.49	280.65	4.23	-45.26
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2CC1	REAL300010898446	0	46	-1.0	-55.64	375.67	5.48	-50.16
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300010898447	0	38	-1.0	-52.32	347.64	4.92	-47.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1OC	REAL300010898448	0	39	-1.0	-49.84	351.35	5.21	-44.63
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898449	0	38	-1.0	-49.62	340.39	6.27	-43.35
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898450	0	38	-1.0	-48.33	336.24	5.99	-42.34
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898451	0	39	-1.0	-56.64	342.76	2.48	-54.16
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898452	0	43	-1.0	-55.69	380.31	4.02	-51.67
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010898453	0	29	-1.0	-49.13	285.47	4.05	-45.08
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)C1	REAL300010898453	1	28	-2.0	-107.78	280.62	3.80	-103.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300010898454	0	42	-1.0	-54.35	363.50	5.01	-49.34
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010898455	0	38	-1.0	-48.68	357.88	5.50	-43.18
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Cl	REAL300010898455	1	37	-2.0	-102.33	353.30	5.26	-97.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010898456	0	31	-1.0	-49.37	305.82	5.20	-44.17
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)C1	REAL300010898456	1	30	-2.0	-102.83	306.26	5.06	-97.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300010898457	0	38	-1.0	-58.88	323.66	0.66	-58.22
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898458	0	36	-2.0	-106.53	326.11	4.71	-101.82
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1OC	REAL300010898459	0	40	-1.0	-53.80	357.99	3.28	-50.52
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010898460	0	41	-1.0	-49.64	361.53	5.63	-44.01
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898461	0	43	-1.0	-57.22	374.06	1.69	-55.53
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898462	0	40	-1.0	-51.59	345.80	2.99	-48.60
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898463	0	42	-1.0	-55.32	367.70	4.85	-50.47
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C	REAL300010898464	0	41	-1.0	-50.24	355.14	5.60	-44.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300010898465	0	32	-1.0	-49.93	299.85	4.82	-45.11
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898466	0	41	-1.0	-54.39	361.54	5.81	-48.58
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898467	0	35	-1.0	-49.66	339.05	6.02	-43.64
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898467	1	34	-2.0	-110.90	332.45	5.94	-104.96
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)C1	REAL300010898468	0	32	-1.0	-48.92	304.23	5.53	-43.39
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898469	0	45	-1.0	-51.74	363.23	4.82	-46.92
CC1=C(CCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)SC=N1	REAL300010898470	0	34	-1.0	-52.75	311.89	2.68	-50.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300010898471	0	35	-1.0	-50.87	324.50	5.49	-45.38
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898472	0	38	-1.0	-52.79	345.36	5.10	-47.69
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300010898473	0	39	-1.0	-51.20	336.96	6.87	-44.33
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898474	0	43	-1.0	-54.17	381.92	1.25	-52.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300010898475	0	32	-1.0	-50.78	303.09	4.75	-46.03
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1C	REAL300010898476	0	41	-1.0	-53.21	364.47	4.71	-48.50
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010898477	0	35	-1.0	-55.97	333.07	1.41	-54.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300010898478	0	33	-1.0	-51.35	308.74	4.29	-47.06
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300010898479	0	32	-1.0	-50.58	296.64	4.43	-46.15
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898480	0	31	-1.0	-48.65	290.01	2.97	-45.68
CC1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010898481	0	32	-1.0	-53.40	300.83	2.80	-50.60
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(Br)N1C	REAL300010898481	1	31	-2.0	-116.58	298.98	2.68	-113.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)C1	REAL300010898482	0	30	-1.0	-49.44	286.20	2.31	-47.13
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898483	0	42	-1.0	-58.09	354.99	4.32	-53.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])C1	REAL300010898484	0	32	-2.0	-91.10	308.56	2.99	-88.11
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)C1	REAL300010898484	1	33	-1.0	-50.06	311.57	2.18	-47.88
CCOC(=O)CC1(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898485	0	38	-1.0	-53.23	326.34	5.04	-48.19
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010898486	0	46	-1.0	-57.81	407.53	3.88	-53.93
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898487	0	30	-1.0	-47.50	308.86	4.44	-43.06
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898487	1	29	-2.0	-98.50	305.00	4.16	-94.34
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898488	0	40	-1.0	-53.45	360.90	2.82	-50.63
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(=O)OC(C)C	REAL300010898489	0	44	-1.0	-50.30	375.43	6.31	-43.99
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898490	0	41	-1.0	-56.23	366.35	2.67	-53.56
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898491	0	40	-1.0	-49.73	383.67	4.17	-45.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)C1	REAL300010898492	0	34	-1.0	-53.20	309.10	0.64	-52.56
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCC1	REAL300010898493	0	41	-1.0	-53.58	336.54	4.62	-48.96
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)C1	REAL300010898494	0	28	-1.0	-47.57	294.14	2.64	-44.93
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898495	0	36	-1.0	-49.58	334.51	3.67	-45.91
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300010898496	0	35	-1.0	-48.22	317.14	4.96	-43.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300010898497	0	40	-1.0	-49.35	369.83	6.87	-42.48
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898498	0	38	-1.0	-53.42	339.41	4.93	-48.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300010898499	0	31	-1.0	-52.79	286.39	3.36	-49.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300010898500	0	35	-1.0	-51.81	325.15	5.41	-46.40
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCC1	REAL300010898501	0	38	-1.0	-56.55	325.35	3.83	-52.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300010898502	0	29	-1.0	-48.00	295.82	3.66	-44.34
N#CC1=CC(F)=CC=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898503	0	33	-1.0	-53.97	311.07	4.48	-49.49
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1I	REAL300010898504	0	32	-1.0	-49.13	308.07	5.08	-44.05
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898505	0	42	-1.0	-52.86	372.32	3.86	-49.00
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898506	0	45	-1.0	-53.51	394.37	4.74	-48.77
COC(=O)C1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCCC1	REAL300010898507	0	44	-1.0	-54.73	349.24	4.95	-49.78
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN=C1C	REAL300010898508	0	37	-1.0	-49.77	329.04	2.79	-46.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)C1	REAL300010898509	0	33	-1.0	-50.63	314.28	3.34	-47.29
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898510	0	38	-1.0	-49.62	355.82	5.58	-44.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010898511	0	45	-1.0	-59.10	395.76	5.32	-53.78
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)C1	REAL300010898512	0	31	-1.0	-49.81	311.62	3.32	-46.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300010898513	0	42	-1.0	-48.91	319.95	5.50	-43.41
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300010898514	0	38	-1.0	-51.56	327.31	5.09	-46.47
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)C1	REAL300010898515	0	30	-1.0	-53.00	288.88	2.84	-50.16
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)C1	REAL300010898516	0	35	-1.0	-53.98	318.65	5.04	-48.94
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010898517	0	32	-1.0	-53.53	299.70	2.37	-51.16
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300010898517	1	31	-2.0	-105.99	297.62	2.05	-103.94
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898518	0	31	-1.0	-48.68	303.26	5.53	-43.15
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])C1	REAL300010898518	1	30	-2.0	-102.06	302.66	5.39	-96.67
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1C	REAL300010898519	0	38	-1.0	-49.82	339.66	4.71	-45.11
CC1=CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2N=C1Cl	REAL300010898520	0	37	-1.0	-50.73	338.94	4.89	-45.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300010898521	0	38	-1.0	-49.81	314.78	4.68	-45.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCOCC2=CC=CC=C2)C1	REAL300010898522	0	39	-1.0	-51.19	341.80	4.25	-46.94
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300010898523	0	56	-1.0	-47.64	422.92	9.49	-38.15
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)C1	REAL300010898524	0	34	-1.0	-51.35	308.70	5.11	-46.24
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898525	0	41	-1.0	-53.39	362.96	5.79	-47.60
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898526	0	34	-1.0	-54.98	303.21	3.18	-51.80
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898527	0	36	-1.0	-49.09	330.89	3.75	-45.34
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CCC2=C1	REAL300010898528	0	41	-1.0	-50.17	346.42	5.20	-44.97
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)C1	REAL300010898529	0	37	-1.0	-49.60	322.97	4.46	-45.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010898530	0	32	-1.0	-49.60	298.64	3.95	-45.65
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300010898530	1	31	-2.0	-104.84	294.89	3.67	-101.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010898531	0	32	-1.0	-49.13	309.68	5.08	-44.05
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)C1	REAL300010898531	1	31	-2.0	-110.63	313.03	5.15	-105.48
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898532	0	43	-1.0	-52.55	376.81	1.65	-50.90
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898532	1	42	-2.0	-93.57	373.54	1.74	-91.83
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)C1	REAL300010898533	0	32	-1.0	-52.98	313.43	4.83	-48.15
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898534	0	38	-1.0	-62.64	347.19	1.68	-60.96
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300010898535	0	38	-1.0	-50.58	329.96	6.37	-44.21
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898536	0	38	-1.0	-49.41	345.84	5.44	-43.97
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)C1	REAL300010898537	0	44	-1.0	-57.49	384.33	4.01	-53.48
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898538	0	42	-1.0	-54.61	358.69	3.81	-50.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=C(F)C=CC=C2Cl)C1	REAL300010898539	0	32	-1.0	-52.84	305.38	4.64	-48.20
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)C1	REAL300010898540	0	35	-1.0	-51.66	313.42	5.79	-45.87
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(CC)=C1	REAL300010898541	0	47	-1.0	-47.68	362.89	8.14	-39.54
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C12	REAL300010898542	0	48	-1.0	-52.35	404.25	4.23	-48.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300010898543	0	36	-1.0	-54.01	318.73	3.21	-50.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)C1	REAL300010898544	0	31	-1.0	-50.50	310.64	3.41	-47.09
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898545	0	37	-1.0	-50.33	336.72	3.12	-47.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300010898546	0	37	-1.0	-52.99	333.64	2.06	-50.93
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898547	0	34	-1.0	-56.61	316.72	-1.56	-58.17
CC(C)(CCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300010898548	0	40	-1.0	-59.52	335.78	0.60	-58.92
COC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010898549	0	33	-1.0	-49.05	308.24	3.31	-45.74
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=C3NC(=O)OC3=C2)C1	REAL300010898550	0	32	-1.0	-50.44	291.99	0.75	-49.69
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898551	0	42	-1.0	-52.93	358.90	4.65	-48.28
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300010898552	0	38	-1.0	-49.29	329.03	6.36	-42.93
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300010898553	0	33	-1.0	-50.30	307.70	3.57	-46.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300010898554	0	33	-1.0	-47.97	309.05	4.13	-43.84
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898555	0	38	-1.0	-53.86	344.84	4.98	-48.88
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898556	0	42	-1.0	-50.89	360.76	4.90	-45.99
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898557	0	33	-1.0	-49.09	288.97	3.42	-45.67
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)C1	REAL300010898558	0	32	-1.0	-49.57	321.04	5.25	-44.32
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)C1	REAL300010898559	0	32	-1.0	-49.48	319.71	5.27	-44.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)C1	REAL300010898560	0	32	-1.0	-49.18	302.29	2.55	-46.63
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898561	0	37	-1.0	-51.87	324.85	5.32	-46.55
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898562	0	45	-1.0	-50.25	366.99	5.56	-44.69
CN1C=C(Br)C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898563	0	36	-1.0	-51.06	337.90	5.87	-45.19
N#CCC1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898564	0	36	-1.0	-57.84	328.66	5.34	-52.50
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898565	0	32	-1.0	-48.89	306.03	0.69	-48.20
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898566	0	38	-1.0	-51.29	336.89	4.84	-46.45
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898567	0	38	-1.0	-49.90	356.04	5.13	-44.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300010898568	0	32	-1.0	-50.23	303.10	4.72	-45.51
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Cl	REAL300010898569	0	32	-1.0	-48.12	298.25	4.55	-43.57
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300010898570	0	35	-1.0	-54.97	310.55	4.48	-50.49
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)=N1	REAL300010898571	0	38	-1.0	-51.32	348.98	4.92	-46.40
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898572	0	35	-1.0	-51.95	338.42	4.66	-47.29
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898572	1	34	-2.0	-108.25	334.21	4.38	-103.87
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898573	0	38	-1.0	-52.52	343.85	4.82	-47.70
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898574	0	35	-1.0	-51.85	320.18	5.26	-46.59
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCCC2CCOCC2)C1	REAL300010898575	0	42	-1.0	-52.49	341.34	3.50	-48.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)C1	REAL300010898576	0	44	-1.0	-53.48	377.14	1.30	-52.18
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300010898577	0	37	-1.0	-50.80	315.08	4.68	-46.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300010898578	0	36	-1.0	-57.16	327.60	1.36	-55.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)C1	REAL300010898579	0	29	-1.0	-47.90	285.05	4.06	-43.84
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)SC(Br)=C1	REAL300010898580	0	29	-1.0	-46.49	291.86	4.06	-42.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300010898581	0	38	-1.0	-52.38	324.58	3.83	-48.55
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898582	0	39	-1.0	-53.67	322.81	2.03	-51.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=C(F)C=C2)C1	REAL300010898583	0	35	-1.0	-51.24	314.19	5.05	-46.19
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC=C2F)C1	REAL300010898584	0	35	-1.0	-51.71	313.34	5.02	-46.69
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC=C2Cl)C1	REAL300010898585	0	35	-1.0	-50.80	320.47	5.35	-45.45
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898586	0	33	-1.0	-47.91	317.77	3.94	-43.97
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C(=O)NCCC2	REAL300010898587	0	44	-1.0	-59.04	367.63	2.33	-56.71
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)S2)C1	REAL300010898588	0	40	-1.0	-53.17	352.25	3.93	-49.24
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)SC2=CC=C(C#N)C=C12	REAL300010898589	0	36	-1.0	-51.15	337.95	5.75	-45.40
COC(CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCOC1	REAL300010898590	0	40	-1.0	-51.46	325.96	1.62	-49.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(F)=CC=C2Br)C1	REAL300010898591	0	32	-1.0	-49.78	309.49	4.82	-44.96
NC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010898592	0	33	-1.0	-50.68	319.50	0.94	-49.74
NC(=O)C1=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1Br	REAL300010898592	1	32	-2.0	-102.09	314.93	0.67	-101.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300010898593	0	32	-1.0	-50.07	306.21	4.71	-45.36
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)C1	REAL300010898594	0	29	-1.0	-46.47	300.50	4.63	-41.84
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898595	0	36	-1.0	-56.65	318.38	0.93	-55.72
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898596	0	54	-1.0	-49.14	443.03	8.37	-40.77
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898597	0	44	-1.0	-53.79	372.33	5.84	-47.95
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898598	0	39	-1.0	-48.96	355.41	5.62	-43.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)C(F)=C2)C1	REAL300010898599	0	29	-1.0	-47.82	289.46	4.16	-43.66
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898600	0	35	-1.0	-52.19	321.77	4.18	-48.01
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300010898601	0	43	-1.0	-51.11	370.63	6.55	-44.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300010898602	0	43	-1.0	-51.61	379.93	6.85	-44.76
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010898603	0	28	-1.0	-52.22	274.55	2.39	-49.83
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC=C2Br)C1	REAL300010898603	1	27	-2.0	-111.19	270.34	2.12	-109.07
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)=N1	REAL300010898604	0	41	-1.0	-53.26	356.81	3.36	-49.90
COC(CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300010898605	0	39	-1.0	-51.23	344.33	4.61	-46.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)C1	REAL300010898606	0	41	-1.0	-52.29	346.51	4.95	-47.34
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)N(C)N=C1	REAL300010898607	0	35	-1.0	-51.00	307.47	2.40	-48.60
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Cl	REAL300010898608	0	37	-1.0	-50.69	343.46	2.34	-48.35
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C12	REAL300010898609	0	41	-1.0	-51.92	354.29	6.34	-45.58
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898610	0	40	-1.0	-53.10	348.47	2.63	-50.47
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898611	0	35	-1.0	-52.12	327.68	4.22	-47.90
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898611	1	34	-2.0	-107.85	323.55	3.95	-103.90
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C(Cl)C=C21	REAL300010898612	0	40	-1.0	-58.47	354.53	5.08	-53.39
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898613	0	42	-1.0	-49.43	352.79	5.12	-44.31
COC(CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCCC1	REAL300010898614	0	42	-1.0	-50.63	335.72	3.83	-46.80
COC(CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300010898615	0	45	-1.0	-51.35	355.33	4.64	-46.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300010898616	0	32	-1.0	-48.51	302.21	3.00	-45.51
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010898617	0	48	-1.0	-49.27	394.18	6.50	-42.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010898618	0	32	-1.0	-57.89	312.75	3.28	-54.61
COC1=CC(F)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898619	0	33	-1.0	-48.73	297.53	3.35	-45.38
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300010898620	0	37	-1.0	-51.60	326.16	5.83	-45.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300010898621	0	42	-1.0	-49.09	364.93	5.76	-43.33
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898622	0	35	-1.0	-50.71	320.67	2.85	-47.86
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898622	1	34	-2.0	-102.08	316.45	2.57	-99.51
CCC1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300010898623	0	42	-1.0	-54.05	360.68	5.46	-48.59
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898624	0	35	-1.0	-51.79	328.70	5.59	-46.20
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C1	REAL300010898625	0	40	-1.0	-56.37	347.72	4.02	-52.35
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898626	0	32	-1.0	-47.59	299.91	1.98	-45.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300010898627	0	40	-1.0	-51.44	363.29	7.54	-43.90
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898628	0	32	-1.0	-47.03	304.26	5.03	-42.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300010898629	0	39	-1.0	-52.93	329.36	6.88	-46.05
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010898630	0	49	-1.0	-50.73	415.75	8.24	-42.49
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898631	0	35	-1.0	-51.62	324.53	5.40	-46.22
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898632	0	36	-1.0	-52.14	331.24	4.12	-48.02
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=C(F)C=CC=C2F)C1	REAL300010898633	0	35	-1.0	-52.96	318.54	5.00	-47.96
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1F	REAL300010898634	0	32	-1.0	-51.98	286.97	3.96	-48.02
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010898635	0	28	-1.0	-50.43	285.29	2.15	-48.28
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)C1	REAL300010898635	1	27	-2.0	-102.10	280.99	1.88	-100.22
CC(C)OC1=CN=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898636	0	38	-1.0	-48.18	327.00	2.55	-45.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CN=C2OCC(F)F)C1	REAL300010898637	0	35	-1.0	-55.30	308.96	1.74	-53.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(NC(=O)C(F)(F)F)=CC=C2)C1	REAL300010898638	0	36	-1.0	-50.76	338.24	2.75	-48.01
COC(=O)C1=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)OC=C1	REAL300010898639	0	31	-2.0	-114.89	292.39	2.58	-112.31
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)OC=C1	REAL300010898639	1	32	-1.0	-55.00	296.61	2.85	-52.15
CCC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300010898640	0	42	-1.0	-49.75	349.13	5.15	-44.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300010898641	0	35	-1.0	-48.32	333.89	5.33	-42.99
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898642	0	37	-1.0	-51.53	331.25	4.51	-47.02
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300010898643	0	30	-2.0	-120.43	287.02	2.12	-118.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N1	REAL300010898643	1	31	-1.0	-56.49	290.37	2.46	-54.03
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898644	0	32	-1.0	-46.74	313.31	5.44	-41.30
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300010898645	0	38	-1.0	-51.14	312.79	6.51	-44.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)C1	REAL300010898646	0	36	-1.0	-49.89	334.10	3.38	-46.51
CC1=CC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C2NC1=O	REAL300010898647	0	38	-1.0	-53.39	333.73	3.18	-50.21
CN1N=NC2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898648	0	34	-1.0	-53.54	306.31	1.95	-51.59
CC1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)S1	REAL300010898649	0	38	-1.0	-52.03	343.07	5.15	-46.88
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010898650	0	29	-1.0	-52.89	276.50	1.04	-51.85
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)C1	REAL300010898650	1	28	-2.0	-103.09	274.67	0.73	-102.36
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(F)C=C1[N+](=O)[O-]	REAL300010898651	0	34	-1.0	-48.97	313.07	4.72	-44.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)C1	REAL300010898652	0	35	-1.0	-51.19	320.35	4.70	-46.49
C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898653	0	46	0.0	-74.51	363.22	2.56	-71.95
CN1CCN(CCCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300010898653	1	45	-1.0	-50.72	361.40	0.33	-50.39
CN1N=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Br	REAL300010898654	0	29	-1.0	-48.46	286.59	1.62	-46.84
CN1N=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1I	REAL300010898655	0	29	-1.0	-47.87	291.95	2.05	-45.82
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898656	0	33	-1.0	-50.03	296.92	4.62	-45.41
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898657	0	38	-1.0	-49.53	331.92	2.00	-47.53
CCCCN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=N1	REAL300010898658	0	41	-1.0	-51.63	352.79	4.17	-47.46
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(OC)C=C1F	REAL300010898659	0	39	-1.0	-51.52	350.05	3.93	-47.59
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898660	0	39	-1.0	-54.56	336.66	4.27	-50.29
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898661	0	33	-1.0	-50.59	297.63	3.50	-47.09
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010898662	0	45	-1.0	-49.52	372.69	5.70	-43.82
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898663	0	41	-1.0	-48.65	340.68	5.75	-42.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(F)C=C2Cl)C1	REAL300010898664	0	32	-1.0	-49.97	306.15	4.70	-45.27
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300010898665	0	48	-1.0	-51.86	388.32	7.98	-43.88
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898666	0	34	-1.0	-52.59	325.20	3.68	-48.91
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010898667	0	26	-1.0	-51.86	262.23	1.47	-50.39
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)NC=N2)C1	REAL300010898667	1	25	-2.0	-110.66	258.39	1.22	-109.44
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=NOC3=CC=CC=C32)C1	REAL300010898668	0	37	-1.0	-56.18	331.27	4.29	-51.89
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010898669	0	28	-1.0	-47.68	288.26	2.70	-44.98
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)C1	REAL300010898669	1	27	-2.0	-100.79	283.72	2.41	-98.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010898670	0	28	-1.0	-50.86	272.38	1.78	-49.08
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)C1	REAL300010898670	1	27	-2.0	-104.52	276.04	1.81	-102.71
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898671	0	32	-1.0	-48.83	310.58	1.24	-47.59
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)C1	REAL300010898672	0	34	-1.0	-51.90	318.13	4.30	-47.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)C1	REAL300010898673	0	31	-1.0	-48.99	302.21	3.36	-45.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)C1	REAL300010898674	0	39	-1.0	-51.55	354.84	4.31	-47.24
CC1(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1(Cl)Cl	REAL300010898675	0	32	-1.0	-50.43	300.67	4.21	-46.22
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=C(Br)SC=N2)C1	REAL300010898676	0	28	-1.0	-51.40	290.83	1.84	-49.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)C1	REAL300010898677	0	31	-1.0	-50.42	316.24	3.55	-46.87
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C([N+](=O)[O-])S1	REAL300010898678	0	31	-1.0	-52.66	297.01	4.74	-47.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2CC(=O)N(C3CC3)C2)C1	REAL300010898679	0	37	-1.0	-54.54	314.23	2.78	-51.76
CCOC(=O)C1(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCC1	REAL300010898680	0	38	-1.0	-49.43	313.52	4.14	-45.29
CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300010898681	0	40	-1.0	-58.24	347.32	0.12	-58.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)C1	REAL300010898682	0	30	-1.0	-49.34	308.39	2.57	-46.77
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898683	0	38	-1.0	-53.66	341.10	4.86	-48.80
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010898684	0	31	-2.0	-109.84	306.26	4.35	-105.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)C1	REAL300010898684	1	32	-1.0	-49.50	312.99	4.45	-45.05
CN1N=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010898685	0	32	-1.0	-48.78	296.09	2.20	-46.58
CN1N=CC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1C(F)(F)F	REAL300010898685	1	31	-2.0	-102.73	293.35	1.86	-100.87
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898686	0	39	-1.0	-48.65	318.30	3.48	-45.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010898687	0	26	-1.0	-48.77	272.64	3.04	-45.73
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300010898688	0	41	-1.0	-51.49	335.58	3.84	-47.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300010898689	0	39	-1.0	-50.69	329.92	3.85	-46.84
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898690	0	32	-1.0	-47.47	291.87	2.28	-45.19
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898691	0	47	-1.0	-53.72	405.92	5.24	-48.48
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Br)=N1	REAL300010898692	0	29	-1.0	-52.32	287.79	1.68	-50.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)C1	REAL300010898693	0	31	-1.0	-49.23	297.20	2.56	-46.67
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898694	0	36	-1.0	-53.77	321.03	3.60	-50.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)C1	REAL300010898695	0	43	-1.0	-52.70	368.43	4.70	-48.00
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898696	0	39	-1.0	-49.45	339.90	6.22	-43.23
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898697	0	32	-1.0	-57.34	290.02	0.97	-56.37
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898697	1	31	-2.0	-120.61	289.39	0.89	-119.72
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898698	0	32	-1.0	-47.58	314.02	5.43	-42.15
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898699	0	34	-1.0	-54.79	308.24	3.98	-50.81
CC(C)(C)S(C)(=O)=NS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898700	0	38	-1.0	-62.11	326.83	1.51	-60.60
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010898701	0	51	-1.0	-49.12	415.66	7.27	-41.85
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)C1	REAL300010898702	0	32	-1.0	-49.97	299.40	4.35	-45.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)C1	REAL300010898703	0	40	-1.0	-52.11	351.56	4.19	-47.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300010898704	0	33	-1.0	-50.02	311.87	5.17	-44.85
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300010898705	0	51	-1.0	-49.04	406.71	7.16	-41.88
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1CC	REAL300010898706	0	45	-1.0	-49.21	377.23	5.97	-43.24
N#CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898707	0	36	-1.0	-54.71	326.44	5.40	-49.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898708	0	35	-1.0	-46.27	304.89	5.49	-40.78
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898709	0	43	-1.0	-58.41	361.76	3.10	-55.31
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)C1	REAL300010898710	0	32	-1.0	-51.29	317.88	5.20	-46.09
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC(F)=C2Br)C1	REAL300010898711	0	32	-1.0	-53.14	308.97	4.76	-48.38
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300010898712	0	39	-1.0	-55.74	344.62	5.40	-50.34
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898713	0	35	-1.0	-49.70	321.92	5.47	-44.23
CC1=CN=C(Cl)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898714	0	31	-1.0	-50.37	292.59	2.84	-47.53
COC1=CC=C(Br)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898715	0	33	-1.0	-52.43	306.49	3.52	-48.91
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1F	REAL300010898715	1	32	-2.0	-112.86	307.66	3.45	-109.41
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898716	0	39	-1.0	-52.74	337.25	5.76	-46.98
CCOC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)N(C)N=C1	REAL300010898717	0	38	-1.0	-51.65	329.95	3.32	-48.33
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300010898718	0	33	-1.0	-49.91	308.62	5.10	-44.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300010898719	0	34	-1.0	-51.34	295.02	0.47	-50.87
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C(C(N)=O)O1	REAL300010898720	0	33	-1.0	-52.56	303.65	-0.93	-53.49
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010898721	0	41	-1.0	-55.59	368.37	5.09	-50.50
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898722	0	42	-1.0	-51.87	364.49	4.24	-47.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=NOC3=C2CCCC3)C1	REAL300010898723	0	38	-1.0	-55.14	324.79	4.16	-50.98
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC=C2C(F)F)C1	REAL300010898724	0	29	-1.0	-49.13	277.60	3.66	-45.47
COC(=O)C1=CC=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898725	0	34	-1.0	-54.05	314.32	2.26	-51.79
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2=CC=CC(F)=C2)C1	REAL300010898726	0	35	-1.0	-53.04	314.33	5.01	-48.03
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898727	0	45	-1.0	-51.03	375.87	6.24	-44.79
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300010898728	0	34	-1.0	-54.10	299.44	4.01	-50.09
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898729	0	49	-1.0	-56.61	388.13	5.85	-50.76
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898730	0	36	-1.0	-56.10	318.83	3.40	-52.70
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898731	0	43	-1.0	-51.36	358.08	3.56	-47.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)C1	REAL300010898732	0	44	-1.0	-60.66	373.22	6.14	-54.52
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898733	0	43	-1.0	-61.38	363.49	5.37	-56.01
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300010898734	0	36	-2.0	-107.92	307.20	3.14	-104.78
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300010898735	0	44	-1.0	-50.74	393.28	7.38	-43.36
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300010898736	0	39	-1.0	-48.62	330.00	3.92	-44.70
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010898737	0	41	-1.0	-51.69	353.93	6.34	-45.35
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898738	0	42	-1.0	-55.20	368.06	4.84	-50.36
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898739	0	39	-1.0	-53.55	336.71	4.27	-49.28
CC1(C)COC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=NN2C1	REAL300010898740	0	40	-1.0	-50.48	332.89	1.60	-48.88
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300010898741	0	35	-1.0	-50.16	330.15	4.37	-45.79
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)C1	REAL300010898742	0	35	-1.0	-52.11	313.18	0.72	-51.39
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010898743	0	25	-2.0	-105.53	260.40	1.89	-103.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C=CO2)C1	REAL300010898743	1	26	-1.0	-49.13	263.18	2.23	-46.90
COC1=C(F)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898744	0	33	-1.0	-48.89	308.59	3.00	-45.89
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1F	REAL300010898745	0	33	-1.0	-48.61	296.05	2.62	-45.99
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010898746	0	54	-1.0	-49.17	437.18	8.06	-41.11
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898747	0	45	-1.0	-48.78	362.03	5.50	-43.28
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898748	0	39	-1.0	-51.10	337.39	4.90	-46.20
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(C)C	REAL300010898749	0	52	-1.0	-51.83	428.16	5.92	-45.91
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2O1	REAL300010898750	0	37	-1.0	-51.96	320.17	4.06	-47.90
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898751	0	37	-1.0	-48.56	331.90	3.13	-45.43
N#CC1(C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300010898752	0	37	-1.0	-52.30	330.70	5.70	-46.60
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898753	0	33	-1.0	-49.85	298.34	4.04	-45.81
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898753	1	32	-2.0	-109.23	298.69	3.86	-105.37
CC1=C(Br)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C)S1	REAL300010898754	0	32	-1.0	-47.59	304.55	4.75	-42.84
CC1=CC(Cl)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Br)=C1	REAL300010898755	0	32	-1.0	-49.34	307.23	5.43	-43.91
COC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=N1	REAL300010898756	0	34	-1.0	-53.51	313.79	2.30	-51.21
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Br	REAL300010898757	0	35	-1.0	-53.99	328.73	4.73	-49.26
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898758	0	46	-1.0	-59.97	371.15	5.41	-54.56
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300010898759	0	35	-1.0	-51.46	314.17	4.07	-47.39
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C21	REAL300010898760	0	43	-1.0	-59.92	362.08	5.12	-54.80
CN1N=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898761	0	29	-1.0	-47.72	281.41	1.58	-46.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)C1	REAL300010898762	0	31	-1.0	-48.38	296.64	2.60	-45.78
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898763	0	34	-1.0	-58.23	305.03	3.06	-55.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300010898764	0	33	-1.0	-51.78	317.50	4.05	-47.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)C1	REAL300010898765	0	32	-1.0	-57.24	307.42	3.19	-54.05
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300010898766	0	32	-1.0	-50.11	301.35	4.94	-45.17
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300010898767	0	38	-1.0	-47.64	314.03	5.74	-41.90
COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1OC	REAL300010898768	0	37	-1.0	-51.94	320.57	3.30	-48.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)C1	REAL300010898769	0	38	-1.0	-58.23	330.77	0.71	-57.52
N#CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010898770	0	30	-1.0	-50.88	303.23	4.34	-46.54
COC1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1OC	REAL300010898771	0	37	-1.0	-52.46	320.33	3.72	-48.74
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898772	0	31	-2.0	-98.40	317.65	2.59	-95.81
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898772	1	32	-1.0	-49.13	321.09	2.88	-46.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010898773	0	26	-1.0	-47.58	283.41	3.66	-43.92
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300010898774	0	42	-1.0	-51.69	352.15	4.37	-47.32
N#CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2S1	REAL300010898775	0	33	-1.0	-52.17	310.57	5.19	-46.98
O=C([O-])C1=CC=C(F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898776	0	31	-2.0	-96.81	288.82	3.82	-92.99
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300010898777	0	33	-1.0	-51.08	301.74	3.06	-48.02
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)C1	REAL300010898778	0	33	-1.0	-53.97	318.38	4.05	-49.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010898779	0	32	-1.0	-52.44	291.11	2.66	-49.78
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)C1	REAL300010898779	1	31	-2.0	-115.24	288.13	2.43	-112.81
CN1N=NC2=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=CC=C21	REAL300010898780	0	34	-1.0	-59.61	307.39	1.88	-57.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300010898781	0	29	-2.0	-90.24	302.30	3.02	-87.22
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1Br	REAL300010898782	0	35	-1.0	-47.93	316.73	5.56	-42.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300010898783	0	35	-1.0	-49.44	331.46	4.60	-44.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C3C=COC3=C(F)C=C2)C1	REAL300010898784	0	32	-1.0	-50.67	296.27	3.87	-46.80
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300010898785	0	39	-1.0	-51.49	335.11	3.85	-47.64
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898786	0	47	-1.0	-48.30	372.72	7.37	-40.93
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300010898787	0	35	-1.0	-48.92	333.68	5.37	-43.55
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300010898788	0	39	-1.0	-51.60	336.61	4.13	-47.47
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300010898789	0	33	-1.0	-49.08	292.61	4.36	-44.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300010898790	0	40	-1.0	-50.65	361.77	6.27	-44.38
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898791	0	42	-1.0	-55.08	352.25	1.90	-53.18
COC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300010898792	0	38	-1.0	-60.17	325.95	4.88	-55.29
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898793	0	35	-1.0	-52.24	313.97	1.53	-50.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300010898794	0	33	-1.0	-49.01	318.98	4.83	-44.18
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300010898795	0	41	-1.0	-52.23	363.25	6.34	-45.89
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)C1	REAL300010898796	0	38	-1.0	-52.35	351.77	6.05	-46.30
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898797	0	38	-1.0	-48.59	308.23	3.20	-45.39
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898798	0	38	-1.0	-51.20	327.77	3.18	-48.02
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300010898799	0	34	-1.0	-49.16	313.67	3.26	-45.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300010898800	0	32	-1.0	-47.60	307.89	4.52	-43.08
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)C1	REAL300010898801	0	29	-1.0	-49.31	284.10	3.97	-45.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)C1	REAL300010898802	0	29	-1.0	-48.47	294.83	3.57	-44.90
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898803	0	39	-1.0	-54.22	344.90	2.47	-51.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898804	0	26	-1.0	-48.27	266.91	2.22	-46.05
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010898804	1	25	-2.0	-102.59	263.04	1.94	-100.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)C1	REAL300010898805	0	32	-1.0	-47.99	314.36	4.91	-43.08
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C(F)F)C1	REAL300010898806	0	32	-1.0	-53.92	283.05	4.92	-49.00
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898807	0	40	-1.0	-55.83	347.30	5.49	-50.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300010898808	0	40	-1.0	-49.79	332.86	6.51	-43.28
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898809	0	39	-1.0	-56.54	342.72	5.18	-51.36
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300010898810	0	35	-1.0	-49.55	325.75	4.50	-45.05
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898811	0	34	-1.0	-50.99	321.71	3.96	-47.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300010898812	0	36	-1.0	-54.06	315.61	1.82	-52.24
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898813	0	39	-1.0	-49.54	358.89	4.22	-45.32
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=CC=C2Cl)C1	REAL300010898814	0	29	-1.0	-48.37	297.32	4.67	-43.70
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300010898815	0	29	-1.0	-50.14	282.49	3.84	-46.30
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)C1	REAL300010898816	0	32	-1.0	-48.59	291.51	5.02	-43.57
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898817	0	35	-1.0	-48.98	328.69	3.85	-45.13
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C3CC3)C=C2F)C1	REAL300010898818	0	36	-1.0	-49.79	309.59	5.36	-44.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)C1	REAL300010898819	0	31	-1.0	-47.47	316.91	3.72	-43.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300010898820	0	39	-1.0	-47.82	323.78	3.98	-43.84
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898821	0	38	-1.0	-47.84	317.10	3.10	-44.74
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898822	0	38	-1.0	-55.36	333.72	1.01	-54.35
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898823	0	32	-1.0	-54.40	316.48	-0.02	-54.42
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898824	0	38	-1.0	-55.36	333.72	1.01	-54.35
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300010898825	0	32	-1.0	-50.98	285.10	4.95	-46.03
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898826	0	41	-1.0	-54.34	352.22	7.27	-47.07
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898827	0	43	-1.0	-47.32	328.55	4.27	-43.05
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010898828	0	29	-1.0	-48.85	286.31	2.72	-46.13
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)C1	REAL300010898828	1	28	-2.0	-101.40	282.52	2.43	-98.97
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898829	0	33	-1.0	-48.21	303.88	3.37	-44.84
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300010898830	0	43	-1.0	-52.00	361.81	2.61	-49.39
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898831	0	35	-1.0	-49.06	315.72	5.03	-44.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300010898832	0	33	-1.0	-51.37	302.00	3.03	-48.34
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300010898833	0	44	-1.0	-49.64	355.65	6.02	-43.62
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010898834	0	40	-1.0	-55.23	333.88	5.84	-49.39
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300010898835	0	37	-1.0	-48.59	318.09	3.61	-44.98
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898836	0	39	-1.0	-50.90	339.60	4.14	-46.76
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898837	0	38	-1.0	-52.75	341.97	5.65	-47.10
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010898838	0	32	-1.0	-49.41	321.73	5.51	-43.90
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898839	0	39	-1.0	-50.54	339.09	4.67	-45.87
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300010898840	0	42	-1.0	-51.01	349.61	4.42	-46.59
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010898841	0	32	-1.0	-48.73	313.35	5.16	-43.57
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)C1	REAL300010898841	1	31	-2.0	-109.86	317.07	5.22	-104.64
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300010898842	0	40	-1.0	-50.54	353.05	6.37	-44.17
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898843	0	41	-1.0	-52.70	351.50	6.22	-46.48
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300010898844	0	35	-1.0	-47.60	320.21	5.24	-42.36
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010898845	0	34	-1.0	-50.28	321.17	4.84	-45.44
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)C1	REAL300010898845	1	33	-2.0	-109.65	321.79	4.73	-104.92
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=C(Cl)SC=N2)C1	REAL300010898846	0	28	-1.0	-51.74	286.59	1.74	-50.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC3=NON=C3C=C2)C1	REAL300010898847	0	33	-1.0	-53.00	301.54	2.97	-50.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010898848	0	35	-1.0	-47.95	332.24	4.42	-43.53
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)C1	REAL300010898848	1	34	-2.0	-102.49	331.00	4.79	-97.70
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C(F)C(Cl)=C2)C1	REAL300010898849	0	28	-1.0	-47.95	280.46	2.10	-45.85
N#CC1(OCCS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCOCC1	REAL300010898850	0	41	-1.0	-54.85	346.74	1.17	-53.68
CCN1N=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Cl	REAL300010898851	0	32	-1.0	-48.64	304.14	2.41	-46.23
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=CC=C2Br)C1	REAL300010898852	0	33	-1.0	-49.86	312.61	5.20	-44.66
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1)=C2	REAL300010898853	0	35	-1.0	-49.52	347.60	4.72	-44.80
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)C1	REAL300010898854	0	28	-2.0	-106.16	288.47	4.12	-102.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898855	0	31	-1.0	-50.93	304.25	2.74	-48.19
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898855	1	30	-2.0	-100.38	300.02	2.48	-97.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)C1	REAL300010898856	0	34	-1.0	-54.79	318.93	4.67	-50.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)C1	REAL300010898857	0	34	-1.0	-55.09	316.38	4.47	-50.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898858	0	31	-1.0	-50.93	304.25	2.74	-48.19
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)C1	REAL300010898858	1	30	-2.0	-100.38	300.02	2.48	-97.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300010898859	0	32	-1.0	-49.41	321.73	5.51	-43.90
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300010898860	0	38	-1.0	-51.98	321.90	6.36	-45.62
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898861	0	33	-1.0	-51.52	312.76	4.51	-47.01
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898861	1	32	-2.0	-115.81	310.49	4.23	-111.58
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OCCF)C=C2)C1	REAL300010898862	0	36	-1.0	-50.98	320.39	3.86	-47.12
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898863	0	43	-1.0	-51.23	366.65	4.98	-46.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010898864	0	29	-1.0	-49.31	290.39	4.09	-45.22
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)C1	REAL300010898864	1	28	-2.0	-103.82	286.19	3.82	-100.00
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)O1	REAL300010898865	0	35	-1.0	-59.65	326.94	-0.23	-59.88
CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300010898866	0	39	-1.0	-54.17	337.89	4.96	-49.21
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)C1	REAL300010898867	0	35	-1.0	-51.72	333.90	0.89	-50.83
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300010898868	0	33	-1.0	-48.90	315.66	5.29	-43.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300010898869	0	33	-1.0	-50.02	316.42	5.27	-44.75
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300010898870	0	34	-1.0	-59.81	305.86	-2.61	-62.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300010898871	0	31	-1.0	-51.66	293.42	2.89	-48.77
CC1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010898872	0	38	-1.0	-53.01	335.31	2.68	-50.33
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300010898872	1	37	-2.0	-113.76	333.41	2.39	-111.37
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300010898873	0	46	-1.0	-50.60	339.68	6.33	-44.27
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898874	0	37	-1.0	-62.44	333.14	0.25	-62.19
CC1(C)CCC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)OC1	REAL300010898875	0	42	-1.0	-52.74	337.45	3.59	-49.15
CCOC(=O)C1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C2C=CC=CN12	REAL300010898876	0	41	-1.0	-57.04	363.40	5.20	-51.84
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300010898877	0	33	-1.0	-56.71	310.64	2.49	-54.22
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2C=C1	REAL300010898878	0	38	-1.0	-55.11	344.75	5.35	-49.76
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300010898879	0	39	-1.0	-54.05	344.60	6.31	-47.74
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300010898880	0	38	-1.0	-56.00	317.41	0.88	-55.12
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898881	0	38	-1.0	-56.91	335.63	4.33	-52.58
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300010898882	0	42	-1.0	-49.02	330.15	5.48	-43.54
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300010898883	0	33	-1.0	-49.19	307.04	4.78	-44.41
COC(=O)C1CCCCN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898884	0	40	-1.0	-52.08	323.32	4.07	-48.01
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C21	REAL300010898885	0	51	-1.0	-48.57	392.11	7.66	-40.91
N#CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010898886	0	32	-1.0	-54.73	308.16	4.26	-50.47
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898887	0	40	-1.0	-50.00	338.16	4.53	-45.47
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=NN1	REAL300010898888	0	35	-1.0	-50.46	322.82	1.28	-49.18
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898888	1	34	-2.0	-92.19	319.92	1.13	-91.06
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=N[N-]1	REAL300010898888	1	34	-2.0	-92.17	320.03	1.13	-91.04
COC1=CSC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1OC	REAL300010898889	0	34	-1.0	-49.91	313.10	2.22	-47.69
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898890	0	31	-2.0	-99.42	312.92	2.50	-96.92
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898890	1	32	-1.0	-49.72	317.79	2.75	-46.97
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300010898891	0	41	-1.0	-48.45	321.00	3.86	-44.59
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898892	0	40	-1.0	-49.99	340.31	5.26	-44.73
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898893	0	33	-1.0	-49.69	310.50	4.52	-45.17
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898893	1	32	-2.0	-109.81	309.31	4.46	-105.35
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300010898894	0	33	-1.0	-52.56	307.91	3.74	-48.82
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898895	0	33	-1.0	-49.48	299.22	3.03	-46.45
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)C(F)=C1	REAL300010898895	1	32	-2.0	-110.63	296.68	2.80	-107.83
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300010898896	0	33	-1.0	-51.30	307.93	3.14	-48.16
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898897	0	35	-1.0	-50.59	305.61	3.42	-47.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)C1	REAL300010898898	0	32	-1.0	-52.41	292.76	4.99	-47.42
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300010898899	0	38	-1.0	-50.67	341.41	3.97	-46.70
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010898900	0	26	-1.0	-45.64	287.53	3.59	-42.05
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)C1	REAL300010898900	1	25	-2.0	-97.11	283.81	3.32	-93.79
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898901	0	42	-1.0	-52.21	354.60	5.86	-46.35
CC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010898902	0	46	-1.0	-51.02	380.81	5.41	-45.61
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)C1	REAL300010898903	0	32	-1.0	-49.58	317.08	4.86	-44.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)C1	REAL300010898904	0	34	-1.0	-51.18	313.94	4.13	-47.05
COC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898905	0	37	-1.0	-55.24	314.64	3.21	-52.03
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(I)C=CS2)C1	REAL300010898906	0	26	-1.0	-46.84	271.41	3.34	-43.50
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(I)C=CS2)C1	REAL300010898906	1	25	-2.0	-104.21	277.15	3.24	-100.97
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300010898907	0	40	-1.0	-51.98	353.08	6.36	-45.62
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898908	0	35	-1.0	-53.11	297.54	5.39	-47.72
COC(=O)C1=CNN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898909	0	32	-1.0	-57.34	290.02	0.97	-56.37
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898909	1	31	-2.0	-120.61	289.39	0.89	-119.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)C1	REAL300010898910	0	34	-1.0	-52.73	317.37	2.08	-50.65
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300010898911	0	30	-1.0	-51.57	304.36	2.27	-49.30
CC1=CC(Cl)=NC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898912	0	31	-1.0	-48.76	290.36	2.97	-45.79
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898913	0	40	-1.0	-51.22	346.42	5.08	-46.14
CCN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300010898914	0	39	-1.0	-52.14	342.00	4.20	-47.94
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300010898915	0	33	-1.0	-53.31	300.71	2.84	-50.47
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300010898916	0	35	-1.0	-49.39	325.21	6.21	-43.18
CC(=O)OC1CCN(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300010898917	0	37	-1.0	-52.36	320.94	2.56	-49.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300010898918	0	39	-1.0	-49.37	353.60	7.38	-41.99
COC(=O)C1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010898919	0	32	-1.0	-49.27	318.05	4.51	-44.76
CCC1=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010898920	0	35	-1.0	-48.03	321.76	5.33	-42.70
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898921	0	42	-1.0	-48.79	350.05	4.66	-44.13
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898922	0	43	-1.0	-51.27	367.33	3.77	-47.50
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300010898923	0	35	-1.0	-50.27	321.32	6.33	-43.94
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898924	0	37	-1.0	-49.80	310.79	1.06	-48.74
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)C1	REAL300010898925	0	35	-1.0	-50.81	327.58	3.27	-47.54
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898926	0	43	-1.0	-58.10	369.39	3.65	-54.45
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300010898927	0	44	-1.0	-50.11	364.34	3.87	-46.24
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898928	0	32	-1.0	-49.14	305.60	1.14	-48.00
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898929	0	35	-1.0	-49.14	309.79	0.91	-48.23
CC(C)CN1C=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300010898930	0	38	-1.0	-51.15	325.39	3.65	-47.50
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898931	0	38	-1.0	-51.22	329.07	3.15	-48.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300010898932	0	28	-1.0	-50.80	289.86	1.49	-49.31
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300010898933	0	39	-1.0	-50.12	325.33	1.24	-48.88
COCC1=CC(CS(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=NO1	REAL300010898934	0	35	-1.0	-55.50	317.01	1.33	-54.17
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)C1	REAL300010898935	0	32	-1.0	-57.89	312.75	3.28	-54.61
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010898936	0	26	-2.0	-106.63	271.66	1.03	-105.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=C(Br)C=N2)C1	REAL300010898936	1	27	-1.0	-49.69	276.32	1.27	-48.42
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898937	0	33	-1.0	-56.17	310.87	1.53	-54.64
CC1=C(C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C(C)S1	REAL300010898938	0	35	-1.0	-46.85	300.71	4.78	-42.07
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(I)S2)C1	REAL300010898939	0	26	-1.0	-47.58	283.41	3.66	-43.92
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898940	0	33	-1.0	-48.60	303.87	3.98	-44.62
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)C1	REAL300010898941	0	31	-1.0	-49.21	295.45	2.69	-46.52
COC1=NC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1Cl	REAL300010898942	0	32	-1.0	-50.34	302.63	0.80	-49.54
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898943	0	38	-1.0	-53.94	338.25	2.23	-51.71
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)S1	REAL300010898943	1	37	-2.0	-94.69	341.07	1.41	-93.28
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898944	0	36	-1.0	-58.40	324.12	1.32	-57.08
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)C1	REAL300010898945	0	33	-1.0	-48.38	325.40	5.61	-42.77
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300010898946	0	34	-1.0	-49.54	313.34	5.62	-43.92
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010898947	0	27	-2.0	-110.83	280.58	1.97	-108.86
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=CC(Br)=C2F)C1	REAL300010898947	1	28	-1.0	-51.56	284.11	2.33	-49.23
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)N=C1	REAL300010898948	0	40	-1.0	-50.32	334.87	3.89	-46.43
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300010898949	0	37	-1.0	-51.73	319.52	4.75	-46.98
COC(=O)C1=NC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C	REAL300010898950	0	37	-1.0	-50.36	329.25	2.86	-47.50
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898951	0	32	-1.0	-54.98	301.35	5.35	-49.63
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300010898952	0	36	-1.0	-51.73	313.73	4.77	-46.96
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300010898953	0	31	-1.0	-52.19	293.36	2.50	-49.69
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300010898954	0	38	-1.0	-51.94	327.86	3.21	-48.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)C1	REAL300010898955	0	36	-1.0	-52.83	324.22	5.68	-47.15
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=CC(C(F)F)=C2)C1	REAL300010898956	0	31	-1.0	-51.72	291.68	2.61	-49.11
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=C1NCCC2	REAL300010898957	0	41	-1.0	-49.75	333.33	4.37	-45.38
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300010898958	0	43	-1.0	-49.61	371.38	7.03	-42.58
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)C1	REAL300010898959	0	36	-1.0	-51.48	322.33	5.69	-45.79
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CSC=C2Br)C1	REAL300010898960	0	26	-1.0	-48.77	272.64	3.04	-45.73
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)C1	REAL300010898961	0	33	-1.0	-51.83	312.93	3.95	-47.88
CC1=CC(Br)=NC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898962	0	31	-1.0	-48.76	294.96	3.05	-45.71
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300010898963	0	34	-1.0	-53.04	299.07	3.99	-49.05
CC1=CC=C(I)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898964	0	32	-1.0	-48.70	306.46	5.36	-43.34
COC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898965	0	38	-1.0	-52.96	329.18	5.53	-47.43
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300010898966	0	40	-1.0	-50.75	346.69	7.61	-43.14
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)C1	REAL300010898967	0	32	-1.0	-52.95	302.55	4.46	-48.49
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CN=CC(Br)=C2)C1	REAL300010898968	0	28	-1.0	-48.21	279.16	2.26	-45.95
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010898969	0	31	-1.0	-53.22	285.96	2.91	-50.31
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)C1	REAL300010898969	1	30	-2.0	-113.70	282.02	2.80	-110.90
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300010898970	0	32	-1.0	-48.62	293.84	3.14	-45.48
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898971	0	37	-1.0	-58.03	318.47	-0.77	-58.80
CC1=NC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300010898972	0	31	-1.0	-49.96	298.89	2.71	-47.25
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010898973	0	27	-2.0	-104.49	286.72	2.62	-101.87
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=C(Cl)C=C2Br)C1	REAL300010898973	1	28	-1.0	-47.81	285.75	2.70	-45.11
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)C1	REAL300010898974	0	33	-1.0	-50.47	307.34	2.62	-47.85
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)C1	REAL300010898975	0	33	-1.0	-50.18	311.94	5.17	-45.01
CP(C)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898976	0	38	-1.0	-57.29	342.88	3.03	-54.26
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)C1	REAL300010898977	0	36	-1.0	-51.44	318.01	5.86	-45.58
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(Cl)=C1Cl	REAL300010898978	0	32	-1.0	-49.42	309.86	5.12	-44.30
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300010898979	0	33	-1.0	-47.34	306.28	3.04	-44.30
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300010898980	0	36	-1.0	-52.75	312.09	4.19	-48.56
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1C(=O)OC	REAL300010898981	0	42	-1.0	-53.53	366.66	5.07	-48.46
COC(=O)C1CC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C1	REAL300010898982	0	42	-1.0	-53.81	362.04	5.98	-47.83
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898983	0	35	-1.0	-48.92	328.35	1.63	-47.29
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898984	0	35	-1.0	-48.45	329.09	5.53	-42.92
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898984	1	34	-2.0	-107.17	328.27	5.33	-101.84
COC(=O)C1=CC=NC=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898985	0	34	-1.0	-53.15	302.87	3.18	-49.97
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898986	0	35	-1.0	-56.59	311.54	5.11	-51.48
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	REAL300010898986	1	34	-2.0	-123.51	308.04	4.91	-118.60
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300010898987	0	34	-1.0	-50.75	299.07	3.94	-46.81
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=CC=C2I)C1	REAL300010898988	0	29	-1.0	-49.38	284.49	4.74	-44.64
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898989	0	35	-1.0	-55.27	308.15	2.78	-52.49
COC(=O)C1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300010898990	0	40	-1.0	-52.86	359.07	4.51	-48.35
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300010898991	0	37	-1.0	-54.53	311.96	5.22	-49.31
O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010898992	0	24	-2.0	-97.35	262.65	1.63	-95.72
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(Br)C=NS2)C1	REAL300010898992	1	25	-1.0	-46.74	269.16	1.64	-45.10
NC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898993	0	31	-1.0	-48.90	298.85	2.00	-46.90
CC1=CC(Cl)=CN=C1S(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300010898994	0	31	-1.0	-49.37	289.17	3.02	-46.35
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=NC=CC=C2C(F)F)C1	REAL300010898995	0	31	-1.0	-51.39	279.17	2.49	-48.90
CC1=C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C(Cl)S1	REAL300010898996	0	29	-1.0	-46.93	288.21	3.93	-43.00
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300010898997	0	31	-1.0	-52.72	291.68	2.47	-50.25
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C1	REAL300010898998	0	36	-1.0	-52.32	334.84	4.44	-47.88
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300010898999	0	42	-1.0	-50.27	352.46	5.47	-44.80
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)C1	REAL300010899000	0	33	-2.0	-96.44	309.34	3.48	-92.96
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)C1	REAL300010899000	1	34	-1.0	-51.98	310.16	2.68	-49.30
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1F	REAL300010901248	0	35	-1.0	-45.09	290.08	2.73	-42.36
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010901249	0	35	-1.0	-48.85	302.32	3.02	-45.83
COC(=O)C1CCCCC1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901250	0	40	-1.0	-47.40	310.06	4.20	-43.20
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901251	0	43	-1.0	-44.78	333.27	3.34	-41.44
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901252	0	36	-1.0	-48.00	310.98	4.67	-43.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901253	0	36	-1.0	-44.71	299.19	4.56	-40.15
CC(C)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010901254	0	33	-1.0	-46.41	297.89	3.03	-43.38
CC(C)(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010901255	0	25	-1.0	-41.17	243.91	1.48	-39.69
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010901255	1	24	-2.0	-111.30	247.89	1.49	-109.81
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901256	0	32	-1.0	-43.18	288.72	2.40	-40.78
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1C	REAL300010901257	0	38	-1.0	-48.10	320.81	3.52	-44.58
CC(C)(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010901258	0	41	-1.0	-52.20	350.35	3.66	-48.54
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300010901259	0	35	-1.0	-43.69	299.14	0.07	-43.62
CC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010901260	0	40	-1.0	-46.60	321.26	3.86	-42.74
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010901261	0	35	-1.0	-47.69	305.55	3.77	-43.92
CSC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901262	0	32	-1.0	-43.20	293.16	3.95	-39.25
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901263	0	30	-1.0	-43.84	276.73	2.80	-41.04
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901264	0	38	-1.0	-43.04	321.41	-0.77	-43.81
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C1Cl	REAL300010901265	0	31	-1.0	-42.13	279.92	0.45	-41.68
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901266	0	37	-1.0	-46.46	312.91	3.39	-43.07
CC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010901267	0	43	-1.0	-47.00	351.13	2.88	-44.12
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901268	0	46	0.0	-71.54	356.96	3.52	-68.02
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901269	0	31	-1.0	-41.53	277.38	4.05	-37.48
CC(C)(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010901270	0	32	-1.0	-55.43	278.14	2.56	-52.87
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901271	0	34	-1.0	-43.23	316.30	4.02	-39.21
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901271	1	33	-2.0	-113.12	320.41	4.19	-108.93
CC(C)(NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901272	0	28	-1.0	-39.57	288.50	4.18	-35.39
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901272	1	27	-2.0	-107.43	292.75	4.41	-103.02
CC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010901273	0	28	-1.0	-44.45	267.27	3.29	-41.16
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901274	0	36	-1.0	-52.83	292.61	2.95	-49.88
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300010901275	0	55	-1.0	-44.50	428.00	6.89	-37.61
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010901276	0	37	-1.0	-44.26	298.13	3.83	-40.43
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901277	0	42	-1.0	-49.16	362.66	3.57	-45.59
CC(C)(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010901278	0	29	-1.0	-44.45	272.80	3.48	-40.97
CC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010901279	0	31	-1.0	-49.68	281.77	1.54	-48.14
CC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010901280	0	43	-1.0	-48.07	341.55	3.45	-44.62
CC(C)(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010901281	0	34	-1.0	-43.49	305.24	5.32	-38.17
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])S1	REAL300010901282	0	30	-2.0	-107.16	311.70	3.12	-104.04
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901282	1	31	-1.0	-39.50	303.35	2.77	-36.73
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901283	0	36	-1.0	-47.54	304.73	0.66	-46.88
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901285	0	31	-1.0	-40.50	294.12	3.97	-36.53
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901286	0	39	-1.0	-48.66	297.67	-0.07	-48.73
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901287	0	33	-1.0	-40.28	298.90	4.43	-35.85
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010901288	0	34	-1.0	-42.46	301.77	3.28	-39.18
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010901289	0	38	-1.0	-44.89	329.74	1.87	-43.02
CC(C)(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010901290	0	39	-1.0	-50.46	336.84	4.29	-46.17
COC1=CC=C(CCS(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901291	0	38	-1.0	-41.57	313.12	3.48	-38.09
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300010901292	0	46	-1.0	-48.71	382.29	5.17	-43.54
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010901293	0	43	-1.0	-48.39	363.64	3.86	-44.53
CC(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010901294	0	39	-1.0	-46.38	319.90	3.92	-42.46
CC1=CC=NC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C12	REAL300010901295	0	36	-1.0	-54.58	298.31	3.74	-50.84
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(OC)C=C1Br	REAL300010901296	0	36	-1.0	-45.35	318.69	2.31	-43.04
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010901297	0	31	-1.0	-43.83	284.83	3.63	-40.20
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901298	0	31	-1.0	-42.18	281.38	3.74	-38.44
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300010901299	0	35	-1.0	-47.40	311.31	2.09	-45.31
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901300	0	39	-1.0	-59.32	319.40	2.46	-56.86
CC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010901301	0	40	-1.0	-53.02	329.82	2.46	-50.56
CC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010901302	0	34	-1.0	-44.43	319.11	0.60	-43.83
CC(C)(NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010901303	0	28	-1.0	-42.69	286.67	4.12	-38.57
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl)C(=O)[O-]	REAL300010901303	1	27	-2.0	-109.63	291.22	4.36	-105.27
CC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010901304	0	36	-1.0	-44.13	307.12	3.64	-40.49
CC(C)(NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010901305	0	31	-1.0	-43.46	285.11	3.86	-39.60
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300010901306	0	38	-1.0	-47.28	323.22	3.04	-44.24
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=CS1	REAL300010901307	0	34	-1.0	-52.16	291.79	3.69	-48.47
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901308	0	39	-1.0	-50.69	330.42	2.72	-47.97
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901309	0	42	-1.0	-48.94	356.43	3.76	-45.18
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010901310	0	42	-1.0	-46.73	354.50	5.83	-40.90
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901311	0	36	-1.0	-48.99	311.01	4.66	-44.33
CC(C)(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010901312	0	28	-1.0	-41.02	281.99	3.71	-37.31
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010901312	1	27	-2.0	-110.68	285.13	3.90	-106.78
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901313	0	40	0.0	-72.27	317.02	4.38	-67.89
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C2O1	REAL300010901314	0	43	-1.0	-44.25	361.75	5.15	-39.10
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901315	0	40	-1.0	-45.56	330.96	4.88	-40.68
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010901316	0	28	-1.0	-43.56	274.13	3.64	-39.92
CC(C)([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010901316	1	27	-2.0	-109.63	278.68	3.88	-105.75
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010901317	0	36	-1.0	-51.40	293.27	5.68	-45.72
CC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010901318	0	34	-1.0	-45.31	299.67	4.26	-41.05
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901319	0	38	-1.0	-38.38	326.61	5.46	-32.92
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901320	0	31	-1.0	-39.47	281.50	4.00	-35.47
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010901321	0	36	-1.0	-43.56	298.97	4.52	-39.04
CC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010901322	0	28	-1.0	-45.67	270.55	3.72	-41.95
CC(C)(NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901323	0	30	-1.0	-44.96	286.38	4.75	-40.21
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901323	1	29	-2.0	-113.07	288.24	4.92	-108.15
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010901324	0	28	-1.0	-40.65	273.51	3.52	-37.13
CC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010901325	0	39	-1.0	-44.04	334.42	2.20	-41.84
CC(C)([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010901326	0	27	-2.0	-114.16	264.59	3.17	-110.99
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901327	0	38	-1.0	-48.31	301.24	4.39	-43.92
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901328	0	34	-1.0	-44.52	296.70	3.15	-41.37
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901329	0	32	-1.0	-45.87	285.44	2.80	-43.07
CC(C)(NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901330	0	29	-1.0	-46.12	265.41	1.35	-44.77
CC(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010901331	0	41	-1.0	-40.92	327.09	5.98	-34.94
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)C(=O)[O-])=NO1	REAL300010901332	0	39	-1.0	-43.18	320.14	3.40	-39.78
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C12	REAL300010901333	0	42	-1.0	-46.57	333.07	4.69	-41.88
COC(=O)C1=CN=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901334	0	33	-1.0	-45.48	288.97	1.25	-44.23
CC(C)(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010901335	0	29	-1.0	-41.76	278.48	3.37	-38.39
CC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901336	0	30	-1.0	-39.25	293.14	4.14	-35.11
CC(C)([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901336	1	29	-2.0	-104.57	297.31	4.38	-100.19
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901337	0	35	-1.0	-42.42	300.52	3.17	-39.25
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901338	0	34	-1.0	-39.84	314.19	3.21	-36.63
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OC	REAL300010901339	0	36	-1.0	-44.63	310.77	2.31	-42.32
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010901340	0	32	-1.0	-44.33	282.85	2.10	-42.23
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010901341	0	31	-1.0	-40.38	282.95	3.53	-36.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901342	0	39	-1.0	-49.02	329.39	-0.58	-49.60
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C2S1	REAL300010901343	0	40	-1.0	-45.88	352.66	5.52	-40.36
CC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010901344	0	34	-1.0	-50.00	298.95	2.37	-47.63
CC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010901345	0	33	-1.0	-52.91	295.91	-1.93	-54.84
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300010901346	0	34	-1.0	-47.42	300.72	3.33	-44.09
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901347	0	36	-1.0	-50.20	315.03	4.36	-45.84
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010901348	0	32	-1.0	-45.62	285.95	2.66	-42.96
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)C(=O)[O-])OCO2	REAL300010901349	0	34	-1.0	-43.00	280.47	1.96	-41.04
CC(C)(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010901350	0	34	-1.0	-42.79	305.06	3.60	-39.19
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901351	0	34	-1.0	-49.81	290.79	3.79	-46.02
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901352	0	28	-1.0	-42.90	269.88	3.70	-39.20
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010901353	0	28	-1.0	-42.26	272.10	3.76	-38.50
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)C(=O)[O-])OCC(=O)N2	REAL300010901354	0	38	-1.0	-48.09	319.21	-0.41	-48.50
CC(C)([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010901355	0	29	-2.0	-108.32	293.40	3.99	-104.33
CC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010901355	1	30	-1.0	-40.42	290.49	3.80	-36.62
CC(C)(NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010901356	0	30	-1.0	-40.06	286.54	3.69	-36.37
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010901356	1	29	-2.0	-104.39	289.67	3.87	-100.52
CC(C)(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010901357	0	28	-1.0	-41.71	267.42	3.77	-37.94
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010901357	1	27	-2.0	-109.16	273.53	4.16	-105.00
CC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010901358	0	29	-1.0	-51.89	265.19	0.93	-50.96
CC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br)C(=O)[O-]	REAL300010901359	0	31	-1.0	-42.68	295.15	4.35	-38.33
CC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010901360	0	28	-1.0	-47.77	266.51	3.22	-44.55
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OC	REAL300010901361	0	38	-1.0	-46.34	320.09	3.19	-43.15
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010901362	0	28	-1.0	-42.60	273.22	3.86	-38.74
CC(=O)NC1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901363	0	31	-1.0	-51.50	282.44	-0.08	-51.58
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901363	1	30	-2.0	-90.93	279.10	-1.21	-92.14
CC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010901364	0	31	-1.0	-40.22	283.41	4.01	-36.21
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010901365	0	32	-1.0	-49.16	289.21	-0.24	-49.40
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901366	0	37	-1.0	-54.12	304.68	4.90	-49.22
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901367	0	36	-1.0	-52.67	298.69	0.94	-51.73
CC(C)(NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010901368	0	32	-1.0	-48.95	293.77	-0.13	-49.08
CC(C)(NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300010901369	0	39	-1.0	-51.66	318.23	3.84	-47.82
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010901370	0	32	-1.0	-43.92	294.04	3.63	-40.29
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901371	0	35	-1.0	-46.43	309.98	3.27	-43.16
CC(C)(NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21)C(=O)[O-]	REAL300010901372	0	31	-1.0	-44.63	298.32	4.24	-40.39
CC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010901373	0	29	-1.0	-52.33	277.88	3.41	-48.92
CC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010901374	0	29	-1.0	-47.97	278.79	3.47	-44.50
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901375	0	34	-1.0	-41.40	294.84	4.43	-36.97
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901376	0	45	-1.0	-51.36	375.50	2.19	-49.17
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010901377	0	34	-1.0	-49.15	300.61	4.12	-45.03
COCCOCCOCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901378	0	42	-1.0	-46.46	346.84	0.00	-46.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901379	0	38	-1.0	-53.51	329.40	-0.20	-53.71
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010901380	0	27	-2.0	-118.19	265.85	3.63	-114.56
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010901380	1	28	-1.0	-45.81	259.89	3.32	-42.49
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2CC1	REAL300010901381	0	45	-1.0	-48.64	351.10	4.40	-44.24
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010901382	0	37	-1.0	-44.06	322.92	3.94	-40.12
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300010901383	0	38	-1.0	-46.34	333.10	4.14	-42.20
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901384	0	37	-1.0	-45.37	316.42	5.30	-40.07
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901385	0	37	-1.0	-44.94	312.25	5.01	-39.93
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901386	0	38	-1.0	-50.36	318.99	1.58	-48.78
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901387	0	42	-1.0	-52.40	352.76	3.99	-48.41
CC(C)(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010901388	0	41	-1.0	-39.84	339.14	4.24	-35.60
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010901389	0	37	-1.0	-42.33	335.02	4.62	-37.71
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010901389	1	36	-2.0	-111.62	338.16	4.81	-106.81
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010901390	0	30	-1.0	-46.31	283.22	4.23	-42.08
CC(C)([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010901390	1	29	-2.0	-113.15	291.05	4.62	-108.53
CC(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010901391	0	37	-1.0	-51.77	299.90	-0.25	-52.02
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901392	0	35	-2.0	-114.92	310.87	4.26	-110.66
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300010901393	0	39	-1.0	-50.81	334.74	2.31	-48.50
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010901394	0	40	-1.0	-44.44	338.41	4.76	-39.68
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901395	0	42	-1.0	-54.78	348.68	0.62	-54.16
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901396	0	39	-1.0	-49.20	323.98	1.98	-47.22
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901397	0	41	-1.0	-49.43	345.25	3.89	-45.54
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1C	REAL300010901398	0	40	-1.0	-45.24	328.95	4.52	-40.72
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901399	0	40	-1.0	-48.90	337.54	4.82	-44.08
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901400	0	34	-1.0	-47.44	309.57	5.02	-42.42
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901400	1	33	-2.0	-121.20	316.82	5.44	-115.76
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010901401	0	31	-1.0	-44.42	280.44	4.56	-39.86
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901402	0	44	-1.0	-38.34	339.74	3.99	-34.35
CC(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010901403	0	34	-1.0	-39.62	300.25	4.68	-34.94
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901404	0	37	-1.0	-47.20	322.55	4.22	-42.98
CC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010901405	0	38	-1.0	-47.28	312.15	5.89	-41.39
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901406	0	42	-1.0	-47.79	358.02	0.26	-47.53
CC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010901407	0	31	-1.0	-46.05	279.44	3.84	-42.21
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1C	REAL300010901408	0	40	-1.0	-46.59	339.79	3.71	-42.88
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010901409	0	34	-1.0	-48.71	307.89	0.37	-48.34
CC(C)(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010901410	0	32	-1.0	-48.21	285.73	3.27	-44.94
CC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010901411	0	31	-1.0	-49.97	281.92	2.38	-47.59
CC1=NC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(Br)N1C	REAL300010901411	1	30	-2.0	-126.34	284.98	2.25	-124.09
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901412	0	41	-1.0	-55.46	329.93	3.32	-52.14
CC(C)(NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010901413	0	45	-1.0	-54.24	383.26	3.09	-51.15
CC(C)(NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010901414	0	29	-1.0	-41.44	286.35	3.53	-37.91
CC(C)([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010901414	1	28	-2.0	-107.68	289.48	3.74	-103.94
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901415	0	39	-1.0	-50.93	339.90	1.84	-49.09
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010901416	0	43	-1.0	-45.70	350.72	5.27	-40.43
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901417	0	40	-1.0	-50.32	342.53	1.68	-48.64
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901418	0	39	-1.0	-41.60	359.34	3.19	-38.41
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010901419	0	33	-1.0	-47.21	284.98	-0.33	-47.54
COC(=O)C1(CS(=O)(=O)NC(C)(C)C(=O)[O-])CCCC1	REAL300010901420	0	40	-1.0	-45.07	308.22	4.21	-40.86
CC(C)(NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010901421	0	27	-1.0	-39.59	270.38	1.68	-37.91
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901422	0	35	-1.0	-42.75	310.66	2.69	-40.06
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901423	0	37	-1.0	-44.19	326.94	5.04	-39.15
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010901424	0	34	-1.0	-41.82	291.81	3.95	-37.87
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010901425	0	39	-1.0	-43.41	344.95	5.87	-37.54
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901426	0	37	-1.0	-49.03	315.66	3.91	-45.12
CC(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010901427	0	30	-1.0	-52.41	271.76	2.00	-50.41
CC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010901428	0	34	-1.0	-45.90	301.36	4.64	-41.26
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010901429	0	28	-1.0	-40.44	269.98	2.62	-37.82
CC(C)(NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010901430	0	32	-1.0	-49.10	287.08	3.59	-45.51
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1I	REAL300010901431	0	31	-1.0	-44.12	282.73	4.08	-40.04
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901432	0	41	-1.0	-46.29	348.55	2.84	-43.45
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901433	0	44	-1.0	-45.94	370.42	3.76	-42.18
COC(=O)C1(CS(=O)(=O)NC(C)(C)C(=O)[O-])CCCCC1	REAL300010901434	0	43	-1.0	-40.88	321.75	4.23	-36.65
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C1C	REAL300010901435	0	36	-1.0	-42.26	304.47	1.91	-40.35
CC(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010901436	0	32	-1.0	-47.41	291.71	2.44	-44.97
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901437	0	37	-1.0	-44.38	330.38	4.52	-39.86
CC(C)(NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010901438	0	44	-1.0	-49.14	371.46	4.55	-44.59
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010901439	0	30	-1.0	-43.93	288.74	2.43	-41.50
CC(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010901440	0	37	-1.0	-45.33	303.96	4.16	-41.17
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010901441	0	29	-1.0	-48.48	273.32	1.92	-46.56
CC(C)(NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010901442	0	34	-1.0	-45.79	294.68	4.16	-41.63
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010901443	0	31	-1.0	-49.66	278.39	1.33	-48.33
CN1C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010901443	1	30	-2.0	-117.21	283.50	1.66	-115.55
CC(C)(NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901444	0	30	-1.0	-45.15	281.96	4.65	-40.50
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901444	1	29	-2.0	-112.79	283.53	4.83	-107.96
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(F)C=C1C	REAL300010901445	0	37	-1.0	-44.64	316.55	3.83	-40.81
CC1=CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010901446	0	36	-1.0	-44.29	314.58	3.88	-40.41
CC(C)(NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010901447	0	38	-1.0	-44.77	318.04	3.35	-41.42
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(C)C)=C1	REAL300010901448	0	55	-1.0	-42.31	389.77	8.07	-34.24
CC(C)(NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010901449	0	33	-1.0	-50.14	295.05	3.67	-46.47
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901450	0	40	-1.0	-46.47	339.18	4.89	-41.58
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901451	0	33	-1.0	-53.72	279.27	2.21	-51.51
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901452	0	35	-1.0	-43.09	306.80	2.77	-40.32
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])CCC2=C1	REAL300010901453	0	40	-1.0	-45.48	322.10	4.18	-41.30
CC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010901454	0	31	-1.0	-42.75	275.67	3.24	-39.51
CC(C)([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010901454	1	30	-2.0	-114.73	279.68	3.23	-111.50
CC(C)(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010901455	0	31	-1.0	-45.10	287.89	4.38	-40.72
CC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010901455	1	30	-2.0	-121.00	294.81	4.83	-116.17
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300010901456	0	42	-1.0	-54.38	362.56	1.10	-53.28
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300010901456	1	41	-2.0	-96.30	359.22	1.15	-95.15
CC(C)(NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010901457	0	31	-1.0	-43.36	289.52	3.96	-39.40
CC(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010901458	0	37	-1.0	-49.12	322.81	0.91	-48.21
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010901459	0	37	-1.0	-45.66	305.34	5.38	-40.28
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901460	0	37	-1.0	-42.32	323.24	4.39	-37.93
CC(C)(NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010901461	0	43	-1.0	-52.82	360.33	3.03	-49.79
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901462	0	41	-1.0	-49.62	333.56	2.79	-46.83
CC(C)(NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010901463	0	31	-1.0	-46.95	281.46	3.76	-43.19
CC(C)(NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010901464	0	34	-1.0	-49.48	291.02	4.87	-44.61
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(CC)=C1	REAL300010901465	0	46	-1.0	-43.10	337.32	7.11	-35.99
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300010901466	0	47	-1.0	-44.97	379.45	3.14	-41.83
CC(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010901467	0	35	-1.0	-50.29	293.95	2.23	-48.06
CC(C)(NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010901468	0	30	-1.0	-45.57	286.19	2.39	-43.18
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901469	0	36	-1.0	-46.41	314.14	2.20	-44.21
CC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010901470	0	36	-1.0	-45.00	308.92	1.01	-43.99
CC(C)(CCS(=O)(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O	REAL300010901471	0	39	-1.0	-52.79	311.62	-0.21	-53.00
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300010901472	0	32	-1.0	-42.84	283.48	2.33	-40.51
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010901473	0	31	-1.0	-45.68	277.70	0.17	-45.51
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901474	0	41	-1.0	-47.16	335.33	3.67	-43.49
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010901475	0	37	-1.0	-44.56	308.00	5.40	-39.16
CC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010901476	0	32	-1.0	-43.85	284.67	2.69	-41.16
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010901477	0	32	-1.0	-43.80	294.99	3.14	-40.66
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901478	0	37	-1.0	-47.36	320.33	3.95	-43.41
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901479	0	41	-1.0	-40.58	330.46	4.23	-36.35
CC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010901480	0	31	-1.0	-44.21	298.48	4.47	-39.74
CC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010901481	0	31	-1.0	-43.61	296.07	4.35	-39.26
CC(C)(NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010901482	0	31	-1.0	-41.16	277.55	1.58	-39.58
CCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010901483	0	36	-1.0	-47.46	300.42	4.31	-43.15
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901484	0	44	-1.0	-48.35	344.99	4.66	-43.69
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901485	0	35	-1.0	-46.74	313.48	4.86	-41.88
COC1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901486	0	31	-1.0	-41.34	280.95	-0.30	-41.64
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300010901487	0	37	-1.0	-46.98	322.58	4.26	-42.72
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901488	0	37	-1.0	-43.03	331.81	4.12	-38.91
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=N1	REAL300010901489	0	37	-1.0	-44.99	323.36	3.94	-41.05
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1F	REAL300010901490	0	34	-1.0	-48.36	315.73	3.76	-44.60
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901490	1	33	-2.0	-120.29	318.64	3.96	-116.33
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901491	0	37	-1.0	-47.94	321.02	3.96	-43.98
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901492	0	34	-1.0	-44.48	295.22	4.44	-40.04
CC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010901493	0	43	-1.0	-43.64	352.52	0.16	-43.48
CC(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010901494	0	35	-1.0	-50.53	303.82	0.34	-50.19
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])SC(Br)=C1	REAL300010901495	0	28	-1.0	-40.62	267.63	2.88	-37.74
CC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010901496	0	37	-1.0	-50.29	302.15	2.95	-47.34
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901497	0	38	-1.0	-49.13	312.89	1.52	-47.61
CC(C)(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010901498	0	34	-1.0	-46.08	297.83	4.56	-41.52
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901499	0	32	-1.0	-42.88	295.65	2.97	-39.91
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)C(=O)[O-])C(=O)NCCC2	REAL300010901500	0	43	-1.0	-52.32	344.98	1.36	-50.96
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S2)C1	REAL300010901501	0	39	-1.0	-49.54	328.09	3.07	-46.47
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010901502	0	35	-1.0	-45.77	312.90	5.00	-40.77
CC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010901503	0	31	-1.0	-43.84	285.73	3.91	-39.93
CC(C)(NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010901504	0	32	-1.0	-44.72	296.63	0.04	-44.68
CC(C)([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010901504	1	31	-2.0	-110.92	299.76	0.24	-110.68
CC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010901505	0	31	-1.0	-44.17	282.43	3.81	-40.36
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010901506	0	28	-1.0	-40.27	276.87	3.58	-36.69
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901507	0	35	-1.0	-50.81	294.27	-0.09	-50.90
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901508	0	53	-1.0	-43.91	418.29	7.40	-36.51
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901509	0	43	-1.0	-49.87	348.52	4.81	-45.06
CC(C)(NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010901510	0	28	-1.0	-39.17	287.35	4.22	-34.95
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br)C(=O)[O-]	REAL300010901510	1	27	-2.0	-106.20	291.90	4.47	-101.73
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901511	0	38	-1.0	-45.78	333.15	4.69	-41.09
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010901512	0	42	-1.0	-46.96	346.15	5.53	-41.43
CC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010901513	0	42	-1.0	-45.03	355.42	5.83	-39.20
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2)=N1	REAL300010901514	0	40	-1.0	-46.44	333.53	2.52	-43.92
COC(CS(=O)(=O)NC(C)(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901515	0	38	-1.0	-45.40	319.95	3.95	-41.45
CC(C)(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010901516	0	40	-1.0	-47.29	320.93	3.89	-43.40
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010901517	0	34	-1.0	-47.46	287.65	1.76	-45.70
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300010901518	0	36	-1.0	-44.66	318.73	1.28	-43.38
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C12	REAL300010901519	0	40	-1.0	-46.04	330.32	5.41	-40.63
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901520	0	39	-1.0	-48.03	322.99	1.58	-46.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1F	REAL300010901521	0	34	-1.0	-48.31	305.40	3.32	-44.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901521	1	33	-2.0	-119.59	308.31	3.52	-116.07
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(Cl)C=C21	REAL300010901522	0	39	-1.0	-55.27	331.96	4.22	-51.05
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901523	0	41	-1.0	-46.91	328.98	4.14	-42.77
COC(CS(=O)(=O)NC(C)(C)C(=O)[O-])C1CCCCC1	REAL300010901524	0	44	-1.0	-45.71	329.61	3.88	-41.83
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010901525	0	47	-1.0	-44.19	369.40	5.52	-38.67
CC(C)(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010901526	0	31	-1.0	-53.77	288.65	2.30	-51.47
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010901527	0	36	-1.0	-45.96	303.37	4.90	-41.06
CC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010901528	0	41	-1.0	-44.40	338.56	4.76	-39.64
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])O1	REAL300010901529	0	34	-1.0	-42.58	296.97	2.13	-40.45
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])O1	REAL300010901529	1	33	-2.0	-112.77	300.95	2.14	-110.63
CCC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300010901530	0	41	-1.0	-52.08	333.43	4.71	-47.37
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901531	0	34	-1.0	-49.40	304.12	4.60	-44.80
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C1	REAL300010901532	0	39	-1.0	-50.45	322.93	3.03	-47.42
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901533	0	31	-1.0	-40.71	279.54	1.06	-39.65
CC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010901534	0	39	-1.0	-46.28	338.57	6.62	-39.66
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901535	0	31	-1.0	-39.39	282.01	3.98	-35.41
CC(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010901536	0	38	-1.0	-50.19	306.03	6.03	-44.16
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010901537	0	48	-1.0	-45.10	393.38	7.35	-37.75
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901538	0	34	-1.0	-45.95	301.91	4.64	-41.31
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901539	0	35	-1.0	-48.29	307.66	3.21	-45.08
CC(C)(NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010901540	0	34	-1.0	-46.16	294.64	4.13	-42.03
CC(C)(NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010901541	0	27	-1.0	-45.85	262.47	1.29	-44.56
CC(C)([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010901541	1	26	-2.0	-113.51	265.48	1.44	-112.07
CC(C)OC1=CN=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901542	0	37	-1.0	-42.40	301.13	1.36	-41.04
CC(C)(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010901543	0	34	-1.0	-54.64	300.11	0.83	-53.81
CC(C)(NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010901544	0	35	-1.0	-51.42	313.47	1.79	-49.63
CCC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C)C=C1OC	REAL300010901545	0	41	-1.0	-43.41	326.08	4.12	-39.29
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010901546	0	34	-1.0	-41.49	309.87	4.35	-37.14
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901547	0	36	-1.0	-51.18	307.86	3.42	-47.76
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901548	0	31	-1.0	-39.37	291.15	4.40	-34.97
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010901549	0	37	-1.0	-49.04	292.60	5.74	-43.30
CC(C)(NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010901550	0	35	-1.0	-42.61	309.77	2.41	-40.20
CC1=CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C2NC1=O	REAL300010901551	0	37	-1.0	-46.62	309.14	2.21	-44.41
CC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010901552	0	37	-1.0	-49.81	320.97	4.83	-44.98
CC(C)(NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010901553	0	28	-1.0	-48.53	256.06	-0.05	-48.58
CC(C)([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010901553	1	27	-2.0	-113.63	259.18	0.29	-113.34
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010901554	0	33	-1.0	-43.33	292.82	3.96	-39.37
CC(C)(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010901555	0	34	-1.0	-42.59	293.59	3.78	-38.81
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)C(=O)[O-])CC1	REAL300010901556	0	45	0.0	-67.38	340.55	1.79	-65.59
CN1CCN(CCCS(=O)(=O)NC(C)(C)C(=O)[O-])CC1	REAL300010901556	1	44	-1.0	-39.07	336.10	-0.61	-39.68
CN1N=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1Br	REAL300010901557	0	28	-1.0	-42.61	264.41	0.63	-41.98
CC(C)(NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901558	0	37	-1.0	-40.49	333.32	4.82	-35.67
CN1N=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1I	REAL300010901559	0	28	-1.0	-41.74	269.92	1.09	-40.65
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901560	0	32	-1.0	-45.28	273.98	3.80	-41.48
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N1	REAL300010901561	0	37	-1.0	-42.62	307.03	0.91	-41.71
CCCCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=N1	REAL300010901562	0	40	-1.0	-45.73	327.42	3.19	-42.54
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(OC)C=C1F	REAL300010901563	0	38	-1.0	-45.63	327.87	3.01	-42.62
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901564	0	38	-1.0	-53.65	313.63	3.43	-50.22
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010901565	0	44	-1.0	-44.58	347.90	4.72	-39.86
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901566	0	40	-1.0	-44.01	316.15	4.73	-39.28
CC(C)(NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010901567	0	31	-1.0	-44.56	283.59	3.93	-40.63
CC(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010901568	0	47	-1.0	-44.55	364.37	7.10	-37.45
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901569	0	33	-1.0	-48.57	302.35	2.35	-46.22
CC(C)(NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010901570	0	25	-1.0	-48.61	239.81	0.91	-47.70
CC(C)([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010901570	1	24	-2.0	-121.18	242.84	0.78	-120.40
CC(C)(NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010901571	0	36	-1.0	-47.87	307.36	3.42	-44.45
CC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010901572	0	27	-1.0	-41.96	264.97	1.82	-40.14
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010901572	1	26	-2.0	-109.11	268.55	1.97	-107.14
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901573	0	31	-1.0	-43.88	287.66	0.32	-43.56
CC(C)(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010901574	0	33	-1.0	-47.37	292.33	3.25	-44.12
CC(C)(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010901575	0	30	-1.0	-41.35	278.52	2.34	-39.01
CC(C)(NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010901576	0	38	-1.0	-50.57	326.48	4.23	-46.34
CC(C)(NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010901577	0	31	-1.0	-38.43	280.88	3.45	-34.98
CC(C)(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010901578	0	27	-1.0	-43.72	266.60	1.05	-42.67
CC(C)(NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010901579	0	30	-1.0	-43.45	291.36	2.46	-40.99
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010901580	0	30	-1.0	-51.11	273.26	3.83	-47.28
CC(C)(NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010901581	0	39	-1.0	-50.00	323.43	-0.79	-50.79
CC(C)(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010901582	0	29	-1.0	-42.79	282.58	1.51	-41.28
CC(C)([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010901583	0	30	-2.0	-120.18	291.09	3.91	-116.27
CC(C)(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010901583	1	31	-1.0	-44.96	288.20	3.82	-41.14
CN1N=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010901584	0	31	-1.0	-43.59	273.43	1.04	-42.55
CN1N=CC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1C(F)(F)F	REAL300010901584	1	30	-2.0	-111.71	276.67	1.40	-110.31
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901585	0	38	-1.0	-42.92	297.29	2.88	-40.04
CC(C)(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010901586	0	25	-1.0	-44.54	249.56	2.21	-42.33
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300010901587	0	40	-1.0	-43.22	309.21	2.77	-40.45
CC(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010901588	0	38	-1.0	-44.85	305.18	2.73	-42.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901589	0	31	-1.0	-42.07	268.25	1.47	-40.60
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901590	0	46	-1.0	-50.47	382.10	4.37	-46.10
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(Br)=N1	REAL300010901591	0	28	-1.0	-47.83	265.78	0.75	-47.08
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901592	0	35	-1.0	-47.21	298.23	2.84	-44.37
CC(C)(NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010901593	0	42	-1.0	-44.18	341.68	3.57	-40.61
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901594	0	31	-1.0	-39.30	291.15	4.40	-34.90
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901595	0	33	-1.0	-47.58	283.17	2.95	-44.63
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901596	0	37	-1.0	-62.35	306.42	0.98	-61.37
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010901597	0	50	-1.0	-44.11	391.26	6.29	-37.82
CC(C)(NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010901598	0	31	-1.0	-44.31	274.61	3.37	-40.94
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010901599	0	39	-1.0	-48.37	328.70	3.32	-45.05
CC(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010901600	0	32	-1.0	-43.56	288.88	4.37	-39.19
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)(C)C	REAL300010901601	0	50	-1.0	-44.40	381.96	6.19	-38.21
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1CC	REAL300010901602	0	44	-1.0	-44.12	352.85	4.97	-39.15
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901603	0	34	-1.0	-41.03	282.71	4.54	-36.49
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300010901604	0	39	-1.0	-45.27	342.77	2.61	-42.66
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901605	0	42	-1.0	-55.18	340.00	2.17	-53.01
CC(C)(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010901606	0	31	-1.0	-46.58	295.31	4.42	-42.16
CC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010901607	0	31	-1.0	-47.33	286.19	4.00	-43.33
CC(C)(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010901608	0	38	-1.0	-48.56	320.87	4.50	-44.06
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901609	0	34	-1.0	-43.04	299.44	4.49	-38.55
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1F	REAL300010901610	0	32	-1.0	-47.48	288.62	2.75	-44.73
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1F	REAL300010901610	1	31	-2.0	-123.99	292.44	3.01	-120.98
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901611	0	38	-1.0	-44.96	314.34	4.93	-40.03
CCOC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])N(C)N=C1	REAL300010901612	0	37	-1.0	-47.49	309.66	2.62	-44.87
CC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010901613	0	32	-1.0	-45.75	286.84	4.31	-41.44
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(=O)OC	REAL300010901614	0	40	-1.0	-47.83	343.27	4.11	-43.72
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901615	0	41	-1.0	-44.55	340.49	3.31	-41.24
CC(C)(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010901616	0	37	-1.0	-46.40	300.85	3.29	-43.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901617	0	44	-1.0	-46.06	355.97	5.21	-40.85
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901618	0	48	-1.0	-52.43	362.91	4.76	-47.67
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901619	0	35	-1.0	-51.46	298.91	2.53	-48.93
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010901620	0	42	-1.0	-45.58	333.44	2.54	-43.04
CC(C)(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010901621	0	43	-1.0	-60.42	348.62	5.13	-55.29
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901622	0	42	-1.0	-60.29	338.76	4.41	-55.88
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300010901623	0	43	-1.0	-44.11	367.28	6.35	-37.76
CC(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010901624	0	38	-1.0	-41.58	303.07	3.00	-38.58
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010901625	0	40	-1.0	-46.48	329.99	5.39	-41.09
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901626	0	41	-1.0	-50.09	345.24	3.88	-46.21
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901627	0	38	-1.0	-52.65	312.69	3.32	-49.33
CC(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010901628	0	39	-1.0	-48.35	315.41	0.54	-47.81
CC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010901629	0	34	-1.0	-45.61	304.65	3.52	-42.09
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010901630	0	34	-1.0	-45.09	288.01	-0.33	-45.42
CC(C)([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010901631	0	24	-2.0	-115.30	245.28	1.45	-113.85
CC(C)(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010901631	1	25	-1.0	-43.53	241.31	1.40	-42.13
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901632	0	32	-1.0	-40.52	284.12	2.00	-38.52
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300010901633	0	32	-1.0	-44.04	281.58	2.01	-42.03
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010901634	0	53	-1.0	-44.14	412.40	7.09	-37.05
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901635	0	44	-1.0	-44.71	340.80	4.61	-40.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901636	0	38	-1.0	-46.61	314.79	3.94	-42.67
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300010901637	0	51	-1.0	-47.10	403.38	4.94	-42.16
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901638	0	36	-1.0	-43.84	306.98	2.21	-41.63
CC(C)(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010901639	0	36	-1.0	-50.14	306.90	4.68	-45.46
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901640	0	32	-1.0	-47.15	275.12	3.04	-44.11
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901640	1	31	-2.0	-118.76	283.49	3.39	-115.37
CC1=C(Br)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C)S1	REAL300010901641	0	31	-1.0	-44.03	280.77	3.77	-40.26
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(Br)=C1	REAL300010901642	0	31	-1.0	-45.76	284.68	4.49	-41.27
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1Br	REAL300010901643	0	34	-1.0	-50.91	305.46	3.78	-47.13
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901644	0	45	-1.0	-59.69	347.31	4.49	-55.20
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010901645	0	34	-1.0	-48.21	293.29	3.16	-45.05
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300010901646	0	42	-1.0	-47.08	335.09	3.95	-43.13
CN1N=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901647	0	28	-1.0	-40.96	259.88	0.56	-40.40
CC(C)(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901648	0	30	-1.0	-40.89	271.29	1.62	-39.27
CC(C)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010901649	0	32	-1.0	-48.33	295.56	3.09	-45.24
CC(C)(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010901650	0	31	-1.0	-54.25	284.09	2.20	-52.05
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1F	REAL300010901651	0	37	-1.0	-44.25	290.35	4.87	-39.38
COC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300010901652	0	36	-1.0	-49.52	296.19	2.45	-47.07
CC(C)(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010901653	0	37	-1.0	-54.07	305.71	-0.32	-54.39
CC(C)(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010901654	0	29	-1.0	-43.46	278.48	3.37	-40.09
CC(C)(NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010901655	0	44	-1.0	-48.71	383.23	3.43	-45.28
CC(C)(NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010901655	1	43	-2.0	-83.08	380.25	1.85	-81.23
COC1=CC=C(F)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300010901656	0	36	-1.0	-50.05	296.05	2.69	-47.36
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901657	0	30	-2.0	-108.49	302.15	2.14	-106.35
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901657	1	31	-1.0	-40.93	298.16	2.13	-38.80
CC(C)(NS(=O)(=O)C1=CC=C(I)S1)C(=O)[O-]	REAL300010901658	0	25	-1.0	-42.11	258.39	2.71	-39.40
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300010901659	0	41	-1.0	-47.13	328.56	3.35	-43.78
CC(C)(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010901660	0	32	-1.0	-48.10	289.70	4.42	-43.68
CC(C)(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010901661	0	30	-2.0	-92.56	274.36	3.21	-89.35
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010901662	0	32	-1.0	-45.40	277.63	2.05	-43.35
CC(C)(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010901663	0	32	-1.0	-51.64	295.54	3.14	-48.50
CC(C)(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010901664	0	31	-1.0	-49.25	266.21	1.49	-47.76
CC(C)([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010901664	1	30	-2.0	-124.80	272.94	1.95	-122.85
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300010901665	0	34	-1.0	-42.65	295.04	4.60	-38.05
CC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010901666	0	34	-1.0	-42.58	306.06	3.56	-39.02
CC(C)(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010901667	0	31	-1.0	-45.31	273.47	2.92	-42.39
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCC2)=N1	REAL300010901668	0	38	-1.0	-47.12	312.42	2.87	-44.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901669	0	46	-1.0	-44.59	352.79	6.49	-38.10
CC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010901670	0	34	-1.0	-44.76	310.32	4.44	-40.32
CC(C)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010901671	0	38	-1.0	-47.39	311.47	3.07	-44.32
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010901672	0	39	-1.0	-47.33	338.92	5.40	-41.93
CC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010901673	0	41	-1.0	-51.69	328.67	0.87	-50.82
COC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010901674	0	37	-1.0	-58.68	303.91	3.75	-54.93
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901675	0	34	-1.0	-44.19	294.34	0.79	-43.40
CC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010901676	0	32	-1.0	-39.98	295.17	3.81	-36.17
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C=C1	REAL300010901677	0	40	-1.0	-45.99	338.70	5.35	-40.64
CC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C(=O)[O-]	REAL300010901678	0	37	-1.0	-47.83	327.73	5.07	-42.76
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010901679	0	33	-1.0	-42.46	290.13	2.30	-40.16
CC(C)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901680	0	31	-1.0	-40.56	283.78	3.54	-37.02
CC(C)(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010901681	0	28	-1.0	-45.54	259.33	2.94	-42.60
CC(C)(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010901682	0	28	-1.0	-42.33	269.18	2.63	-39.70
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010901683	0	31	-1.0	-40.15	290.57	3.88	-36.27
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901684	0	39	-1.0	-53.24	323.71	4.61	-48.63
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010901685	0	39	-1.0	-44.53	306.73	5.53	-39.00
CC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010901686	0	38	-1.0	-48.80	318.20	4.16	-44.64
CC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010901687	0	34	-1.0	-42.85	300.50	3.48	-39.37
CC(C)(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010901688	0	33	-1.0	-44.92	299.35	2.95	-41.97
CC(C)(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010901689	0	35	-1.0	-46.94	292.95	1.04	-45.90
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901690	0	38	-1.0	-42.93	335.07	3.24	-39.69
CC(C)(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010901691	0	28	-1.0	-46.79	258.39	2.93	-43.86
CC(C)(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010901692	0	31	-1.0	-44.55	270.11	4.12	-40.43
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901693	0	34	-1.0	-43.25	303.57	2.77	-40.48
CC(C)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010901694	0	35	-1.0	-47.06	295.19	4.78	-42.28
CC(C)(NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1)C(=O)[O-]	REAL300010901695	0	30	-1.0	-41.72	291.87	2.64	-39.08
CC(C)(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010901696	0	38	-1.0	-41.52	303.62	2.94	-38.58
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901697	0	37	-1.0	-51.11	308.76	-0.02	-51.13
CC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010901698	0	31	-1.0	-53.32	291.57	-0.92	-54.24
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901699	0	40	-1.0	-54.63	328.97	6.30	-48.33
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010901700	0	28	-1.0	-40.93	263.37	1.98	-38.95
CC(C)([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010901700	1	27	-2.0	-109.66	267.36	1.99	-107.67
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901701	0	32	-1.0	-43.02	281.35	2.42	-40.60
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300010901702	0	42	-1.0	-46.52	337.79	1.57	-44.95
CC(C)(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010901703	0	34	-1.0	-46.47	292.34	4.09	-42.38
CC(C)(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010901704	0	32	-1.0	-46.04	277.74	2.05	-43.99
CC(C)(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010901705	0	35	-1.0	-42.86	326.38	2.37	-40.49
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300010901706	0	39	-1.0	-53.64	308.94	5.03	-48.61
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901707	0	38	-1.0	-46.16	316.04	3.25	-42.91
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901708	0	37	-1.0	-48.60	318.36	4.80	-43.80
CC(C)(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300010901709	0	31	-1.0	-46.22	296.89	4.60	-41.62
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901710	0	38	-1.0	-44.26	317.58	3.63	-40.63
CC(C)(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010901711	0	41	-1.0	-44.49	324.17	3.33	-41.16
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010901712	0	39	-1.0	-44.30	327.55	5.33	-38.97
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901713	0	40	-1.0	-47.94	328.19	5.25	-42.69
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(C)=C1Br	REAL300010901714	0	34	-1.0	-41.96	295.72	4.19	-37.77
CC(C)(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010901715	0	33	-1.0	-46.81	298.90	3.91	-42.90
CC(C)([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010901715	1	32	-2.0	-119.59	306.27	4.29	-115.30
CC(C)(NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010901716	0	34	-1.0	-41.85	314.43	3.82	-38.03
CC(C)([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010901716	1	33	-2.0	-113.70	320.77	4.09	-109.61
CC(C)(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010901717	0	40	-1.0	-46.66	322.85	0.31	-46.35
CC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010901718	0	32	-1.0	-45.62	290.86	4.40	-41.22
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2	REAL300010901719	0	34	-1.0	-43.43	322.70	3.65	-39.78
CC(C)([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010901720	0	27	-2.0	-116.08	273.32	3.67	-112.41
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010901721	0	30	-1.0	-46.00	281.52	1.89	-44.11
CC(C)([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010901721	1	29	-2.0	-111.66	284.52	2.04	-109.62
CC(C)(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010901722	0	33	-1.0	-52.52	295.74	3.68	-48.84
CC(C)(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010901723	0	33	-1.0	-52.43	291.84	3.49	-48.94
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300010901724	0	37	-1.0	-48.79	298.08	5.41	-43.38
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901725	0	32	-1.0	-48.97	288.69	3.38	-45.59
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901725	1	31	-2.0	-125.22	295.34	3.74	-121.48
CC(C)(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010901726	0	35	-1.0	-47.17	295.89	2.84	-44.33
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300010901727	0	42	-1.0	-45.47	342.51	3.98	-41.49
CC(C)(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010901728	0	28	-1.0	-45.02	267.91	3.19	-41.83
CC(C)([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010901728	1	27	-2.0	-112.34	271.05	3.37	-108.97
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])O1	REAL300010901729	0	34	-1.0	-54.93	303.14	-0.95	-55.88
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010901730	0	38	-1.0	-49.86	316.11	4.04	-45.82
CC(C)(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010901731	0	34	-1.0	-47.13	310.73	0.43	-46.70
CC(C)(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010901732	0	32	-1.0	-43.54	293.44	4.46	-39.08
CC(C)(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010901733	0	32	-1.0	-43.38	293.44	4.47	-38.91
CC(C)(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010901734	0	30	-1.0	-47.40	269.32	1.85	-45.55
CC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010901735	0	37	-1.0	-48.93	312.32	2.42	-46.51
CC1=NC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010901735	1	36	-2.0	-131.84	319.56	1.76	-130.08
CC(C)(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010901736	0	45	-1.0	-40.80	315.31	5.54	-35.26
CC(C)(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010901737	0	36	-1.0	-52.53	308.74	-0.52	-53.05
CCOC(=O)C1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2C=CC=CN12	REAL300010901738	0	40	-1.0	-55.28	342.16	4.63	-50.65
CC(C)(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010901739	0	32	-1.0	-51.29	287.88	1.73	-49.56
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2C=C1	REAL300010901740	0	37	-1.0	-50.21	321.32	4.92	-45.29
CC(C)(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010901741	0	38	-1.0	-46.85	321.23	5.49	-41.36
CC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010901742	0	50	-1.0	-45.10	367.43	6.63	-38.47
CC(C)(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010901743	0	31	-1.0	-47.19	282.52	3.27	-43.92
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901744	0	39	-1.0	-45.73	317.99	3.68	-42.05
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=NN1	REAL300010901745	0	34	-1.0	-44.73	299.64	0.54	-44.19
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901745	1	33	-2.0	-92.46	296.07	0.39	-92.07
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=N[N-]1	REAL300010901745	1	33	-2.0	-92.42	296.22	0.40	-92.02
COC1=CSC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300010901746	0	33	-1.0	-44.12	290.14	0.41	-43.71
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])=C1	REAL300010901747	0	30	-2.0	-107.83	298.08	2.05	-105.78
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901747	1	31	-1.0	-40.94	294.09	2.02	-38.92
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901748	0	32	-1.0	-46.18	287.22	3.55	-42.63
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901748	1	31	-2.0	-118.14	297.65	3.98	-114.16
CC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010901749	0	32	-1.0	-46.99	288.74	3.33	-43.66
CC(C)(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010901750	0	32	-1.0	-46.97	283.44	2.12	-44.85
CC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010901751	0	31	-1.0	-49.95	269.32	4.11	-45.84
CC(C)(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010901752	0	37	-1.0	-42.63	315.82	2.92	-39.71
CC(C)(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010901753	0	25	-1.0	-38.96	262.51	2.52	-36.44
CC(C)([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010901753	1	24	-2.0	-105.79	268.59	2.87	-102.92
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901754	0	41	-1.0	-45.66	330.98	4.78	-40.88
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010901755	0	45	-1.0	-45.40	355.83	4.36	-41.04
CC(C)(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010901756	0	31	-1.0	-43.74	292.39	4.11	-39.63
CC(C)(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010901757	0	33	-1.0	-45.24	291.69	3.18	-42.06
CC(C)(NS(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010901758	0	25	-1.0	-41.62	253.37	2.48	-39.14
CC(C)([N-]S(=O)(=O)C1=C(I)C=CS1)C(=O)[O-]	REAL300010901758	1	24	-2.0	-112.85	262.01	2.81	-110.04
CC(C)(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010901759	0	39	-1.0	-47.54	328.04	5.39	-42.15
CC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010901760	0	34	-1.0	-52.94	276.67	4.59	-48.35
CC(C)(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010901761	0	33	-1.0	-48.00	292.80	1.03	-46.97
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010901762	0	29	-1.0	-48.55	281.92	1.41	-47.14
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901763	0	39	-1.0	-47.45	322.80	4.19	-43.26
CCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300010901764	0	38	-1.0	-47.45	318.62	3.22	-44.23
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300010901765	0	32	-1.0	-48.12	275.55	1.95	-46.17
CC(C)(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010901766	0	34	-1.0	-43.61	300.68	5.22	-38.39
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010901767	0	38	-1.0	-43.60	328.10	6.36	-37.24
COC(=O)C1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C(Cl)S1	REAL300010901768	0	31	-1.0	-47.51	296.00	3.63	-43.88
CCC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Br	REAL300010901769	0	34	-1.0	-41.96	296.42	4.32	-37.64
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901770	0	41	-1.0	-43.38	324.77	3.63	-39.75
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901771	0	42	-1.0	-48.20	345.48	2.76	-45.44
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010901772	0	34	-1.0	-47.06	298.81	5.46	-41.60
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901773	0	36	-1.0	-43.43	288.38	0.49	-42.94
CC(C)(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300010901774	0	34	-1.0	-44.56	302.95	2.26	-42.30
CC(C)(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010901775	0	43	-1.0	-44.30	339.36	2.80	-41.50
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901776	0	31	-1.0	-43.97	283.09	0.21	-43.76
CC(C)(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010901777	0	27	-1.0	-39.08	264.29	0.61	-38.47
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901778	0	37	-1.0	-50.95	320.50	1.55	-49.40
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300010901778	1	36	-2.0	-90.24	317.21	0.43	-89.81
CC(C)(NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010901779	0	32	-1.0	-43.76	303.57	4.83	-38.93
COC(=O)C1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300010901780	0	36	-1.0	-43.55	304.22	1.84	-41.71
CC(C)(NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010901781	0	31	-1.0	-52.72	278.06	4.48	-48.24
CC(C)(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010901782	0	35	-1.0	-46.94	290.05	3.66	-43.28
CC(C)(NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010901783	0	35	-1.0	-44.29	298.67	4.66	-39.63
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300010901784	0	42	-1.0	-44.64	348.35	6.07	-38.57
CC(C)(NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010901785	0	35	-1.0	-45.64	300.22	4.71	-40.93
CC(C)(NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010901786	0	32	-1.0	-48.26	291.00	2.99	-45.27
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901787	0	37	-1.0	-47.71	306.33	4.33	-43.38
CC(C)(NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010901788	0	31	-1.0	-47.09	278.09	3.50	-43.59
CC(C)(NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010901789	0	32	-1.0	-55.02	287.33	2.01	-53.01
CC(C)(NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010901790	0	35	-1.0	-46.65	293.69	4.83	-41.82
COC1=CC=C(I)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901791	0	32	-1.0	-44.16	289.46	3.07	-41.09
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(Cl)=C1Cl	REAL300010901792	0	31	-1.0	-45.90	286.01	4.13	-41.77
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010901793	0	32	-1.0	-43.29	291.94	2.46	-40.83
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300010901794	0	51	-1.0	-44.96	409.42	7.68	-37.28
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(F)F)=C1	REAL300010901795	0	35	-1.0	-46.61	289.05	3.08	-43.53
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(=O)OC	REAL300010901796	0	41	-1.0	-46.46	341.32	4.08	-42.38
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C1	REAL300010901797	0	41	-1.0	-46.87	338.18	5.00	-41.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901798	0	34	-1.0	-43.45	305.21	0.66	-42.79
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901799	0	34	-1.0	-46.16	306.61	4.66	-41.50
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901799	1	33	-2.0	-116.76	310.81	4.83	-111.93
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901800	0	33	-1.0	-51.02	280.23	2.30	-48.72
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300010901801	0	34	-1.0	-54.82	286.18	4.07	-50.75
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)C(=O)[O-]	REAL300010901801	1	33	-2.0	-134.90	296.04	4.33	-130.57
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300010901802	0	36	-1.0	-54.75	298.24	3.78	-50.97
CC(C)([N-]S(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010901803	0	23	-2.0	-106.01	247.44	1.20	-104.81
CC(C)(NS(=O)(=O)C1=C(Br)C=NS1)C(=O)[O-]	REAL300010901803	1	24	-1.0	-40.14	242.73	0.93	-39.21
CC(C)(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300010901804	0	35	-1.0	-48.46	313.25	3.48	-44.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300010901805	0	41	-1.0	-48.62	328.73	4.54	-44.08
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1Cl)C1=CC=C(F)C=C1	REAL300010901806	0	31	-1.0	-44.41	307.10	4.07	-40.34
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Br)=C1)C1=CC=C(F)C=C1	REAL300010901807	0	32	-1.0	-40.32	319.76	5.99	-34.33
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Br)C1=CC=C(F)C=C1	REAL300010901808	0	32	-1.0	-41.15	309.91	5.96	-35.19
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1C	REAL300010901809	0	44	-1.0	-43.18	357.48	7.96	-35.22
COC(=O)CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300010901810	0	41	-1.0	-47.66	361.62	5.85	-41.81
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901811	0	38	-1.0	-48.13	341.38	6.81	-41.32
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901812	0	41	-1.0	-49.67	374.65	6.84	-42.83
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1Cl)C1=CC=C(F)C=C1	REAL300010901813	0	32	-1.0	-50.00	326.94	6.34	-43.66
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300010901814	0	38	-1.0	-47.99	354.28	6.09	-41.90
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901815	0	44	-1.0	-43.30	374.62	7.70	-35.60
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901816	0	41	-1.0	-51.59	358.24	7.18	-44.41
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901817	0	44	-1.0	-51.31	376.45	7.86	-43.45
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300010901818	0	32	-1.0	-43.15	312.58	5.15	-38.00
O=C([O-])C(NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1)C1=CC=C(F)C=C1	REAL300010901819	0	36	-1.0	-43.79	334.53	2.17	-41.62
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901820	0	42	-1.0	-54.87	380.00	4.29	-50.58
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(F)C=C1	REAL300010901821	0	34	-1.0	-45.41	340.50	6.55	-38.86
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC=C1Cl)C1=CC=C(F)C=C1	REAL300010901822	0	32	-1.0	-42.14	316.87	6.53	-35.61
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=C(F)C=C1	REAL300010901823	0	29	-1.0	-39.75	307.74	4.97	-34.78
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901824	0	41	-1.0	-43.19	363.15	7.57	-35.62
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901825	0	36	-1.0	-56.07	327.48	5.09	-50.98
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901826	0	43	-1.0	-52.16	367.10	4.04	-48.12
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(F)=C1F)C1=CC=C(F)C=C1	REAL300010901827	0	32	-1.0	-47.51	317.31	5.48	-42.03
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1)C1=CC=C(F)C=C1	REAL300010901828	0	32	-1.0	-38.80	332.23	6.38	-32.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1Cl)C1=CC=C(F)C=C1	REAL300010901829	0	32	-1.0	-41.60	307.02	5.80	-35.80
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1F)C1=CC=C(F)C=C1	REAL300010901830	0	32	-1.0	-45.08	304.85	5.59	-39.49
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=CC=C(F)C=C1	REAL300010901830	1	31	-2.0	-135.35	306.76	5.35	-130.00
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)N=C1)C1=CC=C(F)C=C1	REAL300010901831	0	31	-1.0	-41.87	310.62	4.00	-37.87
N#CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901832	0	33	-1.0	-39.92	317.58	5.71	-34.21
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901833	0	33	-1.0	-49.46	318.59	5.66	-43.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1F)C1=CC=C(F)C=C1	REAL300010901834	0	32	-1.0	-48.53	321.41	5.88	-42.65
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1NC(C)=O	REAL300010901835	0	43	-1.0	-50.51	380.53	3.64	-46.87
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1=CC=C(F)C=C1	REAL300010901836	0	36	-1.0	-48.44	343.78	5.06	-43.38
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1C	REAL300010901837	0	47	-1.0	-52.21	371.79	8.34	-43.87
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=CC=C(F)C=C1	REAL300010901838	0	41	-1.0	-48.55	361.61	5.30	-43.25
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300010901839	0	37	-1.0	-42.39	342.99	6.54	-35.85
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)S1)C1=CC=C(F)C=C1	REAL300010901840	0	29	-1.0	-39.89	312.37	5.08	-34.81
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901841	0	50	-1.0	-43.08	401.42	9.28	-33.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1=CC=C(F)C=C1	REAL300010901842	0	48	-1.0	-51.20	399.88	9.05	-42.15
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1=CC=C(F)C=C1	REAL300010901843	0	35	-1.0	-48.04	336.77	6.25	-41.79
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1=CC=C(F)C=C1	REAL300010901844	0	42	-1.0	-44.03	359.46	7.81	-36.22
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901845	0	38	-1.0	-51.74	340.69	6.71	-45.03
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901846	0	40	-1.0	-43.81	338.34	4.74	-39.07
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1OC	REAL300010901847	0	40	-1.0	-44.27	355.47	4.52	-39.75
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1=CC=C(F)C=C1	REAL300010901848	0	39	-1.0	-45.59	344.32	7.27	-38.32
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901849	0	34	-1.0	-41.70	311.95	4.31	-37.39
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300010901850	0	39	-1.0	-46.44	373.36	3.52	-42.92
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1=CC=C(F)C=C1	REAL300010901851	0	40	-1.0	-44.89	353.22	7.75	-37.14
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1F)C1=CC=C(F)C=C1	REAL300010901852	0	32	-1.0	-41.48	298.79	5.11	-36.37
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901853	0	42	-1.0	-54.06	363.42	4.96	-49.10
O=C([O-])C(NS(=O)(=O)C1=C(Cl)SC(Cl)=C1)C1=CC=C(F)C=C1	REAL300010901854	0	29	-1.0	-37.13	321.68	5.49	-31.64
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901855	0	47	-1.0	-42.33	401.87	8.88	-33.45
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300010901856	0	38	-1.0	-55.64	340.22	7.65	-47.99
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1=CC=C(F)C=C1	REAL300010901857	0	42	-1.0	-52.40	372.19	8.65	-43.75
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901858	0	35	-1.0	-40.31	317.37	6.25	-34.06
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901859	0	47	-1.0	-43.35	388.84	8.16	-35.19
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1Cl	REAL300010901860	0	35	-1.0	-41.64	332.21	6.42	-35.22
O=C([O-])C(NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1)C1=CC=C(F)C=C1	REAL300010901861	0	32	-1.0	-37.19	317.41	5.56	-31.63
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300010901862	0	35	-1.0	-52.92	325.86	6.07	-46.85
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901863	0	35	-1.0	-53.02	313.89	6.19	-46.83
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CN1C	REAL300010901864	0	35	-1.0	-56.97	322.04	4.17	-52.80
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F)C1=CC=C(F)C=C1	REAL300010901865	0	35	-1.0	-40.76	330.45	6.02	-34.74
O=C([O-])C(NS(=O)(=O)C1=CC(F)=C(F)C=C1F)C1=CC=C(F)C=C1	REAL300010901866	0	32	-1.0	-37.65	315.12	5.53	-32.12
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NON=C21)C1=CC=C(F)C=C1	REAL300010901867	0	33	-1.0	-61.17	307.64	4.14	-57.03
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1F	REAL300010901868	0	35	-1.0	-40.72	325.50	6.06	-34.66
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1)C1=CC=C(F)C=C1	REAL300010901869	0	35	-1.0	-37.59	341.07	6.38	-31.21
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1=CC=C(F)C=C1	REAL300010901870	0	37	-1.0	-49.66	322.74	6.44	-43.22
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F)C1=CC=C(F)C=C1	REAL300010901871	0	35	-1.0	-48.18	330.13	6.96	-41.22
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1F)C1=CC=C(F)C=C1	REAL300010901872	0	32	-1.0	-45.81	306.66	5.50	-40.31
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901873	0	38	-1.0	-49.02	355.66	5.76	-43.26
CC1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901874	0	35	-1.0	-46.44	313.12	5.68	-40.76
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1F	REAL300010901875	0	36	-1.0	-42.69	334.48	4.73	-37.96
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1F	REAL300010901876	0	35	-1.0	-43.74	325.50	6.06	-37.68
O=C([O-])C(NS(=O)(=O)C1=C(F)C=C(F)C=C1F)C1=CC=C(F)C=C1	REAL300010901877	0	32	-1.0	-40.09	312.96	5.70	-34.39
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F)C1=CC=C(F)C=C1	REAL300010901877	1	31	-2.0	-129.86	308.16	5.99	-123.87
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901878	0	32	-1.0	-61.09	303.01	4.40	-56.69
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(F)C=C1	REAL300010901879	0	31	-1.0	-42.53	293.75	3.57	-38.96
N#CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901880	0	32	-1.0	-41.30	303.54	4.29	-37.01
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901881	0	43	-1.0	-51.75	352.94	5.65	-46.10
CC1CCCCN1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901882	0	40	-1.0	-40.64	326.93	5.38	-35.26
CC(C)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901883	0	36	-1.0	-50.74	311.21	3.86	-46.88
CCCN(CCC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901884	0	42	-1.0	-41.50	355.25	5.61	-35.89
CN(CCC#N)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901885	0	34	-1.0	-53.04	315.59	3.81	-49.23
N#CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901886	0	36	-1.0	-57.74	342.50	6.35	-51.39
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300010901887	0	38	-1.0	-53.09	343.09	6.75	-46.34
CC1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1Cl	REAL300010901888	0	35	-1.0	-53.95	336.76	7.01	-46.94
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C1=CC=C(F)C=C1	REAL300010901889	0	35	-1.0	-39.65	353.01	6.98	-32.67
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C2=CC=CC=C12	REAL300010901890	0	42	-1.0	-46.05	362.88	6.88	-39.17
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C(N)=O	REAL300010901891	0	39	-1.0	-42.27	347.35	2.77	-39.50
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C(N)=O	REAL300010901892	0	40	-1.0	-46.36	360.59	2.73	-43.63
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901893	0	37	-1.0	-47.27	342.16	6.88	-40.39
CC(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300010901894	0	39	-1.0	-58.29	360.67	4.27	-54.02
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901895	0	37	-1.0	-42.93	334.24	6.57	-36.36
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1Cl	REAL300010901896	0	32	-1.0	-56.19	314.05	4.73	-51.46
CN1C=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)=C1Cl	REAL300010901896	1	31	-2.0	-139.68	308.83	5.30	-134.38
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901897	0	35	-1.0	-41.99	324.57	6.05	-35.94
COCCOCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901898	0	39	-1.0	-45.57	350.35	2.29	-43.28
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)C=N1)C1=CC=C(F)C=C1	REAL300010901899	0	31	-1.0	-52.74	316.32	3.99	-48.75
CC(=O)NC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1F	REAL300010901900	0	39	-1.0	-47.58	358.48	4.32	-43.26
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901901	0	37	-1.0	-66.85	346.81	1.27	-65.58
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1C	REAL300010901902	0	42	-1.0	-51.89	358.71	6.14	-45.75
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C=C3)C=C21	REAL300010901903	0	43	-1.0	-42.44	382.09	4.85	-37.59
CC(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901904	0	45	-1.0	-49.53	402.16	5.15	-44.38
CCCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901905	0	39	-1.0	-50.86	337.53	4.88	-45.98
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901906	0	40	-1.0	-55.14	358.97	7.76	-47.38
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901907	0	44	-1.0	-51.78	379.22	7.92	-43.86
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901908	0	42	-1.0	-43.35	375.33	5.86	-37.49
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901909	0	44	-1.0	-42.05	370.18	2.57	-39.48
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901910	0	35	-1.0	-39.28	324.90	6.63	-32.65
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901911	0	48	-1.0	-50.30	409.70	7.60	-42.70
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1=CC=C(F)C=C1	REAL300010901912	0	46	-1.0	-50.41	392.65	7.46	-42.95
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901913	0	45	-1.0	-50.38	390.74	6.99	-43.39
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901914	0	42	-1.0	-50.42	370.63	6.30	-44.12
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1Cl	REAL300010901915	0	36	-1.0	-42.22	344.29	5.21	-37.01
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300010901916	0	39	-1.0	-43.97	348.34	5.40	-38.57
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1OC(C)C	REAL300010901917	0	45	-1.0	-44.46	388.11	6.95	-37.51
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(C)=C1	REAL300010901918	0	39	-1.0	-51.39	343.21	5.53	-45.86
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901919	0	43	-1.0	-52.67	382.76	4.77	-47.90
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC=C(F)C=C1	REAL300010901920	0	35	-1.0	-55.20	326.94	6.01	-49.19
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901921	0	43	-1.0	-48.26	387.50	4.98	-43.28
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=C(F)C=C1	REAL300010901922	0	37	-1.0	-46.72	337.72	5.71	-41.01
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901923	0	36	-1.0	-54.91	334.19	5.68	-49.23
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901923	1	35	-2.0	-132.15	329.01	5.97	-126.18
CC1=CC(C#N)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901924	0	36	-1.0	-49.39	334.39	6.62	-42.77
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C(F)=C1	REAL300010901925	0	33	-1.0	-49.32	325.25	5.78	-43.54
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(F)C=C1	REAL300010901926	0	31	-1.0	-46.18	294.94	3.31	-42.87
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1OC	REAL300010901927	0	42	-1.0	-45.53	380.86	6.07	-39.46
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1C	REAL300010901928	0	41	-1.0	-41.97	367.55	6.51	-35.46
COC(=O)CCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901929	0	39	-1.0	-52.71	350.10	4.07	-48.64
CS(=O)(=O)N1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300010901930	0	42	-1.0	-57.12	369.81	0.89	-56.23
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901931	0	41	-1.0	-39.42	341.05	3.25	-36.17
O=C([O-])C(NS(=O)(=O)N1CC2CCC1C2)C1=CC=C(F)C=C1	REAL300010901932	0	38	-1.0	-42.40	324.81	4.88	-37.52
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1)C1=CC=C(F)C=C1	REAL300010901933	0	41	-1.0	-50.15	367.09	5.44	-44.71
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=NN1C1=CC=CC=N1	REAL300010901934	0	41	-1.0	-50.31	373.01	6.63	-43.68
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1C	REAL300010901935	0	41	-1.0	-50.12	354.71	5.12	-45.00
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300010901936	0	38	-1.0	-45.39	341.50	4.42	-40.97
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901937	0	41	-1.0	-48.38	361.28	6.28	-42.10
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901938	0	38	-1.0	-59.64	344.44	5.69	-53.95
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CN1	REAL300010901939	0	38	-1.0	-59.95	342.80	3.75	-56.20
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901940	0	44	-1.0	-45.19	351.45	7.85	-37.34
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901941	0	40	-1.0	-51.75	363.21	4.73	-47.02
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300010901942	0	38	-1.0	-53.09	343.09	6.75	-46.34
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1)C1=CC=C(F)C=C1	REAL300010901943	0	39	-1.0	-53.00	363.72	6.65	-46.35
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CN1	REAL300010901944	0	36	-1.0	-45.02	342.11	3.69	-41.33
N#CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1Cl	REAL300010901945	0	33	-1.0	-37.33	332.95	6.12	-31.21
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1C	REAL300010901946	0	40	-1.0	-57.06	348.66	8.09	-48.97
N#CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1Cl	REAL300010901947	0	33	-1.0	-40.32	335.00	6.16	-34.16
O=C([O-])C(NS(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1)C1=CC=C(F)C=C1	REAL300010901948	0	43	-1.0	-51.65	384.79	5.29	-46.36
COC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010901949	0	35	-1.0	-51.59	338.81	4.08	-47.51
COC(=O)C1=CC=C(S(=O)(=O)[N-]C(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300010901949	1	34	-2.0	-121.42	330.90	4.52	-116.90
COC(=O)C1=C(C)OC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901950	0	38	-1.0	-50.48	356.88	4.79	-45.69
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)S1	REAL300010901951	0	34	-1.0	-51.27	319.46	3.66	-47.61
O=C([O-])C([N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901952	0	33	-2.0	-146.35	316.10	7.14	-139.21
O=C([O-])C(NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901952	1	34	-1.0	-48.74	325.30	7.05	-41.69
O=C([O-])C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(F)C=C1	REAL300010901953	0	35	-1.0	-52.23	355.10	6.99	-45.24
CCOC(=O)C1=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C(C)N1	REAL300010901954	0	45	-1.0	-50.15	391.17	5.86	-44.29
O=C([O-])C(NS(=O)(=O)CC1CCCCC1)C1=CC=C(F)C=C1	REAL300010901955	0	41	-1.0	-39.82	336.95	6.39	-33.43
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901956	0	41	-1.0	-44.06	362.87	6.76	-37.30
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901957	0	34	-1.0	-43.90	332.83	7.36	-36.54
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1OC	REAL300010901958	0	40	-1.0	-51.56	363.42	4.57	-46.99
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1OC	REAL300010901959	0	43	-1.0	-53.19	372.41	5.43	-47.76
O=C([O-])C(NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21)C1=CC=C(F)C=C1	REAL300010901960	0	35	-1.0	-51.28	335.56	6.18	-45.10
COC(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901961	0	37	-1.0	-42.16	338.15	4.59	-37.57
N#CC1=CC(F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901962	0	33	-1.0	-50.50	323.41	5.69	-44.81
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901963	0	33	-1.0	-50.44	333.97	6.11	-44.33
CC(C)OCCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901964	0	38	-1.0	-41.89	333.89	3.74	-38.15
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901965	0	35	-1.0	-40.55	311.83	5.95	-34.60
COC(=O)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300010901966	0	38	-1.0	-53.50	358.12	4.12	-49.38
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300010901967	0	38	-1.0	-44.56	355.16	8.13	-36.43
N#CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901968	0	36	-1.0	-58.62	340.26	6.42	-52.20
O=C([O-])C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1=CC=C(F)C=C1	REAL300010901969	0	50	-1.0	-41.94	385.87	7.04	-34.90
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C=C3)C=CC=C2C=C1	REAL300010901970	0	40	-1.0	-49.75	340.02	6.78	-42.97
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1=CC=C(F)C=C1	REAL300010901971	0	43	-1.0	-45.32	373.89	3.87	-41.45
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901972	0	38	-1.0	-48.92	352.79	6.87	-42.05
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1=CC=C(F)C=C1	REAL300010901973	0	40	-1.0	-44.80	356.80	3.12	-41.68
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1[N+](=O)[O-]	REAL300010901974	0	38	-1.0	-41.23	352.28	6.06	-35.17
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901975	0	38	-1.0	-39.75	349.82	7.03	-32.72
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=N1	REAL300010901976	0	39	-1.0	-43.53	358.53	2.96	-40.57
CC(C)(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901977	0	40	-1.0	-52.87	338.41	5.44	-47.43
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901978	0	42	-1.0	-43.59	349.28	6.87	-36.72
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=CC=C(F)C=C1	REAL300010901979	0	37	-1.0	-48.01	344.86	5.49	-42.52
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC=C(F)C=C1	REAL300010901980	0	39	-1.0	-47.38	357.29	6.44	-40.94
N#CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901981	0	33	-1.0	-46.45	322.50	5.67	-40.78
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901982	0	46	-1.0	-52.81	404.86	5.71	-47.10
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300010901983	0	48	-1.0	-50.37	413.87	7.83	-42.54
O=C([O-])C([N-]S(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901984	0	33	-2.0	-141.85	324.19	7.67	-134.18
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-])C1=CC=C(F)C=C1	REAL300010901984	1	34	-1.0	-46.95	333.84	7.58	-39.37
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1F	REAL300010901985	0	38	-1.0	-43.83	358.10	6.04	-37.79
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901986	0	42	-1.0	-44.03	365.44	5.79	-38.24
COC(=O)C1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901987	0	35	-1.0	-42.70	346.82	5.04	-37.66
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901988	0	44	-1.0	-45.26	383.46	7.26	-38.00
COC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=CC=C1C	REAL300010901989	0	41	-1.0	-43.71	367.57	6.50	-37.21
COC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901990	0	38	-1.0	-44.52	346.50	5.64	-38.88
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC=C(F)C=C1	REAL300010901991	0	42	-1.0	-53.29	354.98	7.97	-45.32
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1=CC=C(F)C=C1	REAL300010901992	0	38	-1.0	-54.27	346.34	7.07	-47.20
O=C([O-])C(NS(=O)(=O)C1=CN=CC(Br)=C1)C1=CC=C(F)C=C1	REAL300010901993	0	31	-1.0	-40.52	315.09	4.17	-36.35
O=C([O-])C(NS(=O)(=O)CC1CCOCC1)C1=CC=C(F)C=C1	REAL300010901994	0	39	-1.0	-41.31	331.21	4.01	-37.30
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1=CC=C(F)C=C1	REAL300010901995	0	39	-1.0	-54.69	361.36	3.19	-51.50
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C2O1	REAL300010901996	0	43	-1.0	-43.74	374.19	6.57	-37.17
COC(=O)C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901997	0	37	-1.0	-52.06	332.37	4.54	-47.52
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300010901998	0	37	-1.0	-61.55	355.07	6.38	-55.17
CN(C1CCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010901999	0	40	-1.0	-38.81	329.37	4.99	-33.82
CCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300010902000	0	36	-1.0	-50.79	316.03	4.10	-46.69
CCC(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010903543	0	38	-1.0	-50.58	320.51	3.83	-46.75
CCC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010903544	0	38	-1.0	-48.93	334.76	4.18	-44.75
CCC(CNS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010903545	0	43	-1.0	-56.39	341.40	5.26	-51.13
CCC(CNS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010903546	0	46	-1.0	-48.63	368.39	4.61	-44.02
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010903547	0	39	-1.0	-51.86	347.84	5.76	-46.10
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010903548	0	38	-1.0	-53.03	326.43	2.51	-50.52
CCC(CNS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010903549	0	39	-1.0	-50.31	334.63	5.64	-44.67
CCC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010903550	0	36	-1.0	-57.22	327.34	4.08	-53.14
CCC(CNS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010903551	0	31	-1.0	-43.18	298.15	4.73	-38.45
CCC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903552	0	33	-1.0	-61.13	293.02	5.08	-56.05
CCC(CNS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010903553	0	28	-1.0	-45.07	280.00	2.33	-42.74
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010903553	1	27	-2.0	-117.77	274.04	2.03	-115.74
CCC(CNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010903554	0	41	-1.0	-53.57	330.63	4.49	-49.08
CCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903555	0	33	-1.0	-55.17	304.44	4.26	-50.91
CCC(CNS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010903556	0	35	-1.0	-44.85	320.89	3.55	-41.30
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CN1C	REAL300010903557	0	41	-1.0	-55.52	354.34	4.60	-50.92
CCC(CNS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010903558	0	44	-1.0	-53.48	381.99	4.73	-48.75
CCC1=NOC2=NC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C12	REAL300010903559	0	38	-1.0	-47.85	336.85	1.31	-46.54
CCC(CNS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010903560	0	43	-1.0	-55.65	360.61	5.02	-50.63
CCC(CNS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010903561	0	31	-1.0	-50.86	290.32	4.34	-46.52
CCC(C[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010903561	1	30	-2.0	-128.23	285.71	4.11	-124.12
CCC(CNS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010903562	0	33	-1.0	-46.94	288.57	2.41	-44.53
CCC(CNS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010903563	0	36	-1.0	-48.51	316.87	3.82	-44.69
CCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010903564	0	38	-1.0	-53.09	328.56	5.26	-47.83
CCC(CNS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010903565	0	35	-1.0	-50.35	326.51	5.05	-45.30
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010903566	0	33	-1.0	-46.72	309.39	4.00	-42.72
CCC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010903567	0	41	-1.0	-54.54	358.89	0.15	-54.39
CCC(CNS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010903568	0	34	-1.0	-47.30	312.13	1.53	-45.77
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010903569	0	40	-1.0	-49.08	351.55	4.56	-44.52
CCC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010903570	0	46	-1.0	-55.74	389.98	4.02	-51.72
CCC(CNS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903571	0	30	-1.0	-49.70	292.48	3.32	-46.38
CCC(CNS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010903572	0	49	0.0	-69.17	386.55	4.82	-64.35
CCC(CNS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010903573	0	37	-1.0	-49.43	326.10	5.01	-44.42
CCC(CNS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010903574	0	34	-1.0	-44.44	311.60	5.11	-39.33
CCC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010903575	0	35	-1.0	-62.25	314.62	3.64	-58.61
CCC(CNS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010903576	0	31	-1.0	-45.56	295.18	3.98	-41.58
CCC(CNS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010903577	0	39	-1.0	-55.46	329.60	4.12	-51.34
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1C	REAL300010903578	0	58	-1.0	-48.33	463.11	8.16	-40.17
CCC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010903579	0	40	-1.0	-45.84	332.43	5.06	-40.78
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010903580	0	45	-1.0	-58.34	385.57	4.71	-53.63
CCC(CNS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010903581	0	32	-1.0	-52.52	293.75	4.01	-48.51
CCC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010903582	0	34	-1.0	-54.59	319.57	2.66	-51.93
CCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010903583	0	46	-1.0	-59.35	381.66	4.69	-54.66
CCC(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010903584	0	37	-1.0	-50.65	338.50	6.45	-44.20
CCC(CNS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010903585	0	42	-1.0	-51.68	359.42	4.45	-47.23
CCC(CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010903586	0	36	-1.0	-50.76	319.97	2.73	-48.03
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010903587	0	39	-1.0	-50.15	337.55	1.85	-48.30
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903589	0	34	-1.0	-44.52	331.08	5.11	-39.41
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903590	0	42	-1.0	-48.34	330.63	1.70	-46.64
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Br)C=C1C)C(=O)[O-]	REAL300010903591	0	36	-1.0	-51.04	330.43	5.60	-45.44
CCC(CNS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903592	0	37	-1.0	-47.43	339.09	4.43	-43.00
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903593	0	41	-1.0	-50.76	362.00	2.93	-47.83
CCC(CNS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903594	0	42	-1.0	-62.41	375.13	5.40	-57.01
CCC(CNS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010903595	0	41	-1.0	-49.37	350.38	4.40	-44.97
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010903596	0	46	-1.0	-58.92	386.65	4.98	-53.94
CCC(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010903597	0	34	-1.0	-51.79	314.69	2.45	-49.34
CCC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010903598	0	42	-1.0	-58.96	357.37	4.92	-54.04
CCC(CNS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010903599	0	39	-1.0	-60.84	321.50	5.23	-55.61
CCC(CNS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010903600	0	39	-1.0	-52.25	341.69	3.35	-48.90
CCC(CNS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010903601	0	34	-1.0	-52.27	303.49	4.44	-47.83
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010903602	0	34	-1.0	-45.25	312.62	4.36	-40.89
CCC(CNS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010903603	0	34	-1.0	-43.67	312.81	4.90	-38.77
CCC(CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010903604	0	35	-1.0	-49.03	294.41	3.84	-45.19
CCC(CNS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010903605	0	38	-1.0	-55.50	350.23	3.24	-52.26
CCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010903606	0	42	-1.0	-58.61	355.52	3.60	-55.01
CCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010903607	0	43	-1.0	-49.11	344.51	2.42	-46.69
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010903608	0	37	-1.0	-48.26	356.08	1.73	-46.53
CCC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010903609	0	39	-1.0	-49.36	345.06	4.87	-44.49
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903610	0	41	-1.0	-50.76	362.00	2.93	-47.83
CCC(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010903611	0	39	-1.0	-53.10	322.83	3.97	-49.13
CCC(CNS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010903612	0	34	-1.0	-44.31	316.74	4.92	-39.39
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010903613	0	41	-1.0	-50.08	350.82	4.08	-46.00
CCC(CNS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010903614	0	37	-1.0	-55.52	330.43	4.85	-50.67
CCC(CNS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010903615	0	35	-1.0	-51.66	311.96	2.96	-48.70
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010903616	0	42	-1.0	-58.74	361.62	3.66	-55.08
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010903617	0	45	-1.0	-58.73	378.66	4.76	-53.97
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010903618	0	45	-1.0	-55.82	378.19	6.95	-48.87
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903619	0	39	-1.0	-58.19	343.69	5.72	-52.47
CCC(CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010903620	0	31	-1.0	-47.67	305.68	4.40	-43.27
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010903620	1	30	-2.0	-116.56	315.62	4.35	-112.21
CCC(CNS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010903621	0	43	0.0	-82.93	349.72	5.48	-77.45
CCC(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010903622	0	39	-1.0	-53.30	322.39	3.96	-49.34
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C2O1	REAL300010903623	0	46	-1.0	-46.68	393.80	6.29	-40.39
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903624	0	43	-1.0	-57.14	362.63	6.06	-51.08
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010903625	0	31	-1.0	-51.11	299.92	4.19	-46.92
CCC(C[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010903625	1	30	-2.0	-114.62	309.16	4.35	-110.27
CCC(CNS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010903626	0	31	-1.0	-42.06	299.07	3.84	-38.22
CCC(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010903627	0	37	-1.0	-52.17	317.01	4.08	-48.09
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010903628	0	35	-1.0	-48.78	303.36	2.66	-46.12
CCC(CNS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903629	0	39	-1.0	-62.79	332.39	6.56	-56.23
CCC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010903630	0	37	-1.0	-55.97	337.24	5.38	-50.59
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010903631	0	41	-1.0	-43.14	361.22	6.57	-36.57
CCC(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010903632	0	34	-1.0	-48.56	313.09	5.15	-43.41
CCC(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010903633	0	36	-1.0	-52.39	312.50	3.94	-48.45
CCC(CNS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010903634	0	37	-1.0	-51.63	326.11	5.01	-46.62
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010903635	0	39	-1.0	-55.13	330.04	5.66	-49.47
CCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010903636	0	31	-1.0	-53.65	307.53	4.77	-48.88
CCC(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903637	0	33	-1.0	-49.71	315.81	5.72	-43.99
CCC(C[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903637	1	32	-2.0	-118.00	319.50	5.50	-112.50
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010903638	0	41	-1.0	-43.14	361.22	6.57	-36.57
CCC(CNS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010903639	0	30	-1.0	-45.65	289.02	2.25	-43.40
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010903640	0	31	-1.0	-47.70	307.44	4.65	-43.05
CCC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010903641	0	42	-1.0	-50.18	372.15	3.43	-46.75
CCC(C[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010903642	0	30	-2.0	-121.10	295.09	3.63	-117.47
CCC(CNS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010903643	0	41	-1.0	-50.61	329.07	5.17	-45.44
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010903644	0	37	-1.0	-53.98	335.54	4.27	-49.71
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010903645	0	35	-1.0	-56.69	313.47	3.93	-52.76
CCC(CNS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903646	0	32	-1.0	-51.35	298.80	2.34	-49.01
CCC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010903647	0	44	-1.0	-56.51	360.05	6.87	-49.64
CCC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010903648	0	42	-1.0	-57.48	353.18	4.29	-53.19
CCC(CNC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010903649	0	48	-1.0	-48.83	372.02	9.74	-39.09
CCC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010903650	0	45	-1.0	-52.90	365.74	5.79	-47.11
CCC(CNS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010903651	0	38	-1.0	-53.94	316.32	3.68	-50.26
CCC(CNS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903652	0	36	-1.0	-51.09	321.25	2.42	-48.67
CCC(CNS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010903653	0	32	-1.0	-51.42	316.72	4.48	-46.94
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903654	0	33	-1.0	-46.80	313.66	4.66	-42.14
CCC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903654	1	32	-2.0	-110.16	322.88	4.82	-105.34
CCC(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010903655	0	38	-1.0	-53.69	337.27	4.23	-49.46
CCC(CNS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010903656	0	37	-1.0	-41.46	344.04	4.25	-37.21
CCC(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010903657	0	38	-1.0	-49.44	324.39	3.41	-46.03
CCC(CNS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010903658	0	39	-1.0	-51.62	331.64	2.83	-48.79
CCC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010903659	0	35	-1.0	-53.35	321.70	3.23	-50.12
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010903660	0	34	-1.0	-47.98	315.63	4.63	-43.35
CCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010903661	0	42	-1.0	-54.50	363.17	0.53	-53.97
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C2S1	REAL300010903662	0	43	-1.0	-45.87	384.72	6.67	-39.20
CCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010903663	0	37	-1.0	-52.69	326.34	2.99	-49.70
CCC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010903664	0	36	-1.0	-53.65	326.87	-0.77	-54.42
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010903665	0	37	-1.0	-46.07	323.08	4.04	-42.03
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903666	0	39	-1.0	-59.65	335.97	4.90	-54.75
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010903667	0	35	-1.0	-46.15	315.87	3.67	-42.48
CCC(CNS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010903668	0	37	-1.0	-43.03	310.60	3.17	-39.86
CCC(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010903669	0	37	-1.0	-50.08	338.28	4.72	-45.36
CCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010903670	0	37	-1.0	-51.38	313.43	4.68	-46.70
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010903671	0	31	-1.0	-44.92	294.02	4.17	-40.75
CCC(CNS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010903672	0	37	-1.0	-47.61	303.79	5.14	-42.47
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010903673	0	31	-1.0	-52.59	309.44	4.86	-47.73
CCC(CNS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010903674	0	41	-1.0	-58.62	347.41	0.64	-57.98
CCC(C[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010903675	0	32	-2.0	-112.39	319.55	4.54	-107.85
CCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010903675	1	33	-1.0	-41.41	312.75	4.54	-36.87
CCC(CNS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010903676	0	33	-1.0	-46.21	310.23	4.37	-41.84
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010903676	1	32	-2.0	-109.86	320.16	4.32	-105.54
CCC(CNS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010903677	0	31	-1.0	-41.83	298.89	4.95	-36.88
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010903677	1	30	-2.0	-112.53	299.50	4.69	-107.84
CCC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010903678	0	32	-1.0	-52.02	293.96	2.00	-50.02
CCC(CNS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010903679	0	31	-1.0	-55.48	295.09	3.95	-51.53
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010903680	0	41	-1.0	-54.49	358.31	4.30	-50.19
CCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010903681	0	31	-1.0	-46.17	308.79	4.85	-41.32
CCC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010903682	0	34	-1.0	-45.14	310.87	4.86	-40.28
CCC(CNS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010903683	0	34	-1.0	-59.92	321.18	1.07	-58.85
CCC(CNS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010903683	1	33	-2.0	-93.37	312.96	-0.06	-93.43
CCC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010903684	0	34	-1.0	-45.12	315.44	4.96	-40.16
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010903685	0	35	-1.0	-50.60	326.87	0.89	-49.71
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903686	0	40	-1.0	-58.15	341.47	6.04	-52.11
CCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010903687	0	39	-1.0	-46.80	309.24	1.00	-45.80
CCC(CNS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010903688	0	35	-1.0	-50.40	331.43	1.00	-49.40
CCOC1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903689	0	38	-1.0	-55.49	327.59	3.81	-51.68
CCC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010903690	0	42	-1.0	-52.76	346.86	4.87	-47.89
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010903691	0	35	-1.0	-49.88	327.97	4.75	-45.13
CCC(CNS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010903692	0	40	-1.0	-46.18	340.19	2.04	-44.14
CCC(CNS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010903693	0	38	-1.0	-47.27	340.34	4.21	-43.06
CCC(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010903694	0	34	-1.0	-49.91	295.96	2.16	-47.75
CCC(CNS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010903695	0	32	-1.0	-59.56	301.49	3.84	-55.72
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010903696	0	32	-1.0	-57.52	303.08	3.96	-53.56
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010903697	0	37	-1.0	-44.24	329.04	5.49	-38.75
CCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300010903698	0	48	-1.0	-55.47	408.10	3.29	-52.18
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010903699	0	37	-1.0	-51.96	319.86	4.66	-47.30
CCC(CNS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010903700	0	45	-1.0	-49.38	378.86	0.94	-48.44
CCC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010903701	0	41	-1.0	-63.64	352.52	0.92	-62.72
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010903702	0	30	-2.0	-120.36	291.45	4.06	-116.30
CCC(CNS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010903702	1	31	-1.0	-53.91	293.65	4.42	-49.49
CCC(CNS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010903703	0	48	-1.0	-61.96	389.38	5.56	-56.40
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903704	0	40	-1.0	-53.76	361.17	5.05	-48.71
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010903705	0	41	-1.0	-51.83	369.48	5.21	-46.62
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903706	0	40	-1.0	-55.15	342.28	5.85	-49.30
CCC(CNS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010903707	0	40	-1.0	-54.78	338.11	5.56	-49.22
CCC(CNS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010903708	0	41	-1.0	-61.29	351.54	2.57	-58.72
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC)C(=O)[O-]	REAL300010903709	0	45	-1.0	-54.82	384.38	4.53	-50.29
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010903710	0	31	-1.0	-51.79	286.30	3.84	-47.95
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010903710	1	30	-2.0	-121.62	291.31	3.78	-117.84
CCC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010903711	0	44	-1.0	-46.94	371.17	5.19	-41.75
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010903712	0	40	-1.0	-51.54	363.60	5.31	-46.23
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC(CC)C(=O)[O-])=C(F)C=C1Cl	REAL300010903712	1	39	-2.0	-117.65	368.64	5.25	-112.40
CCC(CNS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010903713	0	33	-1.0	-54.26	322.29	5.37	-48.89
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010903713	1	32	-2.0	-117.39	321.55	5.06	-112.33
CCC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010903714	0	40	-1.0	-67.08	337.36	0.76	-66.32
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC(CC)C(=O)[O-]	REAL300010903715	0	38	-2.0	-122.18	342.24	4.73	-117.45
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010903716	0	42	-1.0	-56.44	371.07	3.40	-53.04
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C(F)C=C1C	REAL300010903717	0	43	-1.0	-53.99	367.10	5.46	-48.53
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010903718	0	45	-1.0	-60.04	382.85	1.77	-58.27
CCC(CNS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010903719	0	42	-1.0	-59.46	351.81	3.13	-56.33
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903720	0	44	-1.0	-59.14	368.34	4.97	-54.17
CCOC(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CC=C1C	REAL300010903721	0	43	-1.0	-53.75	368.92	5.70	-48.05
CCC(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010903722	0	34	-1.0	-51.89	297.28	4.46	-47.43
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903723	0	43	-1.0	-59.95	375.04	5.95	-54.00
CCC(CNS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010903724	0	37	-1.0	-51.07	347.87	6.29	-44.78
CCC(C[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010903724	1	36	-2.0	-131.11	351.35	5.82	-125.29
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010903725	0	34	-1.0	-51.45	312.99	5.65	-45.80
CCC(CNS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010903726	0	47	-1.0	-46.75	376.43	4.96	-41.79
CCC(CNS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010903727	0	36	-1.0	-57.51	325.00	2.81	-54.70
CCC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010903728	0	37	-1.0	-57.41	338.21	5.60	-51.81
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903729	0	40	-1.0	-58.02	351.08	4.91	-53.11
CCC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010903730	0	41	-1.0	-53.76	345.51	6.99	-46.77
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903731	0	45	-1.0	-52.18	394.75	1.39	-50.79
CCC(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010903732	0	34	-1.0	-58.03	316.76	4.87	-53.16
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=CN1C	REAL300010903733	0	43	-1.0	-56.39	378.24	4.78	-51.61
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010903734	0	37	-1.0	-57.78	341.82	1.50	-56.28
CCC(CNS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010903735	0	35	-1.0	-50.42	323.38	4.48	-45.94
CCC(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010903736	0	34	-1.0	-46.30	302.56	4.50	-41.80
CCC(CNS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010903737	0	33	-1.0	-45.91	303.32	3.00	-42.91
CCC(CNS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010903738	0	34	-1.0	-53.34	316.01	3.18	-50.16
CCC(C[N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010903738	1	33	-2.0	-131.39	314.61	2.67	-128.72
CCC(CNS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010903739	0	32	-1.0	-50.00	299.60	2.44	-47.56
CCC(CNS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010903740	0	44	-1.0	-64.14	368.36	4.42	-59.72
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010903741	0	34	-2.0	-99.62	308.51	3.17	-96.45
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010903741	1	35	-1.0	-51.34	319.80	2.31	-49.03
CCOC(=O)CC1(S(=O)(=O)NCC(CC)C(=O)[O-])CC1	REAL300010903742	0	40	-1.0	-52.19	336.46	5.04	-47.15
CCC(CNS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010903743	0	48	-1.0	-53.75	415.28	4.04	-49.71
CCC(CNS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010903744	0	32	-1.0	-50.85	314.92	4.24	-46.61
CCC(C[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010903744	1	31	-2.0	-113.50	319.97	4.17	-109.33
CCC(CNS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010903745	0	42	-1.0	-56.77	362.82	2.95	-53.82
CCC(CNS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010903746	0	46	-1.0	-51.75	384.24	6.40	-45.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903747	0	43	-1.0	-52.44	374.04	2.85	-49.59
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010903748	0	36	-1.0	-55.41	322.65	0.78	-54.63
CCC(CNS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010903749	0	43	-1.0	-50.45	350.07	4.65	-45.80
CCC(CNS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010903750	0	30	-1.0	-45.66	302.59	2.75	-42.91
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010903751	0	38	-1.0	-46.40	347.41	3.83	-42.57
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010903752	0	37	-1.0	-48.32	325.74	5.08	-43.24
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010903753	0	42	-1.0	-46.58	381.01	6.96	-39.62
CCC(CNS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010903754	0	40	-1.0	-57.91	348.26	5.01	-52.90
CCC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010903755	0	33	-1.0	-51.68	294.43	3.38	-48.30
CCC(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010903756	0	37	-1.0	-55.15	332.75	5.51	-49.64
CCC(CNS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010903757	0	40	-1.0	-50.22	334.58	3.98	-46.24
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010903758	0	31	-1.0	-48.27	303.87	3.76	-44.51
CCC(CNS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010903759	0	35	-1.0	-53.43	324.09	4.59	-48.84
CCC(CNS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300010903760	0	34	-1.0	-53.07	321.57	5.22	-47.85
CCC(CNS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010903761	0	44	-1.0	-49.48	385.46	3.97	-45.51
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903762	0	47	-1.0	-49.23	407.32	4.89	-44.34
CCC(CNS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010903763	0	46	-1.0	-50.58	361.79	5.08	-45.50
CCC(CNS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903764	0	39	-1.0	-48.40	337.56	2.92	-45.48
CCC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010903765	0	35	-1.0	-54.63	320.27	3.14	-51.49
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903766	0	40	-1.0	-48.77	369.00	5.69	-43.08
CCC(CNS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010903767	0	32	-1.0	-49.51	298.01	4.00	-45.51
CCC(CNS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010903768	0	47	-1.0	-55.44	408.72	5.46	-49.98
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010903769	0	33	-1.0	-43.52	307.47	2.89	-40.63
CCC(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010903770	0	44	-1.0	-44.84	327.81	5.66	-39.18
CCC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010903771	0	40	-1.0	-53.18	336.11	5.17	-48.01
CCC(CNS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010903772	0	32	-1.0	-45.80	297.88	2.88	-42.92
CCC(CNS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010903773	0	37	-1.0	-60.48	332.15	5.17	-55.31
CCC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010903774	0	34	-1.0	-55.17	315.13	2.54	-52.63
CCC(C[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010903774	1	33	-2.0	-126.41	312.63	2.06	-124.35
CCC(CNS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903775	0	33	-1.0	-49.78	311.40	5.62	-44.16
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903775	1	32	-2.0	-117.92	315.11	5.38	-112.54
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010903776	0	40	-1.0	-54.15	345.24	4.54	-49.61
CCC(CNS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010903777	0	39	-1.0	-50.58	347.78	4.95	-45.63
CCC(CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010903778	0	40	-1.0	-48.27	328.67	4.74	-43.53
CCC(CNS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010903779	0	41	-1.0	-46.42	349.67	4.40	-42.02
CCC(CNS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010903780	0	58	-1.0	-45.81	427.73	9.50	-36.31
CCC(CNS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010903781	0	36	-1.0	-55.94	318.09	5.12	-50.82
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903782	0	43	-1.0	-58.09	371.73	5.88	-52.21
CCC(CNS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010903783	0	36	-1.0	-54.79	309.56	3.31	-51.48
CCC(CNS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903784	0	38	-1.0	-47.10	343.84	3.90	-43.20
CCC(CNS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010903785	0	43	-1.0	-49.47	359.55	5.30	-44.17
CCC(CNS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010903786	0	39	-1.0	-53.85	336.76	4.55	-49.30
CCC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010903787	0	34	-1.0	-52.44	312.39	4.04	-48.40
CCC(C[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010903787	1	33	-2.0	-118.21	305.25	3.67	-114.54
CCC(CNS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010903788	0	34	-1.0	-49.48	326.92	5.66	-43.82
CCC(C[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010903788	1	33	-2.0	-128.13	325.29	5.27	-122.86
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(F)=C1	REAL300010903789	0	45	-1.0	-52.11	384.78	1.79	-50.32
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(F)=C1	REAL300010903789	1	44	-2.0	-99.27	381.60	1.86	-97.41
CCC(CNS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010903790	0	34	-1.0	-44.17	321.15	5.01	-39.16
CCC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010903791	0	40	-1.0	-55.05	354.83	1.86	-53.19
CCC(CNS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010903792	0	40	-1.0	-52.59	338.60	6.50	-46.09
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010903793	0	40	-1.0	-42.98	353.49	5.58	-37.40
CCC(CNS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010903794	0	46	-1.0	-56.90	397.21	4.16	-52.74
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010903795	0	44	-1.0	-52.17	366.36	3.99	-48.18
CCC(CNS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010903796	0	34	-1.0	-48.21	313.03	4.81	-43.40
CCC(CNS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010903797	0	37	-1.0	-55.35	314.45	5.56	-49.79
CCC1=CC(CC)=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(CC)=C1	REAL300010903798	0	49	-1.0	-44.85	369.35	8.35	-36.50
CCC(CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300010903799	0	50	-1.0	-50.88	417.12	4.37	-46.51
CCC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010903800	0	38	-1.0	-56.95	327.30	3.33	-53.62
CCC(CNS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010903801	0	33	-1.0	-46.63	323.78	3.51	-43.12
CCC(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010903802	0	39	-1.0	-54.66	337.33	3.27	-51.39
CCC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010903803	0	39	-1.0	-48.21	346.77	2.16	-46.05
CCC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010903804	0	36	-1.0	-57.16	325.49	-1.47	-58.63
CCC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010903805	0	42	-1.0	-61.52	348.85	0.70	-60.82
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010903806	0	35	-1.0	-49.02	316.84	3.43	-45.59
CCC(CNS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010903807	0	34	-1.0	-45.81	300.04	0.87	-44.94
CCC(CNS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010903808	0	44	-1.0	-47.66	366.38	4.78	-42.88
CCC(CNS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010903809	0	40	-1.0	-51.95	342.37	6.56	-45.39
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010903810	0	35	-1.0	-52.89	312.90	3.75	-49.14
CCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010903811	0	35	-1.0	-52.77	323.22	4.20	-48.57
CCC(CNS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010903812	0	40	-1.0	-56.01	353.71	5.06	-50.95
CCC(CNS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010903813	0	44	-1.0	-48.30	362.17	5.58	-42.72
CCC(CNS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010903814	0	35	-1.0	-54.86	298.22	3.47	-51.39
CCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010903815	0	34	-1.0	-43.41	328.93	5.40	-38.01
CCC(CNS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010903816	0	34	-1.0	-45.01	327.57	5.42	-39.59
CCC(CNS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010903817	0	34	-1.0	-44.88	309.69	2.72	-42.16
CCC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010903818	0	39	-1.0	-54.94	338.67	5.41	-49.53
CCC(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010903819	0	47	-1.0	-58.45	372.86	5.72	-52.73
CCC(CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010903820	0	38	-1.0	-47.77	345.53	6.00	-41.77
CCC(CNS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010903821	0	38	-1.0	-63.36	342.22	5.47	-57.89
CCC(CNS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010903822	0	34	-1.0	-49.89	319.47	0.81	-49.08
CCOC(=O)C1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(F)=C1	REAL300010903823	0	40	-1.0	-45.64	344.93	4.96	-40.68
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010903824	0	40	-1.0	-46.64	369.11	5.25	-41.39
CCC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010903825	0	34	-1.0	-57.98	316.71	4.82	-53.16
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010903826	0	34	-1.0	-48.99	306.78	4.67	-44.32
CCC(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010903827	0	37	-1.0	-50.30	318.21	4.61	-45.69
CCC(CNS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010903828	0	40	-1.0	-51.88	357.54	5.04	-46.84
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903829	0	37	-1.0	-48.82	343.51	4.48	-44.34
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903829	1	36	-2.0	-130.27	349.12	4.39	-125.88
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010903830	0	40	-1.0	-49.06	343.38	4.66	-44.40
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903831	0	38	-1.0	-46.17	321.73	3.86	-42.31
CCC(CNS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010903832	0	37	-1.0	-58.06	332.41	5.46	-52.60
CCC(CNS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010903833	0	44	-1.0	-47.87	354.29	3.65	-44.22
CCC(CNS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010903834	0	46	-1.0	-47.90	390.24	1.40	-46.50
CCC(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010903835	0	39	-1.0	-59.59	319.58	4.77	-54.82
CCC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010903836	0	38	-1.0	-53.77	340.73	1.46	-52.31
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010903837	0	31	-1.0	-50.35	298.82	4.15	-46.20
CCC(CNS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010903838	0	31	-1.0	-50.96	306.12	4.14	-46.82
CCC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010903839	0	40	-1.0	-56.47	337.98	3.93	-52.54
CCC(CNS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010903840	0	41	-1.0	-56.01	339.31	2.13	-53.88
CCC(CNS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010903841	0	37	-1.0	-45.64	322.05	5.20	-40.44
CCC(CNS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010903842	0	37	-1.0	-59.02	327.04	5.12	-53.90
CCC(CNS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010903843	0	37	-1.0	-55.38	329.24	5.44	-49.94
CCC(CNS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010903844	0	35	-1.0	-53.10	323.73	4.08	-49.02
CCC(CNS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010903845	0	46	-1.0	-63.40	367.93	2.49	-60.91
CCC(CNS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010903846	0	42	-1.0	-47.71	359.96	4.05	-43.66
CCC(CNS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010903847	0	38	-1.0	-46.54	340.34	5.90	-40.64
CCC(CNS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010903848	0	42	-1.0	-56.42	341.01	1.41	-55.01
CCC(CNS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010903849	0	34	-1.0	-45.16	317.24	4.98	-40.18
CCC(CNS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010903850	0	35	-1.0	-50.34	320.29	0.73	-49.61
CCC(C[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010903850	1	34	-2.0	-113.28	325.32	0.67	-112.61
CCC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010903851	0	34	-1.0	-45.57	314.00	4.86	-40.71
CCC(CNS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010903852	0	31	-1.0	-41.91	308.12	4.76	-37.15
CCC(CNS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010903853	0	38	-1.0	-51.64	326.03	1.06	-50.58
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903854	0	56	-1.0	-45.11	450.74	8.56	-36.55
CCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010903855	0	46	-1.0	-56.88	386.08	5.93	-50.95
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010903856	0	41	-1.0	-56.71	361.38	5.76	-50.95
CCC(CNS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010903857	0	31	-1.0	-50.20	303.24	4.25	-45.95
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010903858	0	37	-1.0	-53.98	335.54	4.27	-49.71
CCC(CNS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010903859	0	45	-1.0	-53.27	379.49	6.63	-46.64
CCC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010903860	0	45	-1.0	-54.62	393.70	6.94	-47.68
CCC(CNS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010903861	0	30	-1.0	-58.56	285.22	2.63	-55.93
CCC(C[N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010903861	1	29	-2.0	-127.48	281.60	1.99	-125.49
CCC(CNS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010903862	0	43	-1.0	-57.76	368.93	3.59	-54.17
CCC(CNS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010903863	0	41	-1.0	-49.25	357.43	4.71	-44.54
CCC(CNS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010903864	0	43	-1.0	-56.25	360.28	5.02	-51.23
CCC(CNS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010903865	0	37	-1.0	-48.20	322.44	2.56	-45.64
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010903866	0	39	-1.0	-52.95	358.12	2.48	-50.47
CCC(CNS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010903867	0	43	-1.0	-52.79	362.40	6.45	-46.34
CCC(CNS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010903868	0	42	-1.0	-57.37	361.94	2.78	-54.59
CCC(CNS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903869	0	37	-1.0	-46.42	327.66	4.06	-42.36
CCC(C[N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010903869	1	36	-2.0	-129.45	338.80	3.95	-125.50
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010903870	0	42	-1.0	-57.05	356.18	4.69	-52.36
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C1	REAL300010903871	0	44	-1.0	-53.04	361.34	5.23	-47.81
CCC(CNS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010903872	0	44	-1.0	-47.87	352.97	3.92	-43.95
CCC(CNS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010903873	0	47	-1.0	-46.60	361.67	4.64	-41.96
CCC(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010903874	0	34	-1.0	-52.43	315.97	3.09	-49.34
CCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1C(C)C	REAL300010903875	0	50	-1.0	-50.91	402.77	6.62	-44.29
CCC(CNS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010903876	0	34	-1.0	-63.32	325.68	3.39	-59.93
CCC(CNS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010903877	0	35	-1.0	-46.01	297.02	3.52	-42.49
CCC(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010903878	0	39	-1.0	-52.99	339.37	6.05	-46.94
CCC(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010903879	0	38	-1.0	-48.80	317.87	3.45	-45.35
CCC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010903880	0	44	-1.0	-45.77	371.06	5.94	-39.83
CCC(CNS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010903881	0	37	-1.0	-52.48	333.66	2.96	-49.52
CCC(C[N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010903881	1	36	-2.0	-117.73	331.44	2.59	-115.14
CCC1=NC(S(=O)(=O)NCC(CC)C(=O)[O-])=CN1CC1CC1	REAL300010903882	0	44	-1.0	-56.06	367.71	5.53	-50.53
CCC(CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903883	0	37	-1.0	-59.26	341.72	5.70	-53.56
CCC(CNS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010903884	0	42	-1.0	-54.11	353.89	4.12	-49.99
CCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010903885	0	34	-1.0	-45.72	312.92	2.19	-43.53
CCC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010903886	0	42	-1.0	-53.02	371.93	7.67	-45.35
CCC(CNS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010903887	0	34	-1.0	-48.54	313.10	5.15	-43.39
CCC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010903888	0	41	-1.0	-52.06	336.07	7.01	-45.05
CCC(CNS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300010903889	0	51	-1.0	-47.33	425.43	8.52	-38.81
CCC(CNS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010903890	0	37	-1.0	-48.15	337.50	5.53	-42.62
CCC(CNS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010903891	0	38	-1.0	-59.83	344.94	4.22	-55.61
CCC(CNS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010903892	0	37	-1.0	-47.70	326.27	5.19	-42.51
CCC(CNS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010903893	0	34	-1.0	-53.86	296.20	4.03	-49.83
CCC(CNS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010903894	0	30	-1.0	-47.11	290.44	1.94	-45.17
CCC(C[N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010903894	1	29	-2.0	-122.61	295.97	1.89	-120.72
CCC(CNS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010903895	0	40	-1.0	-48.71	335.74	2.62	-46.09
CCC(CNS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010903896	0	37	-1.0	-54.31	319.09	1.69	-52.62
CCC(CNS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010903897	0	38	-1.0	-53.30	351.76	2.88	-50.42
CCC(C[N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010903898	0	33	-2.0	-131.54	307.38	2.60	-128.94
CCC(CNS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010903898	1	34	-1.0	-61.42	307.75	2.94	-58.48
CCC1=CC(S(=O)(=O)NCC(CC)C(=O)[O-])=C(C)C=C1OC	REAL300010903899	0	44	-1.0	-54.66	362.11	5.27	-49.39
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010903900	0	37	-1.0	-42.92	341.60	5.51	-37.41
CCC(CNS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010903901	0	39	-1.0	-57.40	341.78	4.57	-52.83
CCC(C[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903902	0	32	-2.0	-137.76	302.35	2.12	-135.64
CCC(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010903902	1	33	-1.0	-62.82	300.90	2.46	-60.36
CCC(CNS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010903903	0	34	-1.0	-48.18	322.07	5.55	-42.63
CCC(CNS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010903904	0	40	-1.0	-54.85	322.02	6.62	-48.23
CCC(CNS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010903905	0	38	-1.0	-43.18	339.01	3.51	-39.67
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010903906	0	40	-1.0	-55.89	347.29	3.32	-52.57
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010903907	0	36	-1.0	-53.68	319.47	2.06	-51.62
CCC(CNS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010903908	0	40	-1.0	-53.48	355.85	5.23	-48.25
CCC(CNS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010903909	0	31	-1.0	-50.67	282.42	1.17	-49.50
CCC(C[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010903909	1	30	-2.0	-122.54	289.67	0.74	-121.80
CCC(CNS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010903910	0	36	-1.0	-48.43	316.48	4.62	-43.81
CCC(CNS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010903911	0	37	-1.0	-45.45	330.78	4.80	-40.65
CCC(CNS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010903912	0	48	0.0	-79.95	373.10	2.79	-77.16
CCC(CNS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010903912	1	47	-1.0	-58.66	373.95	0.30	-58.36
CCC(CNS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010903913	0	31	-1.0	-47.06	288.93	1.33	-45.73
CCC(CNS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010903914	0	31	-1.0	-44.76	286.92	1.67	-43.09
CCC(CNS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010903915	0	35	-1.0	-49.14	303.00	4.70	-44.44
CCC(CNS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010903916	0	40	-1.0	-45.56	339.26	2.18	-43.38
CCCCN1C=C(S(=O)(=O)NCC(CC)C(=O)[O-])C(C)=N1	REAL300010903917	0	43	-1.0	-48.06	359.13	4.30	-43.76
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010903918	0	41	-1.0	-55.80	355.92	4.09	-51.71
CCC(CNS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010903919	0	41	-1.0	-62.80	349.82	4.38	-58.42
CCC(CNS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010903920	0	35	-1.0	-50.71	295.97	3.68	-47.03
CCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1C(C)C	REAL300010903921	0	47	-1.0	-51.30	381.27	5.82	-45.48
CCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010903922	0	43	-1.0	-50.39	349.53	5.83	-44.56
CCC(CNS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010903923	0	32	-1.0	-43.48	297.33	4.08	-39.40
CCC(CNS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010903924	0	34	-1.0	-43.65	314.04	4.85	-38.80
CCC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010903925	0	50	-1.0	-58.52	401.84	8.11	-50.41
CCC(CNS(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C)C(=O)[O-]	REAL300010903926	0	36	-1.0	-49.90	333.15	3.80	-46.10
CCC(CNS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010903927	0	28	-1.0	-58.06	274.50	1.69	-56.37
CCC(C[N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010903927	1	27	-2.0	-129.13	274.46	1.15	-127.98
CCC(CNS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010903928	0	39	-1.0	-57.93	339.91	4.42	-53.51
CCC(CNS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010903929	0	30	-1.0	-47.59	284.93	2.24	-45.35
CCC(C[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010903929	1	29	-2.0	-112.77	294.12	2.42	-110.35
CCC(CNS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010903930	0	30	-1.0	-44.64	280.32	1.89	-42.75
CCC(C[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010903930	1	29	-2.0	-122.42	291.37	1.82	-120.60
CCC(CNS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010903931	0	34	-1.0	-50.38	310.99	1.37	-49.01
CCC(CNS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010903932	0	36	-1.0	-53.27	326.80	4.42	-48.85
CCC(CNS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010903933	0	33	-1.0	-45.22	315.37	3.47	-41.75
CCC(CNS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010903934	0	41	-1.0	-50.25	360.29	4.24	-46.01
CCC(CNS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010903935	0	34	-1.0	-46.59	317.34	4.43	-42.16
CCC(CNS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010903936	0	30	-1.0	-56.35	299.55	1.93	-54.42
CCC(CNS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010903937	0	33	-1.0	-47.68	329.10	3.70	-43.98
CCC(CNS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010903938	0	37	-1.0	-60.83	314.81	1.22	-59.61
CCC(C[N-]S(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010903938	1	36	-2.0	-154.37	318.39	0.83	-153.54
CCC(CNS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010903939	0	33	-1.0	-57.83	310.04	4.89	-52.94
CCC(CNS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010903940	0	39	-1.0	-58.87	321.04	2.54	-56.33
CCOC(=O)C1(S(=O)(=O)NCC(CC)C(=O)[O-])CCC1	REAL300010903941	0	40	-1.0	-51.75	331.95	4.39	-47.36
CCC(CNS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010903942	0	42	-1.0	-50.58	356.00	0.22	-50.36
CCC(CNS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010903943	0	32	-1.0	-47.63	320.78	2.70	-44.93
CCC(CNS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010903944	0	40	-1.0	-60.95	354.79	4.97	-55.98
CCC(C[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010903945	0	33	-2.0	-123.03	316.66	4.35	-118.68
CCC(CNS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010903945	1	34	-1.0	-51.64	317.89	4.62	-47.02
CCC(CNS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010903946	0	34	-1.0	-44.56	300.86	2.29	-42.27
CCC(C[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010903946	1	33	-2.0	-114.38	301.28	1.90	-112.48
CCC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010903947	0	41	-1.0	-46.03	329.06	3.66	-42.37
CCC(CNS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010903948	0	28	-1.0	-44.41	267.07	2.68	-41.73
CCC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010903949	0	43	-1.0	-43.63	340.56	3.87	-39.76
CCC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010903950	0	41	-1.0	-48.77	343.01	3.95	-44.82
CCC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010903951	0	34	-1.0	-41.76	296.33	2.19	-39.57
CCC(CNS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010903952	0	31	-1.0	-47.85	285.34	1.40	-46.45
CCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010903953	0	33	-1.0	-52.83	308.21	2.84	-49.99
CCC(CNS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010903954	0	38	-1.0	-48.18	328.72	3.78	-44.40
CCC(CNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010903955	0	45	-1.0	-55.36	382.13	4.79	-50.57
C=CCCC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1	REAL300010903956	0	41	-1.0	-51.69	348.49	6.35	-45.34
CCC(CNS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010903957	0	34	-1.0	-61.74	300.12	1.13	-60.61
CCC(C[N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010903957	1	33	-2.0	-137.26	301.35	0.78	-136.48
CCC(CNS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010903958	0	34	-1.0	-48.33	322.22	5.56	-42.77
CCC(CNS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010903959	0	36	-1.0	-54.86	316.32	4.04	-50.82
CCC(CNS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010903960	0	40	-1.0	-65.81	339.20	1.63	-64.18
CCC(C[N-]S(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010903960	1	39	-2.0	-147.93	333.02	1.34	-146.59
CCCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1C(C)C	REAL300010903961	0	53	-1.0	-53.03	429.18	7.42	-45.61
CCC(CNS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010903962	0	34	-1.0	-52.04	312.90	4.48	-47.56
CCC(CNS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010903963	0	42	-1.0	-58.42	353.49	3.77	-54.65
CCC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010903964	0	35	-1.0	-51.94	319.94	5.27	-46.67
CCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1C(C)(C)C	REAL300010903965	0	53	-1.0	-51.10	415.32	7.29	-43.81
CCCOC1=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C1CC	REAL300010903966	0	47	-1.0	-50.84	385.85	6.09	-44.75
CCC(CNS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010903967	0	38	-1.0	-57.24	335.04	5.53	-51.71
CCC(CNS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010903968	0	37	-1.0	-47.66	314.14	5.57	-42.09
CCC(CNS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010903969	0	45	-1.0	-55.48	363.86	3.27	-52.21
CCC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010903970	0	34	-1.0	-47.75	330.91	5.30	-42.45
CCC(CNS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010903971	0	34	-1.0	-48.28	321.79	4.91	-43.37
CCC(CNS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010903972	0	41	-1.0	-63.85	358.34	5.50	-58.35
CCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010903973	0	37	-1.0	-57.45	337.06	5.49	-51.96
CCC(CNS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010903974	0	33	-1.0	-54.09	294.60	2.41	-51.68
CCC(CNS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010903975	0	35	-1.0	-59.04	325.18	3.81	-55.23
CCC(C[N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010903975	1	34	-2.0	-125.90	318.04	3.43	-122.47
CCC(CNS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010903976	0	41	-1.0	-58.33	350.80	5.89	-52.44
CCOC(=O)C1=C(S(=O)(=O)NCC(CC)C(=O)[O-])N(C)N=C1	REAL300010903977	0	40	-1.0	-45.63	338.78	3.51	-42.12
CCC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010903978	0	35	-1.0	-53.61	317.45	5.18	-48.43
CCC(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010903979	0	36	-1.0	-52.47	308.47	0.54	-51.93
CCC(CNS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010903980	0	35	-1.0	-55.21	311.76	-0.86	-56.07
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010903981	0	43	-1.0	-56.97	381.91	5.24	-51.73
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010903982	0	44	-1.0	-53.51	372.29	4.37	-49.14
CCC(CNS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010903983	0	40	-1.0	-47.78	332.51	4.35	-43.43
CCC(CNS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010903984	0	31	-1.0	-50.24	289.95	3.78	-46.46
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010903985	0	36	-1.0	-50.52	321.09	2.40	-48.12
CCC(CNS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010903986	0	37	-1.0	-55.18	322.97	5.14	-50.04
CCC(CNS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010903987	0	47	-1.0	-51.90	390.16	6.37	-45.53
CCC(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010903988	0	36	-1.0	-56.70	307.49	4.13	-52.57
CCC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010903989	0	51	-1.0	-59.22	398.27	6.04	-53.18
CCC(CNS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010903990	0	38	-1.0	-55.16	326.53	3.55	-51.61
CCC(CNS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010903991	0	45	-1.0	-52.88	366.86	3.65	-49.23
CCC(CNS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010903992	0	46	-1.0	-59.26	386.30	6.25	-53.01
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NCC(CC)C(=O)[O-])C=C21	REAL300010903993	0	45	-1.0	-59.41	376.43	5.54	-53.87
CCC(CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010903994	0	38	-2.0	-101.39	316.80	3.28	-98.11
CCC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300010903995	0	46	-1.0	-48.05	404.47	7.46	-40.59
CCC(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010903996	0	38	-1.0	-46.54	319.99	3.30	-43.24
CCC(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010903997	0	38	-1.0	-46.42	317.94	3.20	-43.22
CCC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010903998	0	41	-1.0	-44.14	329.29	3.94	-40.20
CCC(CNS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010903999	0	43	-1.0	-51.78	362.07	6.45	-45.33
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NCC(CC)C(=O)[O-]	REAL300010904000	0	44	-1.0	-59.76	368.34	4.96	-54.80
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1F	REAL300010915063	0	38	-1.0	-53.77	317.58	4.62	-49.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010915064	0	38	-1.0	-58.92	341.47	5.37	-53.55
COC(=O)C1CCCCC1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915065	0	43	-1.0	-47.34	338.10	5.50	-41.84
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915066	0	46	-1.0	-55.22	374.70	6.33	-48.89
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915067	0	39	-1.0	-62.16	351.74	7.39	-54.77
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915068	0	38	-1.0	-61.67	333.46	3.71	-57.96
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915069	0	39	-1.0	-53.31	328.45	6.50	-46.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010915070	0	36	-1.0	-55.81	330.05	5.44	-50.37
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(I)C=C1	REAL300010915071	0	31	-1.0	-51.91	304.89	5.93	-45.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010915072	0	33	-1.0	-70.64	295.91	6.76	-63.88
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010915073	0	28	-1.0	-52.90	280.89	3.60	-49.30
CN(CCCC(=O)[O-])S(=O)(=O)CC1(C#N)CCCCC1	REAL300010915074	0	41	-1.0	-63.68	331.01	5.79	-57.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010915075	0	33	-1.0	-57.03	302.60	5.46	-51.57
COC1=CC(Br)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915076	0	35	-1.0	-52.78	327.31	4.79	-47.99
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN1C	REAL300010915077	0	41	-1.0	-49.33	357.98	5.80	-43.53
CN(CCCC(=O)[O-])S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010915078	0	44	-1.0	-56.18	385.84	5.91	-50.27
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300010915079	0	38	-1.0	-56.02	338.36	2.54	-53.48
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010915080	0	43	-1.0	-52.71	358.46	6.25	-46.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010915081	0	31	-1.0	-48.68	287.76	5.50	-43.18
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(Cl)=N1	REAL300010915082	0	33	-1.0	-53.39	299.67	3.92	-49.47
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915083	0	36	-1.0	-55.26	319.74	5.14	-50.12
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010915084	0	38	-1.0	-55.60	335.84	6.49	-49.11
CSC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300010915085	0	35	-1.0	-52.70	331.72	6.34	-46.36
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915086	0	33	-1.0	-52.61	315.80	5.24	-47.37
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915087	0	41	-1.0	-53.24	357.28	1.36	-51.88
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN=C1Cl	REAL300010915088	0	34	-1.0	-51.18	317.38	2.82	-48.36
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C21	REAL300010915089	0	40	-1.0	-58.88	352.44	5.83	-53.05
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010915090	0	46	-1.0	-57.05	390.27	5.30	-51.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010915091	0	30	-1.0	-54.46	295.79	4.56	-49.90
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915092	0	49	0.0	-85.49	392.81	6.07	-79.42
CC1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915093	0	37	-1.0	-50.13	324.71	6.25	-43.88
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915094	0	34	-1.0	-47.45	313.20	6.30	-41.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010915095	0	35	-1.0	-59.05	308.39	4.74	-54.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010915096	0	31	-1.0	-52.50	298.11	5.39	-47.11
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915097	0	39	-1.0	-52.14	326.39	5.31	-46.83
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300010915098	0	58	-1.0	-54.94	463.84	9.49	-45.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010915099	0	40	-1.0	-55.15	335.94	6.21	-48.94
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915100	0	45	-1.0	-59.16	392.61	6.05	-53.11
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010915101	0	32	-1.0	-54.37	302.51	5.52	-48.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010915102	0	34	-1.0	-56.63	320.47	3.93	-52.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010915103	0	46	-1.0	-54.29	376.36	5.99	-48.30
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010915104	0	37	-1.0	-48.48	341.53	7.65	-40.83
COC(=O)CCCCCS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915105	0	42	-1.0	-50.38	358.03	5.67	-44.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010915106	0	36	-1.0	-54.62	320.88	3.99	-50.63
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915107	0	39	-1.0	-58.79	344.30	3.04	-55.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010915109	0	34	-1.0	-50.80	332.58	6.34	-44.46
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915110	0	42	-1.0	-64.44	354.41	3.88	-60.56
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915111	0	36	-1.0	-53.31	327.61	6.41	-46.90
COC1=C(F)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915112	0	37	-1.0	-51.40	339.99	5.70	-45.70
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915113	0	41	-1.0	-55.32	367.21	4.22	-51.10
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010915114	0	42	-1.0	-62.99	375.42	6.68	-56.31
COC1=CC=C(CCS(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915115	0	41	-1.0	-50.08	348.99	5.62	-44.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010915116	0	46	-1.0	-60.26	393.32	6.30	-53.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010915117	0	34	-1.0	-56.65	314.44	3.76	-52.89
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010915118	0	42	-1.0	-50.98	355.37	6.15	-44.83
CC1=CC=NC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C12	REAL300010915119	0	39	-1.0	-54.18	328.57	6.50	-47.68
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(OC)C=C1Br	REAL300010915120	0	39	-1.0	-54.02	348.87	4.70	-49.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010915121	0	34	-1.0	-53.09	306.58	5.65	-47.44
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010915122	0	34	-1.0	-52.51	315.54	5.77	-46.74
CC1=CC(Br)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915123	0	34	-1.0	-52.93	319.22	6.15	-46.78
CSC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915124	0	35	-1.0	-54.82	302.86	5.50	-49.32
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300010915125	0	38	-1.0	-55.63	351.74	4.53	-51.10
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915126	0	42	-1.0	-72.20	360.99	4.73	-67.47
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010915127	0	43	-1.0	-61.10	371.02	4.74	-56.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010915128	0	37	-1.0	-55.19	357.58	2.95	-52.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010915129	0	39	-1.0	-53.70	345.95	6.16	-47.54
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915130	0	41	-1.0	-55.32	367.21	4.22	-51.10
CN(C)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915131	0	39	-1.0	-54.71	328.04	5.26	-49.45
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010915132	0	34	-1.0	-46.45	320.58	6.11	-40.34
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(OC)=C1	REAL300010915133	0	41	-1.0	-55.89	353.69	5.40	-50.49
COC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=CS1	REAL300010915134	0	37	-1.0	-50.75	316.75	5.48	-45.27
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1F	REAL300010915135	0	35	-1.0	-52.75	312.25	4.24	-48.51
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915136	0	42	-1.0	-56.51	350.60	4.87	-51.64
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915137	0	45	-1.0	-58.55	381.02	6.00	-52.55
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010915138	0	45	-1.0	-56.48	384.57	8.26	-48.22
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915139	0	39	-1.0	-62.25	350.53	7.22	-55.03
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010915140	0	31	-1.0	-50.45	312.91	5.85	-44.60
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010915141	0	43	0.0	-66.90	352.80	6.69	-60.21
CN(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915142	0	39	-1.0	-55.45	328.21	5.21	-50.24
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C2O1	REAL300010915143	0	46	-1.0	-52.20	398.09	7.47	-44.73
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915144	0	43	-1.0	-57.61	359.93	6.85	-50.76
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010915145	0	31	-1.0	-50.49	302.09	5.60	-44.89
CC1=C(Cl)SC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915146	0	31	-1.0	-52.05	306.09	5.05	-47.00
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010915147	0	37	-1.0	-56.13	322.85	5.34	-50.79
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915148	0	35	-1.0	-55.39	306.27	4.07	-51.32
CC1=CC=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010915149	0	39	-1.0	-55.79	322.26	7.48	-48.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010915150	0	37	-1.0	-56.17	338.11	6.61	-49.56
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010915151	0	41	-1.0	-49.63	353.70	7.32	-42.31
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915152	0	34	-1.0	-50.90	310.20	5.96	-44.94
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010915153	0	36	-1.0	-56.06	317.70	5.23	-50.83
CC1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915154	0	37	-1.0	-49.17	324.74	6.25	-42.92
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915155	0	39	-1.0	-56.60	332.26	6.82	-49.78
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010915156	0	31	-1.0	-52.67	300.94	5.74	-46.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010915157	0	33	-1.0	-58.49	323.89	7.40	-51.09
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010915158	0	41	-1.0	-49.63	353.70	7.32	-42.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010915159	0	30	-1.0	-50.07	294.26	3.54	-46.53
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010915160	0	31	-1.0	-50.74	312.64	5.95	-44.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010915161	0	42	-1.0	-53.05	373.01	4.69	-48.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010915162	0	31	-1.0	-52.71	297.30	5.27	-47.44
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915163	0	41	-1.0	-55.91	334.04	6.39	-49.52
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915164	0	37	-1.0	-56.35	335.83	5.55	-50.80
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915165	0	35	-1.0	-55.22	315.74	5.26	-49.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010915166	0	32	-1.0	-52.00	302.53	3.60	-48.40
CN(CCCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010915167	0	44	-1.0	-57.64	364.76	8.19	-49.45
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010915168	0	42	-1.0	-52.87	356.11	5.54	-47.33
CN(CCCC(=O)[O-])C(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010915169	0	48	-1.0	-56.08	366.90	10.63	-45.45
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C12	REAL300010915170	0	45	-1.0	-51.73	369.25	7.10	-44.63
COC1=CC=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915171	0	38	-1.0	-55.32	312.83	4.58	-50.74
COC(=O)C1=CN=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915172	0	36	-1.0	-53.31	324.37	3.63	-49.68
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010915173	0	32	-1.0	-52.30	317.02	5.76	-46.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010915174	0	33	-1.0	-50.47	323.44	6.20	-44.27
COC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300010915175	0	38	-1.0	-53.58	328.70	5.14	-48.44
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915176	0	37	-1.0	-46.80	348.75	5.57	-41.23
CN(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300010915177	0	38	-1.0	-55.41	325.29	4.69	-50.72
COC1=CC(Cl)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OC	REAL300010915178	0	39	-1.0	-53.49	341.54	4.37	-49.12
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010915179	0	35	-1.0	-53.97	322.00	4.51	-49.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010915180	0	34	-1.0	-52.23	320.84	5.93	-46.30
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300010915181	0	42	-1.0	-57.34	367.85	1.95	-55.39
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C2S1	REAL300010915182	0	43	-1.0	-53.31	389.00	7.83	-45.48
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010915183	0	37	-1.0	-64.93	336.16	4.79	-60.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010915184	0	36	-1.0	-59.85	333.28	0.48	-59.37
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915185	0	37	-1.0	-55.46	331.50	5.43	-50.03
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915186	0	39	-1.0	-60.23	344.73	6.41	-53.82
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(Br)=C1	REAL300010915187	0	35	-1.0	-52.73	314.67	4.56	-48.17
CC1=CC2=C(C=C1S(=O)(=O)N(C)CCCC(=O)[O-])OCO2	REAL300010915188	0	37	-1.0	-53.71	309.18	3.94	-49.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010915189	0	37	-1.0	-53.95	344.09	5.96	-47.99
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915190	0	37	-1.0	-49.78	320.24	6.05	-43.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010915191	0	31	-1.0	-50.60	299.56	5.67	-44.93
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915192	0	37	-1.0	-46.91	301.02	6.13	-40.78
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010915193	0	31	-1.0	-50.16	299.21	5.63	-44.53
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCCC(=O)[O-])OCC(=O)N2	REAL300010915194	0	41	-1.0	-57.46	349.67	1.96	-55.50
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010915195	0	33	-1.0	-50.74	321.20	5.94	-44.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010915196	0	33	-1.0	-50.19	317.47	5.82	-44.37
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010915197	0	31	-1.0	-44.97	298.41	5.97	-39.00
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010915198	0	32	-1.0	-58.42	297.38	3.33	-55.09
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010915199	0	31	-1.0	-53.91	297.80	5.32	-48.59
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OC	REAL300010915200	0	41	-1.0	-55.98	358.60	5.58	-50.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010915201	0	31	-1.0	-50.40	301.94	5.78	-44.62
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010915202	0	34	-1.0	-47.36	314.71	6.05	-41.31
CC(=O)NC1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915203	0	34	-1.0	-60.06	321.46	2.36	-57.70
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915203	1	33	-2.0	-94.60	318.18	1.23	-93.37
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010915204	0	34	-1.0	-47.28	319.28	6.15	-41.13
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010915205	0	35	-1.0	-59.00	327.77	2.16	-56.84
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915206	0	40	-1.0	-67.52	344.74	7.60	-59.92
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915207	0	39	-1.0	-61.53	337.15	3.00	-58.53
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010915208	0	35	-1.0	-58.86	332.33	2.26	-56.60
CCOC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915209	0	38	-1.0	-52.81	325.74	5.01	-47.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010915210	0	42	-1.0	-50.79	351.41	6.18	-44.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010915211	0	35	-1.0	-54.76	333.17	6.05	-48.71
COCCN(CCC#N)S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915212	0	40	-1.0	-56.33	343.69	3.44	-52.89
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915213	0	38	-1.0	-50.20	344.18	5.40	-44.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010915214	0	34	-1.0	-55.88	302.42	3.50	-52.38
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010915215	0	32	-1.0	-65.17	314.87	5.92	-59.25
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010915216	0	32	-1.0	-54.57	308.93	5.52	-49.05
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915217	0	37	-1.0	-52.07	322.37	6.35	-45.72
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915218	0	48	-1.0	-47.84	405.33	4.34	-43.50
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010915219	0	37	-1.0	-60.68	330.93	6.15	-54.53
COCCOCCOCCS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915220	0	45	-1.0	-51.80	382.71	2.14	-49.66
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915221	0	41	-1.0	-65.03	359.71	2.26	-62.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010915222	0	31	-1.0	-56.08	298.53	5.71	-50.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2CC1	REAL300010915223	0	48	-1.0	-55.83	387.12	6.74	-49.09
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(F)(F)F	REAL300010915224	0	40	-1.0	-54.39	361.46	6.33	-48.06
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300010915225	0	41	-1.0	-51.99	366.98	6.46	-45.53
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915226	0	40	-1.0	-53.60	346.14	7.34	-46.26
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915227	0	40	-1.0	-53.30	341.97	7.05	-46.25
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915228	0	41	-1.0	-62.61	356.25	3.89	-58.72
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915229	0	45	-1.0	-55.79	386.83	5.84	-49.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010915230	0	31	-1.0	-53.54	293.53	5.29	-48.25
CN(CCCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010915231	0	44	-1.0	-48.89	375.02	6.38	-42.51
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(F)C=C1Cl	REAL300010915232	0	40	-1.0	-52.16	365.90	6.74	-45.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010915233	0	33	-1.0	-55.56	320.68	6.59	-48.97
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010915234	0	40	-1.0	-66.08	337.15	2.07	-64.01
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915235	0	39	-1.0	-49.71	334.69	6.01	-43.70
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300010915236	0	42	-1.0	-55.59	368.61	4.64	-50.95
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(F)C=C1C	REAL300010915237	0	43	-1.0	-53.74	369.41	6.89	-46.85
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915238	0	45	-1.0	-60.73	388.06	3.06	-57.67
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915239	0	42	-1.0	-57.35	354.08	4.46	-52.89
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915240	0	44	-1.0	-59.57	375.53	6.32	-53.25
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1C	REAL300010915241	0	43	-1.0	-53.76	369.22	6.98	-46.78
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010915242	0	34	-1.0	-49.96	306.29	6.04	-43.92
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915243	0	43	-1.0	-51.06	373.19	7.15	-43.91
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915244	0	37	-1.0	-49.14	341.00	6.84	-42.30
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010915245	0	34	-1.0	-55.94	321.20	6.90	-49.04
CC(COC1CCCC1)CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915246	0	47	-1.0	-46.53	375.04	6.18	-40.35
CC1=C(CCS(=O)(=O)N(C)CCCC(=O)[O-])SC=N1	REAL300010915247	0	36	-1.0	-49.81	323.00	4.04	-45.77
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010915248	0	37	-1.0	-49.39	336.22	6.83	-42.56
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915249	0	40	-1.0	-57.10	353.39	6.34	-50.76
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010915250	0	41	-1.0	-49.47	348.58	8.20	-41.27
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915251	0	45	-1.0	-57.17	396.26	2.62	-54.55
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300010915252	0	34	-1.0	-50.64	314.77	6.10	-44.54
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN1C	REAL300010915253	0	43	-1.0	-48.98	376.97	5.98	-43.00
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010915254	0	37	-1.0	-61.02	347.04	2.80	-58.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010915255	0	35	-1.0	-56.44	324.00	5.72	-50.72
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010915256	0	34	-1.0	-55.78	311.29	5.76	-50.02
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915257	0	33	-1.0	-47.37	304.18	4.29	-43.08
CC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(Br)N1C	REAL300010915258	0	34	-1.0	-51.33	312.96	4.15	-47.18
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010915259	0	32	-1.0	-51.67	297.81	3.63	-48.04
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915260	0	44	-1.0	-62.31	368.66	5.70	-56.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010915261	0	34	-2.0	-96.32	315.70	4.50	-91.82
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010915261	1	35	-1.0	-56.52	317.60	3.80	-52.72
CCOC(=O)CC1(S(=O)(=O)N(C)CCCC(=O)[O-])CC1	REAL300010915262	0	40	-1.0	-51.66	333.14	5.94	-45.72
CN(CCCC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010915263	0	48	-1.0	-56.91	419.14	5.23	-51.68
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010915264	0	32	-1.0	-51.54	317.23	5.67	-45.87
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915265	0	42	-1.0	-57.40	368.86	4.28	-53.12
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010915266	0	46	-1.0	-54.79	389.45	7.69	-47.10
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915267	0	43	-1.0	-58.93	380.78	4.04	-54.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010915268	0	36	-1.0	-54.03	320.76	1.98	-52.05
COC(=O)C1(CS(=O)(=O)N(C)CCCC(=O)[O-])CCCC1	REAL300010915269	0	43	-1.0	-62.97	350.46	5.97	-57.00
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010915270	0	30	-1.0	-49.92	307.83	4.05	-45.87
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915271	0	38	-1.0	-54.29	348.92	5.06	-49.23
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010915272	0	37	-1.0	-51.47	330.95	6.38	-45.09
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010915273	0	42	-1.0	-48.66	379.77	8.15	-40.51
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915274	0	40	-1.0	-51.15	351.33	6.22	-44.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010915275	0	33	-1.0	-59.03	303.40	4.63	-54.40
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010915276	0	37	-1.0	-47.33	335.67	6.76	-40.57
COC(=O)C1(CS(=O)(=O)N(C)CCCC(=O)[O-])CCC1	REAL300010915277	0	40	-1.0	-63.19	334.87	5.30	-57.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010915278	0	31	-1.0	-51.87	309.08	5.06	-46.81
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010915279	0	35	-1.0	-54.79	322.69	5.84	-48.95
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1I	REAL300010915280	0	34	-1.0	-53.50	321.87	6.50	-47.00
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915281	0	44	-1.0	-59.21	386.97	5.19	-54.02
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915282	0	47	-1.0	-58.90	408.83	6.12	-52.78
COC(=O)C1(CS(=O)(=O)N(C)CCCC(=O)[O-])CCCCC1	REAL300010915283	0	46	-1.0	-61.85	362.19	6.39	-55.46
COC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN=C1C	REAL300010915284	0	39	-1.0	-52.19	342.77	4.20	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010915285	0	35	-1.0	-53.09	323.00	4.53	-48.56
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915286	0	40	-1.0	-53.11	369.89	6.96	-46.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010915287	0	32	-1.0	-52.95	303.23	5.30	-47.65
CN(CCCC(=O)[O-])S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010915288	0	47	-1.0	-55.91	407.34	6.69	-49.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010915289	0	33	-1.0	-50.65	318.56	4.40	-46.25
CN(CCCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300010915290	0	44	-1.0	-56.30	333.43	6.91	-49.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010915291	0	40	-1.0	-47.93	339.17	6.39	-41.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010915292	0	32	-1.0	-55.71	306.84	4.25	-51.46
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010915293	0	37	-1.0	-59.28	331.94	6.48	-52.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010915294	0	34	-1.0	-62.69	318.45	3.63	-59.06
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010915295	0	33	-1.0	-58.81	319.48	7.29	-51.52
COC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(F)C=C1C	REAL300010915296	0	40	-1.0	-53.99	347.55	5.96	-48.03
CC1=CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C2N=C1Cl	REAL300010915297	0	39	-1.0	-53.59	352.99	6.26	-47.33
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300010915298	0	40	-1.0	-54.64	329.74	6.03	-48.61
CN(CCCC(=O)[O-])S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010915299	0	41	-1.0	-50.03	353.52	5.59	-44.44
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C(C)C)=C1	REAL300010915300	0	58	-1.0	-47.95	431.57	10.63	-37.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010915301	0	36	-1.0	-51.77	325.20	6.39	-45.38
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915302	0	43	-1.0	-59.78	376.44	7.20	-52.58
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915303	0	36	-1.0	-67.71	316.98	4.73	-62.98
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915304	0	38	-1.0	-52.95	345.34	5.13	-47.82
COC1=CC=C2C=C(S(=O)(=O)N(C)CCCC(=O)[O-])CCC2=C1	REAL300010915305	0	43	-1.0	-50.92	354.23	6.36	-44.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010915306	0	39	-1.0	-54.01	337.65	5.79	-48.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010915307	0	34	-1.0	-53.68	312.68	5.33	-48.35
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010915308	0	34	-1.0	-50.17	323.57	6.78	-43.39
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915309	0	45	-1.0	-61.19	393.28	3.17	-58.02
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915309	1	44	-2.0	-98.72	390.04	3.25	-95.47
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010915310	0	34	-1.0	-46.44	325.00	6.21	-40.23
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010915311	0	40	-1.0	-56.41	358.68	3.05	-53.36
CC1=CC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C=C1	REAL300010915312	0	40	-1.0	-50.96	341.62	7.71	-43.25
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915313	0	40	-1.0	-53.63	351.72	6.36	-47.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010915314	0	46	-1.0	-62.73	398.73	5.38	-57.35
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915315	0	44	-1.0	-60.82	373.10	5.18	-55.64
CN(CCCC(=O)[O-])S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010915316	0	34	-1.0	-51.69	316.78	6.02	-45.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010915317	0	37	-1.0	-56.82	321.61	7.00	-49.82
CCC1=CC(CC)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(CC)=C1	REAL300010915318	0	49	-1.0	-47.42	377.57	9.18	-38.24
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300010915319	0	50	-1.0	-54.63	418.03	5.65	-48.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010915320	0	38	-1.0	-59.72	332.51	4.62	-55.10
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010915321	0	33	-1.0	-54.05	322.55	4.70	-49.35
COC1=CC(OC)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300010915322	0	39	-1.0	-52.41	344.38	4.62	-47.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010915323	0	39	-1.0	-55.35	347.67	3.43	-51.92
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010915324	0	36	-1.0	-60.91	328.63	-0.26	-61.17
CN(CCCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010915325	0	42	-1.0	-55.24	347.48	1.94	-53.30
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Cl	REAL300010915326	0	35	-1.0	-52.30	322.05	4.72	-47.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010915327	0	34	-1.0	-55.18	308.47	2.27	-52.91
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915328	0	44	-1.0	-60.23	372.73	5.99	-54.24
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010915329	0	40	-1.0	-54.40	343.56	7.70	-46.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010915330	0	35	-1.0	-53.33	315.16	5.08	-48.25
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010915331	0	35	-1.0	-53.18	325.49	5.53	-47.65
COC(=O)CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915332	0	40	-1.0	-58.14	358.92	6.35	-51.79
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915333	0	44	-1.0	-49.09	365.14	6.74	-42.35
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915334	0	35	-1.0	-55.63	305.41	4.81	-50.82
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010915335	0	34	-1.0	-45.78	332.77	6.59	-39.19
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010915336	0	34	-1.0	-47.19	331.42	6.61	-40.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010915337	0	34	-1.0	-51.43	314.00	3.89	-47.54
CCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915338	0	39	-1.0	-54.53	338.97	6.70	-47.83
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915339	0	47	-1.0	-56.48	375.16	7.05	-49.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010915340	0	38	-1.0	-55.95	351.94	7.24	-48.71
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010915341	0	38	-1.0	-61.84	342.02	6.78	-55.06
COC1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300010915342	0	34	-1.0	-51.30	319.76	2.10	-49.20
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915343	0	40	-1.0	-55.01	353.36	6.36	-48.65
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915344	0	40	-1.0	-54.27	370.00	6.51	-47.76
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010915345	0	34	-1.0	-56.91	316.49	6.13	-50.78
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Cl	REAL300010915346	0	34	-1.0	-51.71	311.99	5.96	-45.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010915347	0	37	-1.0	-50.71	322.51	5.78	-44.93
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)=N1	REAL300010915348	0	40	-1.0	-49.83	360.60	6.27	-43.56
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1F	REAL300010915349	0	37	-1.0	-56.17	346.43	5.89	-50.28
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915350	0	40	-1.0	-57.00	351.82	6.05	-50.95
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915351	0	38	-1.0	-54.26	328.46	5.05	-49.21
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915352	0	37	-1.0	-48.44	330.42	6.71	-41.73
CN(CCCC(=O)[O-])S(=O)(=O)CCCC1CCOCC1	REAL300010915353	0	44	-1.0	-47.26	352.91	4.87	-42.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010915354	0	46	-1.0	-53.93	391.14	2.67	-51.26
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010915355	0	39	-1.0	-51.16	322.44	6.14	-45.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010915356	0	38	-1.0	-61.61	341.62	2.72	-58.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010915357	0	31	-1.0	-50.94	299.11	5.43	-45.51
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])SC(Br)=C1	REAL300010915358	0	31	-1.0	-44.54	299.25	5.16	-39.38
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010915359	0	40	-1.0	-54.91	332.45	5.24	-49.67
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915360	0	41	-1.0	-50.49	350.13	3.76	-46.73
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010915361	0	37	-1.0	-48.33	325.89	6.39	-41.94
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1F	REAL300010915362	0	37	-1.0	-48.11	325.04	6.35	-41.76
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010915363	0	37	-1.0	-47.42	332.16	6.69	-40.73
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915364	0	35	-1.0	-52.64	326.01	5.41	-47.23
COC1=CC2=C(C=C1S(=O)(=O)N(C)CCCC(=O)[O-])C(=O)NCCC2	REAL300010915365	0	46	-1.0	-63.87	375.09	3.82	-60.05
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)CCCC(=O)[O-])S2)C1	REAL300010915366	0	42	-1.0	-59.14	366.33	5.30	-53.84
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010915367	0	38	-1.0	-50.55	344.30	7.23	-43.32
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1CCOC1	REAL300010915368	0	42	-1.0	-49.66	339.80	2.67	-46.99
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010915369	0	34	-1.0	-47.63	321.08	6.17	-41.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010915370	0	35	-1.0	-53.87	327.51	2.17	-51.70
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010915371	0	34	-1.0	-47.84	317.86	6.05	-41.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010915372	0	31	-1.0	-50.87	315.14	5.96	-44.91
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915373	0	38	-1.0	-63.56	333.04	2.26	-61.30
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915374	0	56	-1.0	-53.76	457.45	9.75	-44.01
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915375	0	46	-1.0	-53.37	384.24	7.13	-46.24
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915376	0	41	-1.0	-55.13	363.50	7.08	-48.05
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010915377	0	31	-1.0	-50.80	303.52	5.53	-45.27
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915378	0	37	-1.0	-56.35	335.83	5.55	-50.80
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010915379	0	45	-1.0	-49.76	382.56	7.86	-41.90
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010915380	0	45	-1.0	-54.67	394.00	8.22	-46.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1Br	REAL300010915381	0	30	-1.0	-49.92	289.13	3.70	-46.22
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C2)=N1	REAL300010915382	0	43	-1.0	-56.86	361.32	4.37	-52.49
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010915383	0	41	-1.0	-56.46	357.83	6.00	-50.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010915384	0	43	-1.0	-52.41	358.32	6.23	-46.18
COC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])N(C)N=C1	REAL300010915385	0	37	-1.0	-56.84	318.59	3.62	-53.22
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300010915386	0	39	-1.0	-53.77	358.42	3.76	-50.01
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C12	REAL300010915387	0	43	-1.0	-53.39	363.24	7.71	-45.68
COC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300010915388	0	42	-1.0	-58.01	362.23	4.06	-53.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1F	REAL300010915389	0	37	-1.0	-56.26	336.10	5.45	-50.81
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(Cl)C=C21	REAL300010915390	0	42	-1.0	-60.78	358.94	6.08	-54.70
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915391	0	44	-1.0	-54.47	366.55	6.53	-47.94
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1CCCC1	REAL300010915392	0	44	-1.0	-55.86	353.37	5.21	-50.65
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1CCCCC1	REAL300010915393	0	47	-1.0	-56.30	367.69	5.91	-50.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010915394	0	34	-1.0	-50.88	314.71	4.27	-46.61
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300010915395	0	50	-1.0	-53.33	407.97	7.92	-45.41
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010915396	0	34	-1.0	-63.15	325.98	4.67	-58.48
COC1=CC(F)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915397	0	35	-1.0	-53.76	305.41	4.80	-48.96
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010915398	0	39	-1.0	-54.36	331.60	6.85	-47.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010915399	0	38	-1.0	-51.86	319.19	4.64	-47.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010915400	0	44	-1.0	-49.29	372.09	7.00	-42.29
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])O1	REAL300010915401	0	37	-1.0	-54.27	333.95	4.24	-50.03
CCC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN1CC1CC1	REAL300010915402	0	44	-1.0	-58.81	370.63	6.66	-52.15
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915403	0	37	-1.0	-62.55	343.64	7.17	-55.38
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C1	REAL300010915404	0	42	-1.0	-59.81	360.31	5.37	-54.44
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010915405	0	34	-1.0	-50.28	319.57	3.45	-46.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010915406	0	42	-1.0	-48.45	375.01	8.89	-39.56
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915407	0	34	-1.0	-50.81	310.21	5.95	-44.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010915408	0	41	-1.0	-57.21	336.08	8.00	-49.21
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010915409	0	51	-1.0	-53.91	429.57	9.66	-44.25
CC1=CC=C(Br)C(CS(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915410	0	37	-1.0	-48.31	336.12	6.77	-41.54
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915411	0	38	-1.0	-57.68	344.65	5.54	-52.14
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010915412	0	37	-1.0	-58.01	331.90	6.44	-51.57
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1F	REAL300010915413	0	34	-1.0	-56.20	303.43	5.47	-50.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010915414	0	30	-1.0	-51.45	296.02	3.45	-48.00
CC(C)OC1=CN=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915415	0	40	-1.0	-47.56	338.95	3.83	-43.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010915416	0	37	-1.0	-52.46	330.33	3.29	-49.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010915417	0	38	-1.0	-53.84	352.06	4.16	-49.68
COC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])OC=C1	REAL300010915418	0	34	-1.0	-60.89	309.89	4.23	-56.66
CCC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C)C=C1OC	REAL300010915419	0	44	-1.0	-53.56	354.38	6.07	-47.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010915420	0	37	-1.0	-51.96	348.32	6.70	-45.26
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915421	0	39	-1.0	-57.42	346.29	5.84	-51.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010915422	0	33	-1.0	-55.59	304.95	3.76	-51.83
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915423	0	34	-1.0	-50.75	319.33	6.36	-44.39
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010915424	0	40	-1.0	-50.00	321.09	7.71	-42.29
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010915425	0	38	-1.0	-50.89	337.90	4.74	-46.15
CC1=CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C2NC1=O	REAL300010915426	0	40	-1.0	-51.21	345.41	4.52	-46.69
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010915427	0	36	-1.0	-49.31	318.24	3.24	-46.07
CC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010915428	0	40	-1.0	-57.52	361.34	6.32	-51.20
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010915429	0	31	-1.0	-55.78	283.27	1.99	-53.79
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010915430	0	36	-1.0	-52.20	321.01	5.95	-46.25
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010915431	0	37	-1.0	-51.12	333.28	6.24	-44.88
CN(CCCC(=O)[O-])S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010915432	0	48	0.0	-81.40	377.80	4.11	-77.29
CN(CCCC(=O)[O-])S(=O)(=O)CCCN1CCN(C)CC1	REAL300010915432	1	47	-1.0	-57.13	373.74	1.61	-55.52
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010915433	0	31	-1.0	-52.52	292.65	2.75	-49.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010915434	0	31	-1.0	-51.64	298.13	3.22	-48.42
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915435	0	35	-1.0	-50.73	304.86	5.71	-45.02
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300010915436	0	40	-1.0	-52.34	345.69	3.41	-48.93
CCCCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=N1	REAL300010915437	0	43	-1.0	-49.82	366.96	5.60	-44.22
COC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(OC)C=C1F	REAL300010915438	0	41	-1.0	-55.65	358.20	5.44	-50.21
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915439	0	41	-1.0	-65.49	351.74	5.84	-59.65
COC1=C(F)C=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915440	0	35	-1.0	-53.73	307.16	4.94	-48.79
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300010915441	0	47	-1.0	-53.73	386.48	7.12	-46.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010915442	0	43	-1.0	-53.48	354.74	7.12	-46.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010915443	0	32	-1.0	-53.05	304.36	5.28	-47.77
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010915444	0	34	-1.0	-45.85	317.87	6.05	-39.80
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010915445	0	50	-1.0	-57.01	401.63	9.42	-47.59
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915446	0	36	-1.0	-57.62	336.36	4.89	-52.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)NC=N1	REAL300010915447	0	28	-1.0	-50.92	277.07	2.82	-48.10
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010915448	0	39	-1.0	-60.56	344.62	5.74	-54.82
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010915449	0	30	-1.0	-50.77	293.95	3.79	-46.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010915450	0	30	-1.0	-54.02	288.77	3.31	-50.71
COC1=NC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915451	0	34	-1.0	-48.41	318.04	2.74	-45.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010915452	0	36	-1.0	-55.11	332.01	5.72	-49.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010915453	0	33	-1.0	-52.57	316.27	4.74	-47.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010915454	0	41	-1.0	-50.49	357.27	6.42	-44.07
CN(CCCC(=O)[O-])S(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010915455	0	34	-1.0	-47.78	315.96	5.65	-42.13
CN(CCCC(=O)[O-])S(=O)(=O)CC1=C(Br)SC=N1	REAL300010915456	0	30	-1.0	-50.03	302.49	3.19	-46.84
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010915457	0	33	-1.0	-52.97	330.02	4.96	-48.01
CCS(=O)(CC)=NS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915458	0	37	-1.0	-58.98	321.02	2.47	-56.51
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010915459	0	33	-1.0	-64.19	312.91	6.19	-58.00
CN(CCCC(=O)[O-])S(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010915460	0	39	-1.0	-57.66	328.69	4.25	-53.41
CCOC(=O)C1(S(=O)(=O)N(C)CCCC(=O)[O-])CCC1	REAL300010915461	0	40	-1.0	-53.86	338.95	5.86	-48.00
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010915462	0	42	-1.0	-51.59	359.84	1.40	-50.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010915463	0	32	-1.0	-52.22	321.68	3.97	-48.25
COC(=O)C1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915464	0	40	-1.0	-59.93	354.58	6.28	-53.65
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010915465	0	34	-1.0	-51.49	319.68	5.87	-45.62
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010915466	0	34	-1.0	-52.38	301.31	3.16	-49.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010915467	0	41	-1.0	-52.73	330.65	4.72	-48.01
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010915468	0	28	-1.0	-52.68	277.54	4.17	-48.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010915469	0	43	-1.0	-50.22	349.00	5.24	-44.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010915470	0	41	-1.0	-53.62	343.94	5.22	-48.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010915471	0	34	-1.0	-50.34	303.84	3.60	-46.74
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1Br	REAL300010915472	0	31	-1.0	-55.99	294.55	2.84	-53.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010915473	0	33	-1.0	-54.29	311.25	3.94	-50.35
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915474	0	38	-1.0	-50.89	332.56	4.97	-45.92
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010915475	0	45	-1.0	-60.31	380.30	6.01	-54.30
C=CCCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915476	0	41	-1.0	-54.14	354.32	7.61	-46.53
COC(=O)C1=CNN=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915477	0	34	-1.0	-64.61	308.78	2.42	-62.19
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915478	0	34	-1.0	-50.62	319.33	6.36	-44.26
CC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915479	0	36	-1.0	-57.51	322.32	5.35	-52.16
CN(CCCC(=O)[O-])S(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010915480	0	40	-1.0	-64.33	340.16	2.89	-61.44
CCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300010915481	0	53	-1.0	-52.84	429.47	8.70	-44.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010915482	0	34	-1.0	-53.11	313.19	5.77	-47.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010915483	0	42	-1.0	-57.33	357.40	5.27	-52.06
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010915484	0	35	-1.0	-53.67	325.15	6.57	-47.10
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)(C)C	REAL300010915485	0	53	-1.0	-48.35	418.39	8.50	-39.85
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1CC	REAL300010915486	0	47	-1.0	-52.97	391.06	7.38	-45.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010915487	0	38	-1.0	-59.47	340.86	6.78	-52.69
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915488	0	37	-1.0	-46.53	311.35	6.57	-39.96
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915489	0	45	-1.0	-63.94	371.05	4.60	-59.34
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010915490	0	34	-1.0	-47.45	329.52	6.55	-40.90
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010915491	0	34	-1.0	-47.88	320.40	6.14	-41.74
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010915492	0	41	-1.0	-63.00	358.12	6.82	-56.18
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915493	0	37	-1.0	-46.53	335.07	6.73	-39.80
CC1=CN=C(Cl)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915494	0	33	-1.0	-54.27	298.69	3.95	-50.32
COC1=CC=C(Br)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1F	REAL300010915495	0	35	-1.0	-58.44	325.05	5.11	-53.33
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915496	0	41	-1.0	-47.46	348.79	7.13	-40.33
CCOC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])N(C)N=C1	REAL300010915497	0	40	-1.0	-56.64	340.45	4.55	-52.09
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010915498	0	35	-1.0	-49.95	322.76	6.48	-43.47
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300010915499	0	36	-1.0	-57.90	311.20	1.83	-56.07
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C(C(N)=O)O1	REAL300010915500	0	35	-1.0	-55.99	309.27	0.27	-55.72
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(=O)OC	REAL300010915501	0	43	-1.0	-58.84	382.22	6.50	-52.34
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915502	0	44	-1.0	-54.92	379.58	5.79	-49.13
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010915503	0	40	-1.0	-50.66	336.36	5.54	-45.12
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)F	REAL300010915504	0	31	-1.0	-57.32	294.28	4.84	-52.48
COC(=O)C1=CC=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915505	0	36	-1.0	-59.34	328.12	3.60	-55.74
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010915506	0	37	-1.0	-50.33	325.90	6.39	-43.94
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915507	0	47	-1.0	-54.86	390.65	7.64	-47.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010915508	0	36	-1.0	-56.78	306.46	5.04	-51.74
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C21	REAL300010915509	0	51	-1.0	-60.16	401.96	7.28	-52.88
COC(=O)C1=CN(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915510	0	38	-1.0	-57.76	337.90	5.11	-52.65
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010915511	0	45	-1.0	-50.50	369.92	4.87	-45.63
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C21	REAL300010915513	0	45	-1.0	-65.75	375.23	6.73	-59.02
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010915514	0	38	-2.0	-101.70	318.76	4.42	-97.28
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)C=C1	REAL300010915515	0	46	-1.0	-50.24	403.27	8.65	-41.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010915516	0	38	-1.0	-55.21	326.41	4.54	-50.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300010915517	0	38	-1.0	-49.54	322.09	4.69	-44.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010915518	0	41	-1.0	-54.40	347.32	5.42	-48.98
COC(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300010915519	0	43	-1.0	-54.65	359.80	7.31	-47.34
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915520	0	44	-1.0	-60.05	375.30	6.30	-53.75
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915521	0	41	-1.0	-66.16	350.47	5.84	-60.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010915522	0	42	-1.0	-57.20	349.26	2.93	-54.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010915523	0	37	-1.0	-53.85	343.35	5.77	-48.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010915524	0	37	-1.0	-56.60	327.24	2.09	-54.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=CO1	REAL300010915525	0	28	-1.0	-54.27	278.27	3.55	-50.72
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300010915526	0	38	-1.0	-53.73	315.94	4.82	-48.91
COC1=C(F)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915527	0	35	-1.0	-51.48	322.40	4.41	-47.07
COC1=CC(F)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300010915528	0	35	-1.0	-53.43	312.48	4.14	-49.29
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300010915529	0	56	-1.0	-53.22	450.97	9.48	-43.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300010915530	0	47	-1.0	-54.87	371.00	6.49	-48.38
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915531	0	41	-1.0	-55.91	344.04	6.31	-49.60
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300010915532	0	54	-1.0	-55.55	441.96	7.34	-48.21
CC1CC2=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2O1	REAL300010915533	0	39	-1.0	-58.11	329.68	5.57	-52.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010915534	0	39	-1.0	-52.49	345.18	4.53	-47.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010915535	0	39	-1.0	-59.75	345.36	7.03	-52.72
COC1=C(F)C=CC(F)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915536	0	35	-1.0	-54.10	312.16	5.53	-48.57
CC1=C(Br)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C)S1	REAL300010915537	0	34	-1.0	-45.05	311.66	5.93	-39.12
CC1=CC(Cl)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(Br)=C1	REAL300010915538	0	34	-1.0	-53.79	321.70	6.86	-46.93
COC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=N1	REAL300010915539	0	36	-1.0	-54.96	327.45	3.71	-51.25
COC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1Br	REAL300010915540	0	37	-1.0	-56.00	335.86	5.81	-50.19
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C21	REAL300010915541	0	48	-1.0	-63.70	386.02	6.94	-56.76
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010915542	0	37	-1.0	-51.45	324.68	5.33	-46.12
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C21	REAL300010915543	0	45	-1.0	-64.44	375.94	6.48	-57.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=NN1C	REAL300010915544	0	31	-1.0	-49.72	299.92	2.96	-46.76
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010915545	0	33	-1.0	-48.17	308.32	3.94	-44.23
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915546	0	36	-1.0	-62.95	317.20	4.48	-58.47
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010915547	0	35	-1.0	-49.62	326.25	5.25	-44.37
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010915548	0	34	-1.0	-63.65	321.42	4.57	-59.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010915549	0	34	-1.0	-52.64	313.16	6.22	-46.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010915550	0	38	-1.0	-50.70	325.52	4.56	-46.14
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1F	REAL300010915551	0	40	-1.0	-52.33	323.23	6.87	-45.46
COC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300010915552	0	39	-1.0	-55.57	330.17	4.68	-50.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010915553	0	40	-1.0	-61.37	344.84	2.09	-59.28
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010915554	0	32	-1.0	-53.99	317.04	5.76	-48.23
COC1=CC=C(F)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300010915555	0	39	-1.0	-56.41	335.16	5.19	-51.22
COC(=O)C1=C(Br)OC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915556	0	34	-1.0	-52.59	335.15	4.25	-48.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010915557	0	28	-1.0	-51.71	296.66	5.06	-46.65
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010915558	0	44	-1.0	-51.90	358.53	5.59	-46.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010915559	0	35	-1.0	-57.51	325.99	6.72	-50.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010915560	0	38	-1.0	-52.34	325.00	4.55	-47.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010915561	0	33	-2.0	-99.84	305.20	5.33	-94.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010915562	0	35	-1.0	-50.20	313.63	4.37	-45.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010915563	0	35	-1.0	-58.70	326.46	5.28	-53.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010915564	0	34	-1.0	-58.73	306.32	4.03	-54.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010915565	0	36	-1.0	-65.26	317.38	3.39	-61.87
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010915566	0	31	-2.0	-95.23	309.71	4.56	-90.67
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300010915567	0	37	-1.0	-48.67	322.59	6.50	-42.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010915568	0	37	-1.0	-53.95	345.33	5.96	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010915569	0	34	-1.0	-54.52	305.86	5.07	-49.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010915570	0	41	-1.0	-54.84	343.52	5.07	-49.77
CN(CCCC(=O)[O-])S(=O)(=O)NCCC1=CC=CC=C1	REAL300010915571	0	39	-1.0	-53.92	336.86	4.88	-49.04
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915572	0	49	-1.0	-54.48	381.61	8.34	-46.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010915573	0	37	-1.0	-51.11	345.59	6.66	-44.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010915574	0	41	-1.0	-54.38	350.50	5.52	-48.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010915575	0	35	-1.0	-47.14	307.07	5.82	-41.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010915576	0	42	-1.0	-56.03	369.09	7.76	-48.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010915577	0	44	-1.0	-57.01	364.17	3.19	-53.82
COC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010915578	0	40	-1.0	-55.93	337.81	6.05	-49.88
COC(=O)C1=NN(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915579	0	37	-1.0	-54.31	334.22	3.17	-51.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010915580	0	32	-1.0	-55.24	294.03	4.97	-50.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300010915581	0	38	-1.0	-53.30	320.99	4.44	-48.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010915582	0	35	-1.0	-51.30	332.97	6.21	-45.09
COC(=O)C1=CC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C=C1	REAL300010915583	0	43	-1.0	-50.49	375.01	7.68	-42.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010915584	0	40	-1.0	-55.14	363.40	7.37	-47.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010915585	0	40	-1.0	-53.92	326.13	4.64	-49.28
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010915586	0	40	-1.0	-54.74	341.61	4.55	-50.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300010915587	0	38	-1.0	-50.69	318.59	3.77	-46.92
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010915588	0	36	-1.0	-51.31	327.43	4.68	-46.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010915589	0	34	-1.0	-51.03	322.25	5.89	-45.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010915590	0	31	-1.0	-47.18	299.53	5.19	-41.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010915591	0	31	-1.0	-49.62	306.38	4.91	-44.71
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)CC1	REAL300010915592	0	36	-1.0	-47.15	305.33	4.12	-43.03
CC(=O)NCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915593	0	41	-1.0	-58.02	359.30	3.85	-54.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)O1	REAL300010915594	0	28	-1.0	-52.90	280.89	3.60	-49.30
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010915595	0	34	-1.0	-51.68	328.42	6.29	-45.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010915596	0	34	-1.0	-63.18	299.88	6.28	-56.90
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915597	0	42	-1.0	-59.61	361.10	6.90	-52.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010915598	0	42	-1.0	-54.73	345.08	7.96	-46.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010915599	0	41	-1.0	-58.58	356.75	6.55	-52.03
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010915600	0	37	-1.0	-54.08	339.53	5.86	-48.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010915601	0	36	-1.0	-55.00	329.50	5.42	-49.58
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300010915602	0	38	-1.0	-54.11	327.27	3.17	-50.94
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915603	0	41	-1.0	-53.27	373.32	5.60	-47.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010915604	0	31	-1.0	-51.83	303.04	5.76	-46.07
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010915605	0	31	-1.0	-58.12	298.18	5.06	-53.06
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010915606	0	34	-1.0	-56.02	310.78	6.44	-49.58
COC(=O)C1=C(C)SC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915607	0	37	-1.0	-53.44	343.29	5.17	-48.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010915608	0	38	-1.0	-54.77	326.03	6.88	-47.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010915609	0	33	-1.0	-51.48	330.89	5.09	-46.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010915610	0	41	-1.0	-52.09	341.32	5.47	-46.62
CCC(C)N1N=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915611	0	40	-1.0	-49.34	333.48	4.63	-44.71
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915612	0	40	-1.0	-62.27	348.33	2.34	-59.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010915613	0	34	-1.0	-59.63	330.45	1.36	-58.27
CNC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915614	0	40	-1.0	-62.27	348.33	2.34	-59.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010915615	0	34	-1.0	-60.49	304.78	6.38	-54.11
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915616	0	43	-1.0	-67.55	368.86	9.05	-58.50
CN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300010915617	0	45	-1.0	-45.55	342.72	5.76	-39.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010915618	0	31	-1.0	-53.13	300.36	4.09	-49.04
COC1=CC(F)=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915619	0	35	-1.0	-52.85	311.71	4.86	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010915620	0	45	-1.0	-55.24	369.06	3.80	-51.44
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010915621	0	37	-1.0	-53.87	327.59	6.31	-47.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010915622	0	35	-1.0	-54.74	315.77	4.45	-50.29
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010915623	0	46	-1.0	-46.54	368.77	7.38	-39.16
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C12	REAL300010915624	0	42	-1.0	-62.29	343.18	6.96	-55.33
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010915625	0	39	-1.0	-45.47	330.37	4.89	-40.58
CCOCC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915626	0	41	-1.0	-49.87	351.30	5.47	-44.40
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915627	0	40	-1.0	-58.17	359.29	7.06	-51.11
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010915628	0	34	-1.0	-54.11	335.79	6.87	-47.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010915629	0	41	-1.0	-53.45	357.63	6.02	-47.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010915630	0	44	-1.0	-54.53	362.90	5.80	-48.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010915631	0	34	-1.0	-50.08	326.07	6.89	-43.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010915632	0	42	-1.0	-49.87	363.06	7.63	-42.24
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915633	0	43	-1.0	-60.35	365.23	7.60	-52.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010915635	0	36	-1.0	-53.82	336.04	6.30	-47.52
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010915637	0	32	-1.0	-56.69	297.54	5.07	-51.62
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010915639	0	37	-1.0	-55.38	352.29	6.12	-49.26
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010915640	0	30	-1.0	-50.07	294.15	3.50	-46.57
CN(CCCC(=O)[O-])S(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010915641	0	43	-1.0	-58.50	360.12	2.62	-55.88
CCN1N=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1Cl	REAL300010915642	0	34	-1.0	-52.45	312.15	3.58	-48.87
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010915643	0	35	-1.0	-49.91	326.77	6.57	-43.34
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2	REAL300010915644	0	37	-1.0	-53.57	361.61	6.08	-47.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010915645	0	31	-1.0	-46.66	302.89	5.65	-41.01
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010915646	0	33	-1.0	-54.22	312.41	3.99	-50.23
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010915647	0	36	-1.0	-60.28	330.11	5.93	-54.35
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010915648	0	36	-1.0	-57.71	323.04	5.54	-52.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010915649	0	33	-1.0	-54.22	312.41	3.99	-50.23
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010915650	0	34	-1.0	-54.11	335.79	6.87	-47.24
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300010915651	0	40	-1.0	-53.37	333.54	7.78	-45.59
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915652	0	35	-1.0	-58.73	328.02	5.84	-52.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010915653	0	38	-1.0	-56.89	335.04	5.19	-51.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010915654	0	45	-1.0	-49.61	379.00	6.30	-43.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010915655	0	31	-1.0	-53.12	298.83	5.32	-47.80
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])O1	REAL300010915656	0	37	-1.0	-62.10	340.13	1.17	-60.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010915657	0	41	-1.0	-63.02	355.63	6.15	-56.87
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010915658	0	37	-1.0	-57.47	347.95	2.27	-55.20
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010915659	0	35	-1.0	-47.67	314.92	6.12	-41.55
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010915660	0	35	-1.0	-53.65	329.71	6.67	-46.98
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010915661	0	35	-1.0	-47.38	329.80	6.68	-40.70
CN(CCCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300010915662	0	36	-1.0	-52.66	317.42	-1.22	-53.88
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010915663	0	33	-1.0	-49.77	305.33	4.19	-45.58
CC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010915664	0	40	-1.0	-57.86	352.56	3.84	-54.02
CN(CCCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010915665	0	48	-1.0	-56.76	353.01	7.78	-48.98
CN(CCCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010915666	0	39	-1.0	-49.78	313.22	5.27	-44.51
CN(CCCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300010915667	0	39	-1.0	-59.53	344.71	1.63	-57.90
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300010915668	0	44	-1.0	-57.96	350.28	5.24	-52.72
CCOC(=O)C1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2C=CC=CN12	REAL300010915669	0	43	-1.0	-60.27	379.08	6.56	-53.71
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010915670	0	35	-1.0	-51.13	322.21	3.86	-47.27
COC(=O)C1=CN2C=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2C=C1	REAL300010915671	0	40	-1.0	-58.58	357.92	6.74	-51.84
CN(CCCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010915672	0	41	-1.0	-47.55	356.16	7.68	-39.87
CN(CCCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010915673	0	40	-1.0	-61.32	329.31	2.30	-59.02
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915674	0	40	-1.0	-63.22	348.95	5.77	-57.45
CN(CCCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010915675	0	44	-1.0	-47.07	342.00	6.83	-40.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010915676	0	35	-1.0	-47.70	318.68	6.12	-41.58
COC(=O)C1CCCCN1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915677	0	42	-1.0	-48.05	332.31	5.41	-42.64
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010915678	0	53	-1.0	-53.82	406.10	9.03	-44.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010915679	0	34	-1.0	-55.85	321.96	5.68	-50.17
COC1=CC=C(C=C(C)S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915680	0	42	-1.0	-49.60	351.88	5.85	-43.75
CC1=CC=CC(CNS(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915681	0	39	-1.0	-53.84	336.78	4.77	-49.07
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=NN1	REAL300010915682	0	37	-1.0	-54.68	336.71	2.68	-52.00
CCOC(=O)C1=N[N-]C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915682	1	36	-2.0	-106.50	331.71	2.48	-104.02
CCOC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=N[N-]1	REAL300010915682	1	36	-2.0	-106.41	331.81	2.48	-103.93
COC1=CSC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300010915683	0	36	-1.0	-48.29	323.69	2.75	-45.54
COC(=O)C1=C(Cl)OC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915684	0	34	-1.0	-52.71	331.07	4.14	-48.57
CN(CCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010915685	0	43	-1.0	-46.36	332.02	5.16	-41.20
CN(CCCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010915686	0	42	-1.0	-55.37	356.37	6.76	-48.61
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915687	0	35	-1.0	-53.07	326.40	6.11	-46.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010915688	0	35	-1.0	-60.21	327.43	5.78	-54.43
COC1=CC(F)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300010915689	0	35	-1.0	-50.31	311.06	4.33	-45.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010915690	0	35	-1.0	-56.01	322.00	4.51	-51.50
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010915691	0	37	-1.0	-53.36	315.41	4.63	-48.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010915692	0	34	-1.0	-46.49	303.42	6.06	-40.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010915693	0	40	-1.0	-53.93	355.38	5.35	-48.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010915694	0	28	-1.0	-49.49	301.58	4.96	-44.53
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915695	0	44	-1.0	-56.08	366.79	7.13	-48.95
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010915696	0	48	-1.0	-51.51	392.71	6.70	-44.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010915697	0	34	-1.0	-51.23	332.75	6.30	-44.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010915698	0	36	-1.0	-56.29	328.57	5.46	-50.83
COC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915699	0	39	-1.0	-61.95	333.62	4.25	-57.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(I)C=CS1	REAL300010915700	0	28	-1.0	-45.20	289.23	4.77	-40.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010915701	0	42	-1.0	-49.04	364.80	7.70	-41.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010915702	0	37	-1.0	-64.23	316.33	6.81	-57.42
COC(=O)C1=CNN=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915703	0	34	-1.0	-64.61	308.78	2.42	-62.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010915704	0	36	-1.0	-47.23	329.29	3.37	-43.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010915705	0	32	-1.0	-55.71	314.11	3.82	-51.89
CC1=CC(Cl)=NC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915706	0	33	-1.0	-51.72	295.97	3.93	-47.79
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915707	0	42	-1.0	-53.78	358.05	6.41	-47.37
CCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C2CC2)=N1	REAL300010915708	0	41	-1.0	-52.05	346.53	5.41	-46.64
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NSN=C2C=C1	REAL300010915709	0	35	-1.0	-54.71	305.96	3.94	-50.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010915710	0	37	-1.0	-48.38	336.96	7.55	-40.83
CC(=O)OC1CCN(S(=O)(=O)N(C)CCCC(=O)[O-])C1	REAL300010915711	0	39	-1.0	-56.17	336.30	4.04	-52.13
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010915712	0	41	-1.0	-53.12	367.44	8.80	-44.32
COC(=O)C1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C(Cl)S1	REAL300010915713	0	34	-1.0	-60.16	334.96	5.83	-54.33
CCC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300010915714	0	37	-1.0	-51.47	335.55	6.74	-44.73
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915715	0	44	-1.0	-50.88	359.29	5.91	-44.97
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915716	0	45	-1.0	-57.40	375.58	5.24	-52.16
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010915717	0	37	-1.0	-54.16	328.51	7.45	-46.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300010915718	0	39	-1.0	-53.18	319.51	2.31	-50.87
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010915719	0	37	-1.0	-54.03	341.35	4.69	-49.34
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915720	0	45	-1.0	-48.41	381.86	5.17	-43.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010915721	0	46	-1.0	-54.37	379.00	5.20	-49.17
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915722	0	34	-1.0	-48.43	313.46	2.62	-45.81
COC1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300010915723	0	37	-1.0	-52.35	323.82	2.27	-50.08
CC(C)CN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300010915724	0	40	-1.0	-56.02	343.93	4.96	-51.06
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915725	0	40	-1.0	-54.48	335.53	4.44	-50.04
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010915726	0	30	-1.0	-53.85	304.45	2.82	-51.03
CN(CCCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010915727	0	41	-1.0	-52.09	339.10	2.69	-49.40
COCC1=CC(CS(=O)(=O)N(C)CCCC(=O)[O-])=NO1	REAL300010915728	0	37	-1.0	-54.40	328.57	2.70	-51.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010915729	0	34	-1.0	-63.15	325.98	4.67	-58.48
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010915730	0	29	-1.0	-49.20	288.67	2.77	-46.43
CC(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915731	0	35	-1.0	-62.13	324.64	2.90	-59.23
CC1=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C)S1	REAL300010915732	0	37	-1.0	-47.34	308.05	5.89	-41.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(I)S1	REAL300010915733	0	28	-1.0	-51.71	296.66	5.06	-46.65
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915734	0	35	-1.0	-55.18	320.30	5.36	-49.82
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010915735	0	33	-1.0	-54.27	312.41	3.95	-50.32
COC1=NC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1Cl	REAL300010915736	0	34	-1.0	-53.44	308.93	1.90	-51.54
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915737	0	40	-1.0	-61.28	359.71	3.85	-57.43
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300010915737	1	39	-2.0	-95.89	356.42	2.73	-93.16
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915738	0	38	-1.0	-60.89	334.10	2.74	-58.15
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010915739	0	35	-1.0	-47.71	339.47	6.99	-40.72
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010915740	0	36	-1.0	-55.68	332.90	7.05	-48.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010915741	0	30	-1.0	-48.79	296.29	3.79	-45.00
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010915742	0	42	-1.0	-54.60	348.91	5.26	-49.34
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CN=C12	REAL300010915743	0	39	-1.0	-55.57	326.21	5.82	-49.75
COC(=O)C1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300010915744	0	39	-1.0	-52.78	343.28	4.23	-48.55
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010915745	0	34	-1.0	-65.84	317.66	7.13	-58.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300010915746	0	38	-1.0	-51.90	322.37	4.95	-46.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010915747	0	38	-1.0	-59.00	332.78	5.92	-53.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010915748	0	33	-1.0	-56.62	304.70	3.81	-52.81
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=NN1C(C)C	REAL300010915749	0	40	-1.0	-57.61	335.13	4.55	-53.06
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010915750	0	38	-1.0	-55.05	336.37	7.06	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010915751	0	33	-1.0	-51.19	301.75	3.81	-47.38
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=C1NCCC2	REAL300010915752	0	43	-1.0	-56.98	347.19	5.87	-51.11
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300010915753	0	45	-1.0	-53.65	385.31	8.44	-45.21
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010915754	0	38	-1.0	-49.44	335.90	7.02	-42.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1Br	REAL300010915755	0	28	-1.0	-52.68	277.54	4.17	-48.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010915756	0	35	-1.0	-49.65	321.68	5.15	-44.50
CC1=CC(Br)=NC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915757	0	33	-1.0	-51.74	300.57	4.01	-47.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010915758	0	36	-1.0	-59.33	310.97	5.29	-54.04
CC1=CC=C(I)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915759	0	34	-1.0	-54.30	311.07	6.44	-47.86
COC(=O)CC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915760	0	40	-1.0	-60.47	343.46	6.68	-53.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010915761	0	42	-1.0	-55.00	360.73	8.98	-46.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010915762	0	34	-1.0	-55.33	308.97	5.64	-49.69
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=CC(Br)=C1	REAL300010915763	0	30	-1.0	-46.91	290.75	3.59	-43.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010915764	0	33	-1.0	-50.40	300.98	4.29	-46.11
CN(CCCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300010915765	0	34	-1.0	-53.09	307.92	4.57	-48.52
CN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010915766	0	39	-1.0	-51.07	330.86	0.55	-50.52
CC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300010915767	0	33	-1.0	-54.45	312.10	4.10	-50.35
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010915768	0	30	-1.0	-46.02	298.43	4.06	-41.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010915769	0	35	-1.0	-62.50	324.40	4.14	-58.36
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010915770	0	35	-1.0	-47.67	314.92	6.12	-41.55
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010915771	0	35	-1.0	-47.42	325.24	6.57	-40.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010915772	0	40	-1.0	-60.33	356.60	4.43	-55.90
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010915773	0	38	-1.0	-61.76	332.30	7.24	-54.52
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(Cl)=C1Cl	REAL300010915774	0	34	-1.0	-52.44	316.74	6.20	-46.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010915775	0	35	-1.0	-51.79	322.77	4.56	-47.23
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C(F)F)=C1	REAL300010915776	0	38	-1.0	-57.43	329.26	5.43	-52.00
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(=O)OC	REAL300010915777	0	44	-1.0	-56.22	380.47	6.49	-49.73
COC(=O)C1CC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C1	REAL300010915778	0	44	-1.0	-57.08	375.80	7.40	-49.68
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915779	0	37	-1.0	-48.74	335.84	3.13	-45.61
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915780	0	37	-1.0	-59.25	343.58	7.11	-52.14
COC(=O)C1=CC=NC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915781	0	36	-1.0	-56.32	317.46	4.68	-51.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300010915782	0	37	-1.0	-53.84	319.78	5.91	-47.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010915783	0	36	-1.0	-52.67	311.50	5.34	-47.33
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1I	REAL300010915784	0	31	-1.0	-53.25	289.13	5.70	-47.55
COC(=O)C1=NC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C=C1	REAL300010915786	0	42	-1.0	-54.71	370.95	5.79	-48.92
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Br)C=NS1	REAL300010915788	0	27	-1.0	-50.21	279.09	3.18	-47.03
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010915789	0	33	-1.0	-54.19	313.49	3.33	-50.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010915791	0	33	-1.0	-63.61	296.79	4.13	-59.48
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C(Cl)S1	REAL300010915792	0	31	-1.0	-51.59	294.89	5.03	-46.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010915793	0	33	-1.0	-59.95	307.48	3.87	-56.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010915794	0	38	-1.0	-49.65	343.93	5.64	-44.01
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300010915795	0	44	-1.0	-57.23	359.07	6.90	-50.33
CN(CCCC(=O)[O-])S(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010915796	0	35	-2.0	-104.18	324.26	4.80	-99.38
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010915796	1	36	-1.0	-57.59	325.79	3.96	-53.63
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010915797	0	38	-1.0	-47.81	337.95	6.87	-40.94
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CN=C1Cl	REAL300010915798	0	31	-1.0	-41.73	264.66	2.50	-39.23
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010915799	0	32	-1.0	-42.70	296.69	5.03	-37.67
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1Br	REAL300010915800	0	32	-1.0	-44.68	283.13	4.92	-39.76
CC1=CC(C)=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010915801	0	44	-1.0	-43.41	328.51	6.71	-36.70
COC(=O)CC1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010915802	0	41	-1.0	-52.93	340.82	4.89	-48.04
COC(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915803	0	38	-1.0	-53.31	311.28	5.88	-47.43
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915804	0	41	-1.0	-52.08	351.74	6.09	-45.99
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010915805	0	32	-1.0	-45.08	307.20	4.97	-40.11
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915806	0	38	-1.0	-55.14	330.88	5.16	-49.98
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915807	0	44	-1.0	-53.11	351.32	6.83	-46.28
CC(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915808	0	41	-1.0	-53.22	335.34	6.43	-46.79
CCC(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915809	0	44	-1.0	-44.72	356.40	6.55	-38.17
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915810	0	43	-1.0	-54.73	370.68	2.51	-52.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)NC2=C1	REAL300010915811	0	36	-1.0	-46.90	311.62	1.16	-45.74
CC(=O)NCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915812	0	42	-1.0	-56.79	357.01	3.53	-53.26
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010915813	0	34	-1.0	-42.10	310.56	5.49	-36.61
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010915814	0	32	-1.0	-43.62	297.74	5.16	-38.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)S1	REAL300010915815	0	29	-1.0	-41.49	288.37	3.57	-37.92
CCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915816	0	41	-1.0	-53.40	339.50	6.73	-46.67
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010915817	0	32	-1.0	-38.23	290.58	5.00	-33.23
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010915818	0	36	-1.0	-45.29	328.54	3.88	-41.41
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915819	0	43	-1.0	-51.49	355.33	3.39	-48.10
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010915820	0	32	-1.0	-47.39	297.20	4.14	-43.25
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(F)C(F)=C1F	REAL300010915820	1	31	-2.0	-119.79	289.67	4.01	-115.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010915821	0	32	-1.0	-52.29	312.29	5.10	-47.19
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1Cl	REAL300010915822	0	32	-1.0	-46.68	282.46	4.81	-41.87
COC(=O)C1=CC(C(=O)OC)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915823	0	44	-1.0	-60.26	388.34	5.36	-54.90
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915824	0	44	-1.0	-50.10	366.14	6.51	-43.59
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1F	REAL300010915825	0	31	-2.0	-131.15	280.47	4.12	-127.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC=C1F	REAL300010915825	1	32	-1.0	-46.25	284.71	4.21	-42.04
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)N=C1	REAL300010915826	0	31	-1.0	-51.85	290.68	2.70	-49.15
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1F	REAL300010915827	0	32	-1.0	-41.12	289.63	4.69	-36.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010915828	0	35	-1.0	-41.75	310.92	5.59	-36.16
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Br	REAL300010915829	0	35	-1.0	-44.24	314.87	5.59	-38.65
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1NC(C)=O	REAL300010915830	0	43	-1.0	-53.06	363.55	2.23	-50.83
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010915831	0	36	-1.0	-49.83	321.09	4.30	-45.53
CC1=C(C)C(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1C	REAL300010915832	0	47	-1.0	-53.45	348.76	7.76	-45.69
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010915833	0	41	-1.0	-50.32	341.46	3.86	-46.46
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010915834	0	37	-1.0	-41.93	319.84	5.52	-36.41
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)S1	REAL300010915835	0	29	-1.0	-41.57	293.01	3.68	-37.89
CC1=CC(Cl)=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Cl	REAL300010915836	0	38	-1.0	-39.33	323.43	6.57	-32.76
COC1=CC=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915837	0	36	-1.0	-56.32	307.78	4.97	-51.35
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915838	0	50	-1.0	-51.58	377.78	8.25	-43.33
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010915839	0	48	-1.0	-45.04	379.60	7.77	-37.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010915840	0	35	-1.0	-49.92	313.84	5.51	-44.41
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300010915841	0	42	-1.0	-46.68	341.37	6.41	-40.27
COC1=CC=C(OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915842	0	40	-1.0	-59.63	315.96	3.64	-55.99
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OC	REAL300010915843	0	40	-1.0	-47.37	334.12	3.61	-43.76
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010915844	0	42	-1.0	-54.64	372.35	4.09	-50.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300010915845	0	39	-1.0	-48.24	320.93	6.31	-41.93
CC(=O)NCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010915846	0	39	-1.0	-47.56	349.68	2.57	-44.99
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300010915847	0	40	-1.0	-46.34	331.23	6.35	-39.99
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1F	REAL300010915848	0	32	-1.0	-53.21	273.48	4.27	-48.94
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=CC=C1F	REAL300010915848	1	31	-2.0	-122.16	283.51	3.95	-118.21
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915849	0	42	-1.0	-49.38	340.95	4.07	-45.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010915850	0	29	-1.0	-38.25	280.19	4.04	-34.21
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010915850	1	28	-2.0	-112.16	294.48	3.98	-108.18
CC(C)CCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915851	0	47	-1.0	-53.42	378.57	8.01	-45.41
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300010915852	0	38	-1.0	-48.06	319.49	6.27	-41.79
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010915853	0	42	-1.0	-47.11	351.91	7.37	-39.74
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010915854	0	35	-1.0	-37.62	308.06	5.38	-32.24
CC1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915855	0	35	-1.0	-41.66	299.96	4.88	-36.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010915856	0	32	-1.0	-40.33	315.88	5.65	-34.68
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010915856	1	31	-2.0	-114.77	312.30	5.66	-109.11
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915857	0	47	-1.0	-52.89	365.54	7.29	-45.60
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010915858	0	35	-1.0	-47.55	310.85	5.52	-42.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=C(F)C(F)=C1	REAL300010915859	0	32	-1.0	-50.56	297.82	4.25	-46.31
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010915860	0	35	-1.0	-45.35	294.33	4.85	-40.50
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010915861	0	31	-2.0	-114.55	304.09	4.55	-110.00
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010915861	1	32	-1.0	-41.34	311.62	4.68	-36.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010915862	0	35	-1.0	-52.84	305.81	5.20	-47.64
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010915863	0	32	-1.0	-41.27	311.60	4.68	-36.59
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1F	REAL300010915863	1	31	-2.0	-114.34	304.09	4.54	-109.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010915864	0	32	-1.0	-41.16	297.31	4.13	-37.03
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(F)=C(F)C=C1F	REAL300010915864	1	31	-2.0	-113.13	289.78	4.01	-109.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300010915865	0	33	-1.0	-49.75	285.05	2.60	-47.15
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1F	REAL300010915866	0	35	-1.0	-44.01	302.09	5.10	-38.91
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300010915867	0	35	-1.0	-45.19	319.70	5.46	-39.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300010915868	0	37	-1.0	-62.19	298.71	5.62	-56.57
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C=C1C(F)(F)F	REAL300010915869	0	35	-1.0	-41.50	300.59	5.15	-36.35
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300010915870	0	43	-1.0	-47.87	383.40	7.38	-40.49
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Cl)=C1F	REAL300010915871	0	32	-1.0	-47.65	300.80	4.51	-43.14
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C=C1Br	REAL300010915872	0	32	-1.0	-41.06	289.53	5.01	-36.05
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915873	0	38	-1.0	-42.47	317.51	4.94	-37.53
CC1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915874	0	35	-1.0	-55.35	288.48	4.87	-50.48
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010915875	0	36	-1.0	-46.32	314.35	3.29	-43.03
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010915876	0	35	-1.0	-49.00	302.10	5.11	-43.89
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010915877	0	31	-2.0	-119.94	286.87	4.19	-115.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=C(F)C=C1F	REAL300010915877	1	32	-1.0	-41.84	292.49	4.24	-37.60
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010915878	0	32	-1.0	-40.28	302.39	5.07	-35.21
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)C=C1	REAL300010915879	0	47	-1.0	-53.37	395.02	6.71	-46.66
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010915880	0	39	-1.0	-47.72	348.51	3.44	-44.28
CN(C1CCCCC1)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915881	0	43	-1.0	-40.71	325.58	4.02	-36.69
CC1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Cl	REAL300010915884	0	35	-1.0	-44.79	317.63	5.71	-39.08
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300010915885	0	35	-1.0	-41.15	333.18	5.64	-35.51
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(N)=O	REAL300010915888	0	40	-1.0	-49.27	337.19	1.79	-47.48
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010915890	0	39	-1.0	-49.47	322.30	2.96	-46.51
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915891	0	37	-1.0	-47.50	315.89	5.30	-42.20
CN1C=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Cl	REAL300010915892	0	32	-1.0	-52.68	292.36	3.99	-48.69
CN1C=NC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1Cl	REAL300010915892	1	31	-2.0	-128.99	285.94	4.00	-124.99
CC1=CC(F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915893	0	35	-1.0	-54.01	306.64	4.80	-49.21
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915894	0	38	-1.0	-54.93	350.34	5.23	-49.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C=N1	REAL300010915895	0	31	-1.0	-53.20	295.99	2.77	-50.43
CS(=O)(=O)CCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915899	0	37	-1.0	-49.42	326.48	-0.02	-49.44
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1C	REAL300010915900	0	42	-1.0	-45.83	338.75	4.72	-41.11
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010915902	0	43	-1.0	-44.26	359.22	3.86	-40.40
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300010915903	0	35	-1.0	-41.95	322.56	5.30	-36.65
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1	REAL300010915904	0	32	-1.0	-40.46	311.51	5.48	-34.98
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915905	0	45	-1.0	-62.38	378.82	4.29	-58.09
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915906	0	46	-1.0	-62.61	368.68	3.36	-59.25
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915907	0	40	-1.0	-40.93	338.08	6.33	-34.60
CC(C)CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915908	0	44	-1.0	-53.49	356.26	7.19	-46.30
COCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915909	0	42	-1.0	-53.69	351.68	5.02	-48.67
COCCN(CCOC)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915910	0	44	-1.0	-40.67	346.78	1.81	-38.86
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915911	0	35	-1.0	-41.42	310.27	5.33	-36.09
CC(C)CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915912	0	48	-1.0	-52.32	387.02	6.83	-45.49
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300010915913	0	46	-1.0	-45.26	372.36	6.18	-39.08
CC(C)COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915914	0	45	-1.0	-52.49	368.06	6.23	-46.26
CCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915915	0	42	-1.0	-45.10	350.56	4.98	-40.12
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010915916	0	36	-1.0	-45.33	324.15	3.78	-41.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300010915917	0	36	-1.0	-46.31	330.67	4.53	-41.78
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010915918	0	39	-1.0	-46.91	324.93	4.45	-42.46
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300010915919	0	45	-1.0	-46.02	363.14	5.92	-40.10
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1	REAL300010915920	0	39	-1.0	-44.93	312.94	4.31	-40.62
COCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915921	0	43	-1.0	-55.23	360.08	4.00	-51.23
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC=C1F	REAL300010915922	0	35	-1.0	-48.02	306.58	4.71	-43.31
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915923	0	43	-1.0	-48.84	366.15	4.07	-44.77
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300010915924	0	47	-1.0	-49.67	382.38	3.40	-46.27
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Br)=C1	REAL300010915925	0	35	-1.0	-44.85	304.55	5.59	-39.26
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915926	0	38	-1.0	-52.05	348.50	2.40	-49.65
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915927	0	38	-1.0	-47.55	328.22	6.39	-41.16
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300010915928	0	37	-1.0	-52.48	316.34	4.79	-47.69
COC1=CC(F)=CC(F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915929	0	36	-1.0	-49.33	310.41	4.91	-44.42
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010915929	1	35	-2.0	-125.51	309.24	4.25	-121.26
CC1=CC(C#N)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915930	0	36	-1.0	-41.05	304.85	5.54	-35.51
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010915931	0	33	-1.0	-40.44	293.77	4.61	-35.83
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915932	0	36	-1.0	-49.80	327.32	5.46	-44.34
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1OC	REAL300010915933	0	42	-1.0	-46.73	357.48	5.11	-41.62
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010915934	0	41	-1.0	-44.42	345.66	5.52	-38.90
COC(=O)CCN(C)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915935	0	39	-1.0	-46.17	329.59	2.77	-43.40
CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010915936	0	42	-1.0	-65.33	347.97	0.03	-65.30
CN(C1CCOCC1)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915937	0	41	-1.0	-56.30	321.57	2.44	-53.86
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(N2CCOC2=O)C=C1	REAL300010915938	0	41	-1.0	-62.07	343.78	4.58	-57.49
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300010915939	0	41	-1.0	-52.99	352.70	5.28	-47.71
CCN1N=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010915940	0	41	-1.0	-51.25	332.82	4.07	-47.18
CC(C)N1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010915941	0	38	-1.0	-45.68	321.15	3.45	-42.23
CC(C)CN1C=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915942	0	41	-1.0	-54.00	340.97	5.33	-48.67
CC(C)N1C=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915943	0	38	-1.0	-54.96	321.87	4.75	-50.21
CC(C)C1=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1	REAL300010915944	0	38	-1.0	-47.78	319.28	2.82	-44.96
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915945	0	44	-1.0	-47.83	321.26	6.57	-41.26
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300010915946	0	45	-1.0	-53.71	378.47	7.22	-46.49
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915947	0	40	-1.0	-47.86	341.46	3.81	-44.05
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(F)=C1Cl	REAL300010915948	0	38	-2.0	-126.98	351.61	3.58	-123.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2=CC=CC=C2F)N=C1	REAL300010915949	0	39	-1.0	-57.09	341.37	5.65	-51.44
COC(=O)C1=C(F)C=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010915950	0	38	-1.0	-49.74	346.66	4.72	-45.02
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Cl)=C1Cl	REAL300010915951	0	36	-1.0	-47.37	335.96	4.31	-43.06
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=NN1C1=CC=C(Cl)C=C1	REAL300010915952	0	42	-1.0	-42.41	363.84	6.31	-36.10
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(Br)O1	REAL300010915953	0	35	-1.0	-39.05	332.17	3.64	-35.41
COC(=O)C1=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(Br)O1	REAL300010915953	1	34	-2.0	-108.89	333.12	3.16	-105.73
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C(Br)S1	REAL300010915954	0	32	-1.0	-40.09	309.27	4.48	-35.61
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1	REAL300010915955	0	36	-1.0	-44.63	318.78	2.76	-41.87
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010915956	0	33	-1.0	-44.14	311.59	5.22	-38.92
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010915957	0	40	-1.0	-58.84	318.07	7.47	-51.37
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915958	0	38	-1.0	-44.92	342.98	5.53	-39.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915959	0	41	-1.0	-47.11	354.25	2.33	-44.78
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C(F)(F)F)=C1	REAL300010915960	0	36	-1.0	-41.38	314.84	5.47	-35.91
N#CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010915961	0	33	-1.0	-39.35	311.62	5.22	-34.13
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915962	0	48	-1.0	-55.10	386.33	6.22	-48.88
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(=O)NC2CC2)=CC=C1	REAL300010915963	0	43	-1.0	-60.50	363.44	4.38	-56.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300010915964	0	44	-1.0	-54.94	384.12	2.35	-52.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915965	0	40	-1.0	-55.48	351.72	0.68	-54.80
CC(=O)NCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010915966	0	42	-1.0	-51.53	371.18	3.34	-48.19
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])O1	REAL300010915967	0	35	-1.0	-57.25	318.37	2.87	-54.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])O1	REAL300010915967	1	34	-2.0	-117.39	311.13	2.61	-114.78
COC(=O)C1=C(C)OC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915968	0	38	-1.0	-46.49	335.86	3.89	-42.60
CC1=NC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010915969	0	34	-1.0	-43.37	301.67	2.38	-40.99
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010915970	0	33	-2.0	-134.42	298.86	5.42	-129.00
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300010915970	1	34	-1.0	-57.52	294.43	6.15	-51.37
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300010915971	0	35	-1.0	-40.46	335.22	5.63	-34.83
CCOC(=O)C1=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C)N1	REAL300010915972	0	45	-1.0	-44.24	368.51	5.02	-39.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010915973	0	32	-1.0	-48.11	290.14	5.13	-42.98
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1Br	REAL300010915973	1	31	-2.0	-123.95	288.10	5.38	-118.57
CC1=NC(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])S2)=CS1	REAL300010915974	0	38	-1.0	-48.23	358.80	4.50	-43.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300010915975	0	52	-1.0	-45.38	412.27	7.58	-37.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(=O)NCC(F)(F)F)=CC=C1	REAL300010915976	0	42	-1.0	-46.89	372.66	3.98	-42.91
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(I)=C1	REAL300010915977	0	32	-1.0	-42.53	303.18	5.50	-37.03
COC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915978	0	41	-1.0	-45.25	348.25	5.45	-39.80
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-]	REAL300010915979	0	34	-1.0	-55.68	304.91	6.39	-49.29
COC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OC	REAL300010915980	0	40	-1.0	-47.81	343.34	3.22	-44.59
COC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OC	REAL300010915981	0	43	-1.0	-43.70	342.14	4.21	-39.49
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010915982	0	33	-2.0	-118.81	315.25	7.19	-111.62
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1[N+](=O)[O-]	REAL300010915982	1	34	-1.0	-47.28	308.64	7.14	-40.14
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)N=C2C=CC=CN21	REAL300010915983	0	35	-1.0	-49.06	313.15	5.18	-43.88
N#CC1=CC(F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915984	0	33	-1.0	-50.38	294.70	4.51	-45.87
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915985	0	33	-1.0	-50.23	305.04	4.97	-45.26
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010915986	0	35	-1.0	-47.40	314.88	5.60	-41.80
CC1=C(F)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915987	0	35	-1.0	-44.98	298.82	4.84	-40.14
COC(=O)CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010915988	0	38	-1.0	-60.50	335.75	3.13	-57.37
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300010915989	0	38	-1.0	-45.07	329.54	7.05	-38.02
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300010915990	0	37	-1.0	-39.02	322.46	5.77	-33.25
CC1=C(Br)SC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010915991	0	32	-1.0	-41.81	308.55	4.72	-37.09
N#CCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010915992	0	36	-1.0	-61.45	317.36	5.68	-55.77
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC(F)=C1F	REAL300010915993	0	38	-1.0	-53.27	344.44	4.81	-48.46
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300010915994	0	50	-1.0	-53.59	362.40	6.18	-47.41
CC1=NC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C2C=C1	REAL300010915995	0	40	-1.0	-62.85	320.27	6.15	-56.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300010915996	0	43	-1.0	-47.16	353.55	2.90	-44.26
CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Br	REAL300010915997	0	35	-1.0	-44.69	313.39	5.24	-39.45
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010915998	0	38	-1.0	-56.95	324.77	5.80	-51.15
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300010915999	0	40	-1.0	-56.91	336.87	1.82	-55.09
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300010916000	0	38	-1.0	-46.08	334.16	4.67	-41.41
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1F	REAL300010916376	0	39	-1.0	-51.54	323.23	4.84	-46.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010916377	0	39	-1.0	-48.53	342.07	4.50	-44.03
COC(=O)C1CCCCC1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916378	0	44	-1.0	-68.77	349.25	5.59	-63.18
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916379	0	47	-1.0	-46.00	372.08	5.61	-40.39
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916380	0	40	-1.0	-47.29	339.35	6.55	-40.74
CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916381	0	39	-1.0	-60.32	331.47	3.38	-56.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916382	0	40	-1.0	-47.17	337.30	5.96	-41.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010916383	0	37	-1.0	-46.50	329.50	5.38	-41.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010916384	0	32	-1.0	-50.10	302.89	5.61	-44.49
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010916385	0	34	-1.0	-51.97	295.54	5.34	-46.63
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)O1	REAL300010916386	0	29	-1.0	-56.20	283.21	2.81	-53.39
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010916386	1	28	-2.0	-117.40	275.97	2.54	-114.86
N#CC1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CCCCC1	REAL300010916387	0	42	-1.0	-71.88	333.14	4.93	-66.95
CC1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CCCCC1	REAL300010916388	0	44	-1.0	-44.58	324.84	5.90	-38.68
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010916389	0	34	-1.0	-41.13	303.62	5.07	-36.06
COC1=CC(Br)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916390	0	36	-1.0	-54.94	329.62	3.99	-50.95
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1C	REAL300010916391	0	42	-1.0	-46.18	358.43	5.45	-40.73
O=C([O-])C1CCCC1NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010916392	0	45	-1.0	-51.33	389.10	5.05	-46.28
CCC1=NOC2=NC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C12	REAL300010916393	0	39	-1.0	-44.10	337.18	2.06	-42.04
CCC1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916394	0	34	-1.0	-54.68	308.82	2.65	-52.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010916395	0	44	-1.0	-47.77	359.76	5.85	-41.92
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010916396	0	32	-1.0	-48.01	287.38	5.00	-43.01
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010916396	1	31	-2.0	-125.07	284.52	5.23	-119.84
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Cl)=N1	REAL300010916397	0	34	-1.0	-42.75	286.24	3.11	-39.64
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916398	0	37	-1.0	-42.80	310.13	4.68	-38.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010916399	0	39	-1.0	-47.68	343.32	5.06	-42.62
CSC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916400	0	36	-1.0	-45.12	333.84	5.39	-39.73
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916401	0	34	-1.0	-49.12	313.49	4.73	-44.39
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916402	0	42	-1.0	-46.66	360.78	0.52	-46.14
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN=C1Cl	REAL300010916403	0	35	-1.0	-45.32	319.54	1.87	-43.45
CC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916404	0	37	-1.0	-55.35	315.58	4.90	-50.45
CCN1C(=O)OC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916405	0	41	-1.0	-52.00	351.80	5.31	-46.69
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010916406	0	47	-1.0	-51.93	389.13	4.84	-47.09
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010916407	0	31	-1.0	-48.39	296.54	4.17	-44.22
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916408	0	50	0.0	-63.56	390.19	5.36	-58.20
CCC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916409	0	41	-1.0	-44.75	344.15	6.12	-38.63
CC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916410	0	38	-1.0	-44.34	328.00	5.38	-38.96
CC1=CC(Br)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916411	0	35	-1.0	-40.59	304.78	5.62	-34.97
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010916412	0	36	-1.0	-53.08	317.35	4.02	-49.06
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010916413	0	32	-1.0	-41.11	294.19	4.79	-36.32
COC1=CC=CC(OC)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916414	0	40	-1.0	-50.52	329.99	4.53	-45.99
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C	REAL300010916415	0	59	-1.0	-45.71	461.22	8.73	-36.98
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010916416	0	41	-1.0	-44.98	334.25	5.24	-39.74
CC1=CC=CC(F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916417	0	35	-1.0	-46.69	275.42	4.73	-41.96
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916418	0	46	-1.0	-59.87	379.93	5.63	-54.24
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916419	0	33	-1.0	-39.78	290.07	4.77	-35.01
CC1=NC(CS(=O)(=O)NC2CCCC2C(=O)[O-])=CS1	REAL300010916420	0	34	-1.0	-46.89	308.34	2.30	-44.59
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010916421	0	35	-1.0	-52.95	320.35	3.43	-49.52
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010916422	0	38	-1.0	-45.89	342.57	7.29	-38.60
COC(=O)CCCCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916423	0	43	-1.0	-44.84	361.30	4.81	-40.03
CN1N=CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CN=C21	REAL300010916424	0	37	-1.0	-56.63	323.18	3.20	-53.43
COC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916425	0	40	-1.0	-57.29	342.29	2.72	-54.57
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010916427	0	35	-1.0	-52.67	334.62	5.61	-47.06
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916428	0	43	-1.0	-45.62	348.60	1.99	-43.63
COC1=C(F)C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916429	0	38	-1.0	-50.82	342.36	4.90	-45.92
COC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916430	0	42	-1.0	-48.12	364.99	3.66	-44.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010916431	0	43	-1.0	-53.54	374.27	6.24	-47.30
COC1=CC=C(CCS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916432	0	42	-1.0	-45.30	352.26	4.76	-40.54
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010916433	0	35	-1.0	-43.04	315.47	3.23	-39.81
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010916434	0	43	-1.0	-46.49	358.66	5.31	-41.18
CC1=CC=NC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C12	REAL300010916435	0	40	-1.0	-52.89	336.74	5.11	-47.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010916436	0	35	-1.0	-47.15	309.56	5.33	-41.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010916437	0	35	-1.0	-40.42	311.68	5.17	-35.25
CC1=CC(Br)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916438	0	35	-1.0	-53.85	321.53	5.35	-48.50
CSC1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916439	0	36	-1.0	-45.93	314.94	5.02	-40.91
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916440	0	43	-1.0	-50.96	357.49	3.87	-47.09
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010916441	0	44	-1.0	-58.14	367.33	4.09	-54.05
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010916442	0	40	-1.0	-49.73	347.29	5.22	-44.51
COC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916443	0	42	-1.0	-48.12	364.99	3.66	-44.46
CN(C)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916444	0	40	-1.0	-48.52	327.86	4.82	-43.70
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010916445	0	35	-1.0	-41.34	323.87	5.24	-36.10
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(OC)=C1	REAL300010916446	0	42	-1.0	-46.22	343.85	4.93	-41.29
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=CS1	REAL300010916447	0	38	-1.0	-45.90	335.18	4.85	-41.05
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1F	REAL300010916448	0	36	-1.0	-44.27	311.11	3.78	-40.49
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916449	0	43	-1.0	-58.94	341.21	4.74	-54.20
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916450	0	46	-1.0	-47.97	395.70	5.16	-42.81
CC(C)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916451	0	41	-1.0	-44.03	327.58	5.90	-38.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010916452	0	46	-1.0	-43.03	382.27	8.12	-34.91
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916453	0	40	-1.0	-60.36	346.13	6.78	-53.58
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916454	0	44	0.0	-86.19	353.48	6.41	-79.78
CN(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916455	0	40	-1.0	-55.20	326.60	4.91	-50.29
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2O1	REAL300010916456	0	47	-1.0	-45.82	399.08	7.08	-38.74
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CS1	REAL300010916457	0	35	-1.0	-59.16	311.01	5.00	-54.16
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916458	0	44	-1.0	-45.04	370.12	6.38	-38.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010916459	0	32	-1.0	-44.23	314.05	5.06	-39.17
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010916459	1	31	-2.0	-114.61	306.75	4.96	-109.65
CC1=C(Cl)SC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916460	0	32	-1.0	-41.69	304.33	4.62	-37.07
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010916461	0	38	-1.0	-47.51	322.47	4.45	-43.06
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916462	0	36	-1.0	-44.51	302.33	3.48	-41.03
CC1=CC=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010916463	0	40	-1.0	-44.76	329.52	7.54	-37.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010916464	0	38	-1.0	-55.57	336.10	6.29	-49.28
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010916465	0	42	-1.0	-38.50	354.12	7.07	-31.43
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916466	0	35	-1.0	-37.08	310.46	5.67	-31.41
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010916467	0	37	-1.0	-50.44	319.80	4.29	-46.15
CC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916468	0	38	-1.0	-47.33	327.99	5.38	-41.95
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916469	0	40	-1.0	-42.43	337.94	6.00	-36.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010916470	0	32	-1.0	-44.56	310.10	5.12	-39.44
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010916471	0	42	-1.0	-38.50	354.12	7.07	-31.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010916472	0	31	-1.0	-42.45	296.43	2.59	-39.86
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010916473	0	32	-1.0	-40.48	311.51	5.48	-35.00
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010916474	0	43	-1.0	-47.14	372.51	4.17	-42.97
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010916475	0	31	-2.0	-118.87	294.89	4.19	-114.68
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916476	0	42	-1.0	-61.30	342.57	5.86	-55.44
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916477	0	35	-1.0	-53.48	306.00	0.76	-52.72
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C#N	REAL300010916478	0	36	-1.0	-43.22	315.35	5.30	-37.92
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916479	0	38	-1.0	-43.30	334.70	5.10	-38.20
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916480	0	36	-1.0	-56.46	303.23	4.86	-51.60
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010916481	0	33	-1.0	-44.66	306.93	2.73	-41.93
O=C([O-])C1CCCC1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010916482	0	45	-1.0	-44.58	366.35	7.25	-37.33
CC(C)(C)C1=CC(CS(=O)(=O)NC2CCCC2C(=O)[O-])=NO1	REAL300010916483	0	43	-1.0	-47.07	359.39	4.70	-42.37
O=C([O-])C1CCCC1NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010916484	0	49	-1.0	-53.15	375.31	10.22	-42.93
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C12	REAL300010916485	0	46	-1.0	-47.85	365.33	6.44	-41.41
COC1=CC=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916486	0	39	-1.0	-45.04	323.02	4.11	-40.93
COC(=O)C1=CN=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916487	0	37	-1.0	-46.44	328.64	2.78	-43.66
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010916488	0	33	-1.0	-44.07	315.88	5.31	-38.76
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010916489	0	34	-1.0	-38.51	332.68	5.55	-32.96
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010916489	1	33	-2.0	-106.55	325.38	5.45	-101.10
COC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916490	0	39	-1.0	-40.31	328.95	4.87	-35.44
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916491	0	38	-1.0	-42.84	352.01	5.34	-37.50
CN(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916492	0	39	-1.0	-56.27	327.60	3.89	-52.38
COC1=CC(Cl)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OC	REAL300010916493	0	40	-1.0	-45.64	350.69	3.71	-41.93
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010916494	0	36	-1.0	-46.07	320.87	4.05	-42.02
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010916495	0	35	-1.0	-44.98	319.70	5.46	-39.52
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916496	0	43	-1.0	-48.47	366.69	1.46	-47.01
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2S1	REAL300010916497	0	44	-1.0	-44.64	390.42	7.40	-37.24
N#CCC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916498	0	36	-1.0	-47.51	317.63	5.57	-41.94
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010916499	0	38	-1.0	-48.41	322.98	3.14	-45.27
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916500	0	37	-1.0	-60.03	335.60	-0.32	-60.35
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916501	0	38	-1.0	-43.23	327.39	4.84	-38.39
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916502	0	40	-1.0	-48.60	351.14	6.18	-42.42
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Br)=C1	REAL300010916503	0	36	-1.0	-43.05	312.61	4.23	-38.82
CC1=CC2=C(C=C1S(=O)(=O)NC1CCCC1C(=O)[O-])OCO2	REAL300010916504	0	38	-1.0	-41.88	310.11	3.82	-38.06
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916505	0	38	-1.0	-51.71	328.85	5.07	-46.64
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010916506	0	32	-1.0	-38.23	286.02	4.91	-33.32
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916507	0	38	-1.0	-42.97	310.98	5.59	-37.38
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010916508	0	32	-1.0	-39.64	299.76	5.57	-34.07
COC1=CC2=C(C=C1S(=O)(=O)NC1CCCC1C(=O)[O-])OCC(=O)N2	REAL300010916509	0	42	-1.0	-45.91	357.83	0.98	-44.93
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010916510	0	33	-2.0	-112.46	321.48	5.06	-107.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010916510	1	34	-1.0	-40.50	328.74	5.17	-35.33
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916511	0	30	-1.0	-41.23	291.64	3.50	-37.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010916512	0	34	-1.0	-41.31	325.27	5.06	-36.25
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010916512	1	33	-2.0	-107.32	314.62	5.54	-101.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010916513	0	32	-1.0	-40.38	304.18	5.23	-35.15
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010916513	1	31	-2.0	-113.65	301.97	5.22	-108.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010916514	0	33	-1.0	-47.03	291.60	2.91	-44.12
COC1=CN=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916515	0	35	-1.0	-46.75	303.27	1.40	-45.35
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010916516	0	32	-1.0	-47.36	305.21	4.62	-42.74
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1OC	REAL300010916517	0	42	-1.0	-46.93	357.46	5.12	-41.81
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010916518	0	32	-1.0	-41.00	299.86	5.44	-35.56
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010916519	0	35	-1.0	-43.63	318.00	5.18	-38.45
CC(=O)NC1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916520	0	35	-1.0	-61.03	323.77	1.57	-59.46
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916520	1	34	-2.0	-98.73	320.45	0.44	-98.29
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010916521	0	35	-1.0	-43.56	322.56	5.29	-38.27
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916522	0	36	-1.0	-59.28	330.07	1.36	-57.92
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916523	0	41	-1.0	-54.45	333.15	6.80	-47.65
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916524	0	40	-1.0	-51.43	336.79	2.30	-49.13
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916525	0	36	-1.0	-59.06	334.64	1.47	-57.59
CCOC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916526	0	39	-1.0	-46.31	326.75	4.63	-41.68
CC1(C)CC2=CC=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=C2O1	REAL300010916527	0	43	-1.0	-63.67	342.73	5.36	-58.31
N#CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010916528	0	36	-1.0	-45.56	332.03	5.59	-39.97
COCCN(CCC#N)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916529	0	41	-1.0	-38.45	340.45	2.41	-36.04
CC1=CC=C(CCS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916530	0	41	-1.0	-44.47	344.17	6.14	-38.33
COC1=CC=C(Br)C(CS(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916531	0	39	-1.0	-46.85	347.39	4.54	-42.31
N#CC1CN(S(=O)(=O)NC2CCCC2C(=O)[O-])CCO1	REAL300010916532	0	36	-1.0	-40.22	299.51	1.35	-38.87
CCN(CC(C)C#N)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916533	0	40	-1.0	-42.80	323.98	3.69	-39.11
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010916534	0	35	-1.0	-52.10	299.37	3.30	-48.80
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916535	0	33	-1.0	-48.58	316.65	4.71	-43.87
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916536	0	33	-1.0	-43.80	318.24	4.83	-38.97
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916537	0	38	-1.0	-40.16	322.57	6.03	-34.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010916538	0	38	-1.0	-47.45	339.93	5.50	-41.95
COCCOCCOCCS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916539	0	46	-1.0	-49.66	385.98	1.28	-48.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916540	0	42	-1.0	-51.55	360.12	2.04	-49.51
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010916541	0	31	-2.0	-119.99	293.96	4.67	-115.32
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010916541	1	32	-1.0	-45.05	297.63	4.68	-40.37
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2CC1	REAL300010916542	0	49	-1.0	-52.50	387.23	6.29	-46.21
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300010916543	0	41	-1.0	-42.17	360.31	5.88	-36.29
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1OC	REAL300010916544	0	42	-1.0	-48.78	371.96	5.55	-43.23
CCCC1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916545	0	41	-1.0	-45.81	346.86	7.02	-38.79
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916546	0	41	-1.0	-46.12	348.03	6.79	-39.33
CN(C(=O)NC1CCCC1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010916547	0	39	-1.0	-58.84	312.42	3.33	-55.51
CNC(=O)C1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916548	0	42	-1.0	-47.88	357.74	2.96	-44.92
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010916549	0	32	-1.0	-52.80	283.79	4.72	-48.08
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010916549	1	31	-2.0	-122.50	293.84	4.40	-118.10
O=C([O-])C1CCCC1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010916550	0	45	-1.0	-43.56	378.29	5.52	-38.04
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010916551	0	41	-1.0	-43.78	373.75	6.00	-37.78
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(F)C=C1Cl	REAL300010916551	1	40	-2.0	-116.49	366.22	5.86	-110.63
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010916552	0	34	-1.0	-47.94	317.94	6.09	-41.85
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010916552	1	33	-2.0	-119.40	319.14	5.67	-113.73
O=C([O-])C1CCCC1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010916553	0	41	-1.0	-48.76	338.85	1.13	-47.63
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916554	0	39	-2.0	-119.84	339.70	5.29	-114.55
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1OC	REAL300010916555	0	43	-1.0	-52.52	373.64	3.72	-48.80
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(F)C=C1C	REAL300010916556	0	44	-1.0	-44.98	375.51	6.04	-38.94
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916557	0	46	-1.0	-49.45	386.94	2.60	-46.85
COCC1=CC=C(OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916558	0	43	-1.0	-59.68	341.57	4.07	-55.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916559	0	45	-1.0	-61.95	363.01	5.92	-56.03
CCOC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C	REAL300010916560	0	44	-1.0	-46.57	371.32	6.03	-40.54
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010916561	0	35	-1.0	-46.91	309.38	5.57	-41.34
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916562	0	44	-1.0	-50.66	374.21	6.76	-43.90
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916563	0	38	-1.0	-46.69	342.28	7.18	-39.51
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916563	1	37	-2.0	-122.58	341.88	7.18	-115.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010916564	0	35	-1.0	-41.96	318.09	5.92	-36.04
CC(COC1CCCC1)CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916565	0	48	-1.0	-41.53	378.33	5.32	-36.21
CC1=C(CCS(=O)(=O)NC2CCCC2C(=O)[O-])SC=N1	REAL300010916566	0	37	-1.0	-59.73	324.76	3.65	-56.08
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010916567	0	38	-1.0	-43.43	339.49	5.97	-37.46
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916568	0	41	-1.0	-57.44	343.67	5.77	-51.67
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010916569	0	42	-1.0	-47.85	349.60	7.82	-40.03
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916570	0	46	-1.0	-54.78	394.26	2.30	-52.48
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010916571	0	35	-1.0	-46.10	318.00	5.24	-40.86
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1C	REAL300010916572	0	44	-1.0	-44.96	377.39	5.62	-39.34
CS(=O)(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010916573	0	38	-1.0	-58.38	345.88	2.33	-56.05
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010916574	0	36	-1.0	-60.86	326.24	4.94	-55.92
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010916575	0	35	-1.0	-54.17	309.28	5.44	-48.73
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916576	0	34	-1.0	-43.73	298.20	3.73	-40.00
CC1=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(Br)N1C	REAL300010916577	0	35	-1.0	-63.66	319.45	3.52	-60.14
CC1=NC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C(Br)N1C	REAL300010916577	1	34	-2.0	-132.84	312.21	3.26	-129.58
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010916578	0	33	-1.0	-42.86	302.08	2.77	-40.09
COC(=O)C(C)(C)CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916579	0	40	-1.0	-49.11	326.43	3.89	-45.22
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916580	0	45	-1.0	-45.47	360.85	5.12	-40.35
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010916581	0	35	-2.0	-98.67	305.89	4.26	-94.41
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010916581	1	36	-1.0	-44.35	326.98	2.68	-41.67
CCOC(=O)CC1(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916582	0	41	-1.0	-67.07	329.26	5.52	-61.55
N#CC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010916583	0	33	-1.0	-40.57	325.10	4.91	-35.66
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C=C1Br	REAL300010916583	1	32	-2.0	-112.62	317.56	4.78	-107.84
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916584	0	43	-1.0	-50.37	376.99	3.27	-47.10
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010916585	0	47	-1.0	-49.40	387.55	7.15	-42.25
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916586	0	44	-1.0	-56.73	378.77	3.72	-53.01
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010916587	0	37	-1.0	-50.07	321.80	1.61	-48.46
COC(=O)C1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CCCC1	REAL300010916588	0	44	-1.0	-45.79	350.18	5.43	-40.36
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010916589	0	31	-1.0	-42.31	310.00	3.10	-39.21
COCC1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916590	0	39	-1.0	-55.30	350.63	4.30	-51.00
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010916591	0	38	-1.0	-43.43	329.81	5.91	-37.52
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010916592	0	43	-1.0	-52.13	382.25	7.94	-44.19
COC(=O)CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916593	0	41	-1.0	-50.89	352.35	5.84	-45.05
O=C([O-])C1CCCC1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010916594	0	34	-1.0	-50.02	310.06	3.33	-46.69
O=C([O-])C1CCCC1NS(=O)(=O)CC12CCC(CC1)C2	REAL300010916595	0	42	-1.0	-45.60	323.71	5.78	-39.82
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010916596	0	38	-1.0	-45.13	338.91	5.91	-39.22
COC(=O)C1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CCC1	REAL300010916597	0	41	-1.0	-45.94	333.83	4.79	-41.15
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010916598	0	32	-1.0	-41.32	311.94	4.14	-37.18
N#CC1=CC(F)=CC=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916599	0	36	-1.0	-45.21	326.54	4.91	-40.30
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916600	0	45	-1.0	-58.46	388.68	4.44	-54.02
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916601	0	48	-1.0	-58.04	410.54	5.36	-52.68
COC(=O)C1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CCCCC1	REAL300010916602	0	47	-1.0	-44.43	355.13	6.03	-38.40
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN=C1C	REAL300010916603	0	40	-1.0	-45.83	344.94	3.25	-42.58
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010916604	0	36	-1.0	-47.98	330.44	3.82	-44.16
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916605	0	41	-1.0	-54.41	372.20	6.16	-48.25
N#CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916606	0	33	-1.0	-45.35	302.09	4.85	-40.50
O=C([O-])C1CCCC1NS(=O)(=O)CCC1CCOCC1	REAL300010916607	0	42	-1.0	-42.58	334.68	3.25	-39.33
O=C([O-])C1CCCC1NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010916608	0	48	-1.0	-52.36	410.60	5.83	-46.53
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916609	0	35	-1.0	-43.90	306.44	5.01	-38.89
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010916610	0	34	-1.0	-38.43	305.13	3.59	-34.84
O=C([O-])C1CCCC1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300010916611	0	45	-1.0	-62.64	333.11	6.37	-56.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010916612	0	41	-1.0	-47.24	343.45	5.51	-41.73
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010916613	0	33	-1.0	-42.64	302.37	3.82	-38.82
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010916614	0	38	-1.0	-44.13	333.45	5.54	-38.59
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010916615	0	35	-1.0	-52.28	303.00	2.90	-49.38
CN1C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010916615	1	34	-2.0	-123.32	310.22	2.67	-120.65
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010916616	0	34	-1.0	-43.01	318.13	5.91	-37.10
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010916616	1	33	-2.0	-118.08	312.70	5.96	-112.12
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(F)C=C1C	REAL300010916617	0	41	-1.0	-45.09	353.64	5.12	-39.97
CC1=CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2N=C1Cl	REAL300010916618	0	40	-1.0	-50.03	351.85	5.79	-44.24
O=C([O-])C1CCCC1NS(=O)(=O)CC1CCCCC1(F)F	REAL300010916619	0	41	-1.0	-48.31	327.25	5.60	-42.71
O=C([O-])C1CCCC1NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010916620	0	42	-1.0	-46.97	356.79	4.74	-42.23
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C(C)C)=C1	REAL300010916621	0	59	-1.0	-45.91	438.58	9.91	-36.00
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010916622	0	37	-1.0	-48.87	333.46	5.01	-43.86
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916623	0	44	-1.0	-44.31	377.93	6.27	-38.04
COC(=O)C1=NC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916624	0	37	-1.0	-54.69	305.91	4.18	-50.51
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916625	0	39	-1.0	-55.33	347.38	4.38	-50.95
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010916626	0	39	-1.0	-56.47	324.68	6.49	-49.98
COC1=CC=C2C=C(S(=O)(=O)NC3CCCC3C(=O)[O-])CCC2=C1	REAL300010916627	0	44	-1.0	-46.97	360.70	5.65	-41.32
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010916628	0	40	-1.0	-45.65	339.45	4.90	-40.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010916629	0	35	-1.0	-45.83	312.54	4.82	-41.01
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010916629	1	34	-2.0	-119.89	307.76	4.28	-115.61
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010916630	0	35	-1.0	-64.29	330.05	5.90	-58.39
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010916630	1	34	-2.0	-125.06	326.24	5.74	-119.32
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010916631	0	35	-1.0	-41.24	328.28	5.34	-35.90
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916632	0	41	-1.0	-52.22	361.97	2.19	-50.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010916633	0	35	-1.0	-49.51	295.00	4.66	-44.85
O=C([O-])C1CCCC1NS(=O)(=O)CCC1CCCCC1	REAL300010916634	0	44	-1.0	-60.26	341.57	6.08	-54.18
CC1=CC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2C=C1	REAL300010916635	0	41	-1.0	-49.89	342.65	7.34	-42.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CS1	REAL300010916636	0	29	-1.0	-42.89	284.08	3.58	-39.31
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010916636	1	28	-2.0	-119.68	273.69	3.95	-115.73
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916637	0	41	-1.0	-43.43	362.20	5.88	-37.55
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010916638	0	47	-1.0	-60.88	396.72	5.06	-55.82
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916639	0	45	-1.0	-59.57	371.57	4.87	-54.70
O=C([O-])C1CCCC1NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010916640	0	35	-1.0	-48.29	320.64	5.09	-43.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010916641	0	38	-1.0	-51.10	329.34	6.25	-44.85
CCC1=CC(CC)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(CC)=C1	REAL300010916642	0	50	-1.0	-54.49	373.94	9.38	-45.11
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010916643	0	37	-1.0	-47.15	311.68	4.18	-42.97
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010916644	0	39	-1.0	-47.94	331.38	4.15	-43.79
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010916645	0	34	-1.0	-49.25	324.02	4.26	-44.99
COC1=CC(OC)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916646	0	40	-1.0	-45.87	352.85	3.65	-42.22
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010916647	0	40	-1.0	-50.01	347.10	2.90	-47.11
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916648	0	37	-1.0	-52.25	332.89	-1.12	-53.37
CC(C)(CCS(=O)(=O)NC1CCCC1C(=O)[O-])S(C)(=O)=O	REAL300010916649	0	43	-1.0	-57.12	350.75	1.08	-56.04
COC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010916650	0	36	-1.0	-44.09	320.91	4.26	-39.83
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010916651	0	35	-1.0	-43.14	304.46	1.68	-41.46
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916652	0	45	-1.0	-45.47	360.04	5.27	-40.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010916653	0	37	-1.0	-49.65	315.17	3.76	-45.89
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010916654	0	41	-1.0	-46.84	343.66	7.33	-39.51
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010916655	0	36	-1.0	-52.36	300.89	4.61	-47.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010916656	0	36	-1.0	-52.20	311.20	5.06	-47.14
COC(=O)CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916657	0	41	-1.0	-52.60	357.79	5.89	-46.71
COC(CC1=CC=CC=C1)CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916658	0	45	-1.0	-43.92	368.97	5.88	-38.04
COC(CC(C)C)CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916659	0	44	-1.0	-43.69	346.77	3.88	-39.81
COC1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916660	0	36	-1.0	-56.95	292.92	4.41	-52.54
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010916661	0	35	-1.0	-41.94	336.52	5.68	-36.26
O=C([O-])C1CCCC1NS(=O)(=O)CCCC1CCOC1	REAL300010916662	0	42	-1.0	-43.83	338.31	3.24	-40.59
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010916663	0	35	-1.0	-43.42	334.66	5.76	-37.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010916664	0	35	-1.0	-46.25	314.96	3.51	-42.74
CCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010916665	0	40	-1.0	-53.47	338.10	6.19	-47.28
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916666	0	48	-1.0	-58.42	362.55	6.65	-51.77
N#CCC1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916667	0	39	-1.0	-50.77	343.50	5.85	-44.92
COC1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916668	0	35	-1.0	-44.50	321.93	1.14	-43.36
CCOC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1	REAL300010916669	0	41	-1.0	-43.10	349.26	5.77	-37.33
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916670	0	41	-1.0	-54.85	372.66	5.72	-49.13
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010916671	0	35	-1.0	-42.01	317.99	5.19	-36.82
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Cl	REAL300010916672	0	35	-1.0	-44.16	310.83	5.50	-38.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010916673	0	38	-1.0	-58.84	323.50	5.39	-53.45
CC1=CSC(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)=N1	REAL300010916674	0	41	-1.0	-47.68	363.94	5.43	-42.25
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010916675	0	38	-1.0	-49.82	353.99	5.11	-44.71
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916675	1	37	-2.0	-127.43	346.74	5.00	-122.43
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916676	0	41	-1.0	-47.15	359.65	5.29	-41.86
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916677	0	39	-1.0	-52.86	326.45	4.73	-48.13
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916678	0	38	-1.0	-43.19	335.03	5.77	-37.42
O=C([O-])C1CCCC1NS(=O)(=O)CCCC1CCOCC1	REAL300010916679	0	45	-1.0	-43.13	356.19	4.02	-39.11
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010916680	0	47	-1.0	-44.11	390.57	2.15	-41.96
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010916681	0	40	-1.0	-50.45	316.96	5.67	-44.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010916682	0	39	-1.0	-63.76	343.92	1.93	-61.83
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010916683	0	32	-1.0	-40.23	297.97	4.97	-35.26
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])SC(Br)=C1	REAL300010916684	0	32	-1.0	-58.17	308.76	4.36	-53.81
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010916685	0	41	-1.0	-52.64	340.24	4.33	-48.31
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916686	0	42	-1.0	-55.60	353.10	2.91	-52.69
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010916687	0	38	-1.0	-43.37	329.18	5.53	-37.84
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC=C1F	REAL300010916688	0	38	-1.0	-46.93	328.34	5.50	-41.43
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010916689	0	38	-1.0	-45.38	335.39	5.83	-39.55
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916690	0	36	-1.0	-42.52	334.33	4.45	-38.07
COC1=CC2=C(C=C1S(=O)(=O)NC1CCCC1C(=O)[O-])C(=O)NCCC2	REAL300010916691	0	47	-1.0	-66.53	362.41	3.42	-63.11
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3CCCC3C(=O)[O-])S2)C1	REAL300010916692	0	43	-1.0	-43.65	361.09	4.79	-38.86
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010916693	0	39	-1.0	-46.21	346.21	6.53	-39.68
COC1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916694	0	41	-1.0	-58.99	327.73	2.15	-56.84
COC(CS(=O)(=O)NC1CCCC1C(=O)[O-])C1CCOC1	REAL300010916695	0	43	-1.0	-43.53	341.12	1.64	-41.89
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010916696	0	35	-1.0	-43.56	324.31	5.31	-38.25
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010916697	0	35	-1.0	-43.84	321.09	5.21	-38.63
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010916698	0	32	-1.0	-52.21	316.85	5.20	-47.01
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916699	0	39	-1.0	-62.68	334.75	1.51	-61.17
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916700	0	57	-1.0	-44.98	458.05	8.89	-36.09
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916701	0	47	-1.0	-57.85	384.98	6.85	-51.00
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010916702	0	32	-1.0	-40.28	302.39	5.07	-35.21
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916703	0	38	-1.0	-43.30	334.70	5.10	-38.20
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010916704	0	46	-1.0	-53.06	383.62	7.45	-45.61
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010916705	0	46	-1.0	-44.88	392.86	7.76	-37.12
O=C([O-])C1CCCC1NS(=O)(=O)C1=NC=CC=C1Br	REAL300010916706	0	31	-1.0	-49.11	284.92	3.37	-45.74
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010916706	1	30	-2.0	-128.40	284.11	2.61	-125.79
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3CCCC3C(=O)[O-])=C2)=N1	REAL300010916707	0	44	-1.0	-44.63	362.03	4.25	-40.38
COC(CS(=O)(=O)NC1CCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010916708	0	42	-1.0	-43.97	359.33	5.08	-38.89
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010916709	0	44	-1.0	-48.98	359.59	5.83	-43.15
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])N(C)N=C1	REAL300010916710	0	38	-1.0	-45.26	320.72	3.27	-41.99
COC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Cl	REAL300010916711	0	40	-1.0	-44.01	349.74	3.11	-40.90
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C12	REAL300010916712	0	44	-1.0	-45.01	360.90	7.07	-37.94
COC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916713	0	43	-1.0	-54.46	358.79	3.42	-51.04
CCOC(CS(=O)(=O)NC1CCCC1C(=O)[O-])C1CC1	REAL300010916714	0	42	-1.0	-44.05	342.46	4.39	-39.66
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010916715	0	38	-1.0	-49.51	343.67	4.67	-44.84
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916715	1	37	-2.0	-126.59	336.41	4.56	-122.03
CC(=O)N1CCC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=C(Cl)C=C21	REAL300010916716	0	43	-1.0	-59.17	371.03	5.57	-53.60
CCC(C)OC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916717	0	45	-1.0	-44.70	361.56	6.01	-38.69
COC(CS(=O)(=O)NC1CCCC1C(=O)[O-])C1CCCC1	REAL300010916718	0	45	-1.0	-44.20	351.45	4.06	-40.14
COC(CS(=O)(=O)NC1CCCC1C(=O)[O-])C1CCCCC1	REAL300010916719	0	48	-1.0	-43.48	367.21	5.37	-38.11
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010916720	0	35	-1.0	-46.20	319.30	3.47	-42.73
CCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010916721	0	51	-1.0	-46.48	406.85	7.45	-39.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010916722	0	35	-1.0	-53.42	329.18	3.77	-49.65
COC1=CC(F)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916723	0	36	-1.0	-43.91	295.69	4.34	-39.57
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010916724	0	40	-1.0	-49.73	342.09	6.38	-43.35
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916725	0	39	-1.0	-45.89	319.33	4.12	-41.77
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010916726	0	45	-1.0	-46.82	371.33	6.32	-40.50
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])O1	REAL300010916727	0	38	-1.0	-44.69	333.71	3.75	-40.94
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])O1	REAL300010916727	1	37	-2.0	-118.50	329.02	3.20	-115.30
CCC1=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN1CC1CC1	REAL300010916728	0	45	-1.0	-65.26	377.53	6.03	-59.23
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2C1	REAL300010916729	0	43	-1.0	-61.51	362.60	4.58	-56.93
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916730	0	35	-1.0	-43.67	309.25	2.64	-41.03
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010916731	0	43	-1.0	-46.42	376.09	8.48	-37.94
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916732	0	35	-1.0	-37.09	310.50	5.67	-31.42
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010916733	0	42	-1.0	-52.48	337.47	7.67	-44.81
CC1=CC=C(Br)C(CS(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916734	0	38	-1.0	-46.03	339.33	5.91	-40.12
COC1=CC=CC(Br)=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916735	0	39	-1.0	-50.12	346.14	4.62	-45.50
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010916736	0	38	-1.0	-46.42	333.38	5.52	-40.90
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(F)=C1F	REAL300010916737	0	35	-1.0	-50.19	311.23	4.73	-45.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010916738	0	31	-1.0	-50.37	292.23	2.87	-47.50
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010916738	1	30	-2.0	-119.97	293.55	2.49	-117.48
CC(C)OC1=CN=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916739	0	41	-1.0	-46.38	343.24	2.98	-43.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010916740	0	38	-1.0	-53.89	333.73	2.75	-51.14
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010916741	0	39	-1.0	-44.13	343.51	3.56	-40.57
COC(=O)C1=C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])OC=C1	REAL300010916742	0	34	-2.0	-128.96	304.96	3.16	-125.80
COC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])OC=C1	REAL300010916742	1	35	-1.0	-65.77	308.99	3.03	-62.74
CCC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C)C=C1OC	REAL300010916743	0	45	-1.0	-43.41	354.64	5.79	-37.62
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010916744	0	38	-1.0	-41.83	348.94	5.84	-35.99
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916745	0	40	-1.0	-47.85	346.48	5.03	-42.82
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=N1	REAL300010916746	0	33	-2.0	-135.96	298.68	2.82	-133.14
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2CCCC2C(=O)[O-])=N1	REAL300010916746	1	34	-1.0	-51.94	298.02	3.20	-48.74
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916747	0	35	-1.0	-37.33	319.60	6.08	-31.25
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010916748	0	41	-1.0	-48.40	324.98	7.45	-40.95
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010916749	0	39	-1.0	-41.13	338.47	4.71	-36.42
N#CCC1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916750	0	36	-1.0	-42.24	310.86	5.21	-37.03
CC1=CC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C2NC1=O	REAL300010916751	0	41	-1.0	-46.85	349.64	3.65	-43.20
CN1N=NC2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916752	0	37	-1.0	-45.39	319.24	2.86	-42.53
CC1=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010916753	0	41	-1.0	-55.33	357.09	5.37	-49.96
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010916754	0	32	-1.0	-48.70	295.05	1.51	-47.19
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010916754	1	31	-2.0	-116.45	284.60	1.85	-114.60
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010916755	0	37	-1.0	-39.05	312.87	5.30	-33.75
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010916756	0	38	-1.0	-48.40	331.68	5.44	-42.96
O=C([O-])C1CCCC1NS(=O)(=O)CCC[NH+]1CCCC1	REAL300010916757	0	44	0.0	-52.35	346.76	4.93	-47.42
C[NH+]1CCN(CCCS(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916758	0	49	0.0	-60.73	378.14	3.04	-57.69
CN1CCN(CCCS(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916758	1	48	-1.0	-42.59	376.48	0.81	-41.78
CN1N=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Br	REAL300010916759	0	32	-1.0	-46.55	302.88	2.18	-44.37
CN1N=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1I	REAL300010916760	0	32	-1.0	-45.22	308.45	2.62	-42.60
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916761	0	36	-1.0	-54.21	312.38	5.21	-49.00
CC(C)OC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916762	0	41	-1.0	-44.61	344.55	2.96	-41.65
CCCCN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=N1	REAL300010916763	0	44	-1.0	-48.86	358.77	4.94	-43.92
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(OC)C=C1F	REAL300010916764	0	42	-1.0	-46.20	366.52	4.46	-41.74
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916765	0	42	-1.0	-63.43	347.36	5.42	-58.01
COC1=C(F)C=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916766	0	36	-1.0	-49.05	312.64	4.01	-45.04
CCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010916767	0	48	-1.0	-46.74	385.34	6.65	-40.09
CC(C)(C)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916768	0	44	-1.0	-45.51	356.86	6.18	-39.33
N#CC1=CC(F)=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916769	0	33	-1.0	-54.13	306.07	4.53	-49.60
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010916770	0	35	-1.0	-41.90	321.63	5.14	-36.76
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010916771	0	51	-1.0	-44.26	403.12	8.48	-35.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300010916772	0	36	-1.0	-50.86	304.87	4.22	-46.64
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Br)NC=N1	REAL300010916773	0	29	-1.0	-49.64	274.45	2.40	-47.24
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010916773	1	28	-2.0	-128.30	272.05	1.75	-126.55
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010916774	0	40	-1.0	-51.27	346.12	4.81	-46.46
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010916775	0	31	-1.0	-43.49	299.39	3.49	-40.00
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010916775	1	30	-2.0	-112.99	296.62	3.03	-109.96
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010916776	0	31	-1.0	-50.35	287.60	2.79	-47.56
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010916776	1	30	-2.0	-119.60	288.95	2.42	-117.18
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)N=C1F	REAL300010916777	0	31	-1.0	-50.97	277.16	2.30	-48.67
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(F)N=C1F	REAL300010916777	1	30	-2.0	-118.77	278.50	1.93	-116.84
COC1=NC=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916778	0	35	-1.0	-42.89	321.33	2.46	-40.43
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010916779	0	37	-1.0	-51.51	330.85	5.26	-46.25
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010916780	0	34	-1.0	-44.39	315.12	4.28	-40.11
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010916781	0	42	-1.0	-50.17	358.92	5.40	-44.77
O=C([O-])C1CCCC1NS(=O)(=O)N=S1(=O)CCCC1	REAL300010916782	0	36	-1.0	-61.43	311.00	1.26	-60.17
O=C([O-])C1CCCC1[N-]S(=O)(=O)N=S1(=O)CCCC1	REAL300010916782	1	35	-2.0	-151.87	299.61	1.70	-150.17
CC1(CS(=O)(=O)NC2CCCC2C(=O)[O-])CC1(Cl)Cl	REAL300010916783	0	35	-1.0	-42.23	319.25	4.79	-37.44
O=C([O-])C1CCCC1NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010916784	0	31	-1.0	-46.68	305.76	2.33	-44.35
CCS(=O)(CC)=NS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916785	0	38	-1.0	-61.51	324.66	1.59	-59.92
CCS(=O)(CC)=NS(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916785	1	37	-2.0	-147.11	316.37	1.41	-145.70
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010916786	0	34	-1.0	-49.23	312.38	5.19	-44.04
O=C([O-])C1CCCC1NS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010916787	0	40	-1.0	-50.31	330.59	3.33	-46.98
CCN1CC(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1=O	REAL300010916788	0	39	-1.0	-50.60	319.24	2.93	-47.67
CCOC(=O)C1(S(=O)(=O)NC2CCCC2C(=O)[O-])CCC1	REAL300010916789	0	41	-1.0	-55.63	330.66	5.16	-50.47
CS(=O)(=O)N1CCC(CS(=O)(=O)NC2CCCC2C(=O)[O-])C1	REAL300010916790	0	43	-1.0	-50.74	363.49	0.53	-50.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010916791	0	33	-1.0	-52.61	324.01	3.17	-49.44
COC(=O)C1=CC=C(CS(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916792	0	41	-1.0	-44.37	356.07	5.34	-39.03
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010916793	0	34	-2.0	-125.32	319.17	4.97	-120.35
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010916793	1	35	-1.0	-56.96	323.63	5.01	-51.95
CN1N=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010916794	0	35	-1.0	-40.63	298.61	2.62	-38.01
CN1N=CC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1C(F)(F)F	REAL300010916794	1	34	-2.0	-114.90	302.80	3.10	-111.80
CN1N=C2CCCCC2=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916795	0	42	-1.0	-53.22	336.15	4.07	-49.15
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC=C1Br	REAL300010916796	0	29	-1.0	-42.36	288.34	3.51	-38.85
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300010916797	0	44	-1.0	-43.63	340.45	4.50	-39.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010916798	0	42	-1.0	-46.61	343.83	4.71	-41.90
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916799	0	35	-1.0	-45.87	302.86	3.10	-42.77
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Br)=N1	REAL300010916800	0	32	-1.0	-44.77	283.70	2.07	-42.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010916801	0	34	-1.0	-52.64	313.80	3.16	-49.48
COC1=CC=C(F)C=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916802	0	39	-1.0	-62.92	333.86	4.56	-58.36
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010916803	0	46	-1.0	-46.71	374.10	5.50	-41.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010916804	0	32	-2.0	-100.03	273.59	3.33	-96.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1O	REAL300010916804	1	33	-1.0	-44.94	294.64	1.75	-43.19
C=CCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916805	0	42	-1.0	-53.58	352.31	7.29	-46.29
COC(=O)C1=CNN=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916806	0	35	-1.0	-66.53	309.84	1.74	-64.79
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916806	1	34	-2.0	-136.91	303.86	1.35	-135.56
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916807	0	35	-1.0	-37.45	319.64	6.08	-31.37
CCC1=NN(C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916808	0	38	-1.0	-47.94	309.12	3.16	-44.78
CC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916809	0	37	-1.0	-44.86	322.68	4.98	-39.88
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916810	0	41	-1.0	-61.48	343.81	2.02	-59.46
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916810	1	40	-2.0	-152.24	335.52	1.87	-150.37
CCCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010916811	0	54	-1.0	-47.81	428.32	8.23	-39.58
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C#N)=C1	REAL300010916812	0	36	-1.0	-54.37	309.69	5.11	-49.26
CC1=CC=CC(C#N)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916813	0	36	-1.0	-69.75	307.66	5.15	-64.60
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010916814	0	35	-1.0	-41.50	314.57	5.37	-36.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=C2CCCC(=O)NC2=C1	REAL300010916815	0	43	-1.0	-45.24	344.85	4.51	-40.73
O=C([O-])C1CCCC1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010916816	0	36	-1.0	-43.73	328.67	5.67	-38.06
CCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300010916817	0	54	-1.0	-48.76	419.39	8.12	-40.64
CCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1CC	REAL300010916818	0	48	-1.0	-47.75	389.91	6.92	-40.83
N#CCCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916819	0	39	-1.0	-59.20	338.86	6.46	-52.74
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916820	0	38	-1.0	-42.56	321.34	6.02	-36.54
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916821	0	46	-1.0	-67.51	358.54	4.20	-63.31
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010916822	0	35	-1.0	-45.33	332.81	5.68	-39.65
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010916823	0	35	-1.0	-45.97	323.69	5.27	-40.70
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010916824	0	42	-1.0	-47.43	359.62	5.88	-41.55
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916825	0	38	-1.0	-41.92	338.23	5.88	-36.04
CC1=CN=C(Cl)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916826	0	34	-1.0	-49.24	304.09	3.64	-45.60
COC1=CC=C(Br)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010916827	0	36	-1.0	-46.15	322.08	4.57	-41.58
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1F	REAL300010916827	1	35	-2.0	-125.60	322.74	4.02	-121.58
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916828	0	42	-1.0	-42.18	353.25	6.19	-35.99
CC(C)(CCS(=O)(=O)NC1CCCC1C(=O)[O-])C1CC1	REAL300010916829	0	44	-1.0	-42.19	341.79	5.41	-36.78
CCOC(=O)C1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])N(C)N=C1	REAL300010916830	0	41	-1.0	-60.65	346.14	3.91	-56.74
O=C([O-])C1CCCC1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010916831	0	36	-1.0	-45.87	325.05	5.61	-40.26
O=C([O-])C1CCCC1NS(=O)(=O)CCCC1=CC=CC=C1	REAL300010916832	0	41	-1.0	-43.13	344.25	6.24	-36.89
O=C([O-])C1CCCC1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010916833	0	37	-1.0	-52.87	306.20	1.41	-51.46
CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C(C(N)=O)O1	REAL300010916834	0	36	-1.0	-67.54	320.76	-0.37	-67.91
CCCC1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916835	0	41	-1.0	-43.36	331.16	6.41	-36.95
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(=O)OC	REAL300010916836	0	44	-1.0	-45.67	380.47	5.98	-39.69
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916837	0	45	-1.0	-45.84	379.99	4.68	-41.16
O=C([O-])C1CCCC1NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010916838	0	41	-1.0	-48.96	339.63	4.68	-44.28
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC=C1C(F)F	REAL300010916839	0	32	-1.0	-44.95	293.70	4.12	-40.83
COC(=O)C1=CC=NC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916840	0	37	-1.0	-61.45	329.84	2.85	-58.60
O=C([O-])C1CCCC1NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010916841	0	38	-1.0	-44.03	329.17	5.53	-38.50
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916842	0	48	-1.0	-47.07	391.76	7.06	-40.01
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010916843	0	37	-1.0	-61.38	315.70	4.61	-56.77
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916844	0	52	-1.0	-52.16	394.25	6.69	-45.47
COC(=O)C1=CN(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916845	0	39	-1.0	-51.41	336.46	4.09	-47.32
N#CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=CS1	REAL300010916846	0	30	-1.0	-51.31	281.55	3.59	-47.72
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916847	0	46	-1.0	-46.93	370.90	4.48	-42.45
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010916848	0	47	-1.0	-56.98	386.06	7.07	-49.91
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916849	0	46	-1.0	-68.41	376.21	6.34	-62.07
COC1=NC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916850	0	35	-1.0	-48.10	299.81	1.87	-46.23
CCC1CCN(S(=O)(=O)NC2CCCC2C(=O)[O-])CC1	REAL300010916851	0	43	-1.0	-58.49	335.58	4.33	-54.16
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010916852	0	39	-2.0	-105.84	323.94	3.57	-102.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010916853	0	39	-1.0	-50.77	325.42	4.07	-46.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010916854	0	39	-1.0	-46.15	321.13	4.37	-41.78
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010916855	0	42	-1.0	-43.43	335.93	5.22	-38.21
COC(=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010916856	0	44	-1.0	-47.39	364.09	7.13	-40.26
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916857	0	45	-1.0	-62.54	362.51	5.89	-56.65
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916858	0	42	-1.0	-52.47	339.55	5.27	-47.20
CC1(C)COC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=NN2C1	REAL300010916859	0	43	-1.0	-52.35	344.21	2.51	-49.84
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010916860	0	38	-1.0	-48.53	346.27	4.87	-43.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010916861	0	38	-1.0	-47.18	329.35	1.15	-46.03
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010916862	0	28	-2.0	-119.76	273.34	2.50	-117.26
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Br)C=CO1	REAL300010916862	1	29	-1.0	-57.59	276.80	2.62	-54.97
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300010916863	0	39	-1.0	-47.60	317.87	4.47	-43.13
COC1=C(F)C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916864	0	36	-1.0	-52.13	324.70	3.62	-48.51
COC1=CC(F)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1F	REAL300010916865	0	36	-1.0	-44.36	320.34	3.38	-40.98
CCCCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010916866	0	57	-1.0	-46.36	449.85	9.02	-37.34
COC1=CC(C(C)C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C	REAL300010916867	0	48	-1.0	-45.30	377.11	5.95	-39.35
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916868	0	42	-1.0	-40.73	340.96	6.08	-34.65
CCOCCOC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1C(C)C	REAL300010916869	0	55	-1.0	-49.52	440.83	6.87	-42.65
CC1=CSC(C)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916870	0	35	-1.0	-41.14	287.34	4.80	-36.34
CC1CC2=CC=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=C2O1	REAL300010916871	0	40	-1.0	-48.61	318.98	5.04	-43.57
CC(C)(C)C1=NC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916872	0	40	-1.0	-47.45	344.08	4.09	-43.36
N#CC1(C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2)CC1	REAL300010916873	0	40	-1.0	-61.64	344.09	6.55	-55.09
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916874	0	36	-1.0	-46.71	313.78	4.56	-42.15
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010916874	1	35	-2.0	-125.14	308.02	4.45	-120.69
CC1=C(Br)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C(C)S1	REAL300010916875	0	35	-1.0	-43.64	318.30	5.17	-38.47
CC1=CC(Cl)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(Br)=C1	REAL300010916876	0	35	-1.0	-45.80	318.25	6.34	-39.46
COC(=O)C1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=N1	REAL300010916877	0	37	-1.0	-43.36	326.34	3.26	-40.10
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916878	0	49	-1.0	-66.08	380.34	6.43	-59.65
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010916879	0	38	-1.0	-49.69	326.31	5.05	-44.64
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C21	REAL300010916880	0	46	-1.0	-65.60	375.72	6.01	-59.59
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC=C1Cl	REAL300010916881	0	29	-1.0	-43.07	284.43	3.40	-39.67
CN1N=C(Br)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916882	0	32	-1.0	-44.63	293.61	2.40	-42.23
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010916883	0	34	-1.0	-42.66	312.84	3.11	-39.55
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916884	0	37	-1.0	-58.75	312.96	3.95	-54.80
O=C([O-])C1CCCC1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300010916885	0	41	-1.0	-45.44	317.71	4.23	-41.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300010916886	0	36	-1.0	-51.28	326.86	4.83	-46.45
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300010916887	0	33	-1.0	-40.32	290.59	3.12	-37.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010916888	0	35	-1.0	-53.73	324.62	3.67	-50.06
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010916889	0	35	-1.0	-47.82	314.22	5.85	-41.97
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916890	0	39	-1.0	-48.98	327.27	3.61	-45.37
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C)=C1F	REAL300010916891	0	41	-1.0	-40.14	321.79	6.49	-33.65
COC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1OC	REAL300010916892	0	40	-1.0	-50.99	335.65	3.79	-47.20
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010916893	0	41	-1.0	-54.25	343.69	1.62	-52.63
N#CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC=C1Br	REAL300010916894	0	33	-1.0	-39.26	315.90	5.30	-33.96
O=C([O-])C1CCCC1NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300010916895	0	35	-1.0	-48.53	309.04	4.23	-44.30
COC1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1OC	REAL300010916896	0	40	-1.0	-53.06	334.74	4.64	-48.42
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2CCCC2C(=O)[O-])=C1	REAL300010916897	0	34	-2.0	-114.32	332.45	3.16	-111.16
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916897	1	35	-1.0	-42.93	334.99	3.75	-39.18
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300010916898	0	45	-1.0	-47.93	351.00	4.97	-42.96
N#CC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C2S1	REAL300010916899	0	36	-1.0	-45.70	327.17	5.70	-40.00
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C2CC2)=N1	REAL300010916900	0	39	-1.0	-50.04	331.52	4.16	-45.88
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916901	0	34	-2.0	-102.42	295.48	4.76	-97.66
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010916902	0	36	-1.0	-53.95	314.35	4.08	-49.87
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12	REAL300010916903	0	36	-1.0	-53.71	326.91	4.84	-48.87
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010916904	0	35	-1.0	-50.15	303.70	3.63	-46.52
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010916904	1	34	-2.0	-129.46	301.03	3.03	-126.43
CN1N=NC2=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=CC=C21	REAL300010916905	0	37	-1.0	-52.14	311.63	2.96	-49.18
O=C([O-])C1CCCC1NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300010916906	0	35	-1.0	-48.53	309.04	4.23	-44.30
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010916907	0	32	-2.0	-108.23	317.82	3.55	-104.68
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1Br	REAL300010916908	0	38	-1.0	-42.29	333.13	6.00	-36.29
CC1(C)CCCN(S(=O)(=O)NC2CCCC2C(=O)[O-])C1	REAL300010916909	0	43	-1.0	-58.47	333.88	4.46	-54.01
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010916910	0	38	-1.0	-42.97	343.83	4.98	-37.99
O=C([O-])C1CCCC1NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010916911	0	35	-1.0	-42.82	302.45	4.49	-38.33
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300010916912	0	42	-1.0	-48.33	335.43	4.34	-43.99
O=C([O-])C1CCCC1NS(=O)(=O)NCCC1=CC=CC=C1	REAL300010916913	0	40	-1.0	-43.63	335.16	3.91	-39.72
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916914	0	50	-1.0	-44.52	387.30	7.80	-36.72
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010916915	0	38	-1.0	-41.59	346.60	6.28	-35.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)SC=C1	REAL300010916916	0	29	-1.0	-43.16	278.84	3.77	-39.39
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010916917	0	42	-1.0	-52.76	349.51	5.04	-47.72
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010916918	0	36	-1.0	-64.25	316.13	5.04	-59.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010916919	0	43	-1.0	-44.98	377.39	6.76	-38.22
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916920	0	45	-1.0	-61.73	364.91	2.91	-58.82
COC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010916921	0	41	-1.0	-56.56	342.40	5.31	-51.25
CCCC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916922	0	41	-1.0	-46.65	339.78	6.61	-40.04
COC(=O)C1=NN(C)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916923	0	38	-1.0	-48.85	324.22	2.41	-46.44
N#CC1=CC=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916924	0	33	-1.0	-43.90	303.34	4.27	-39.63
CN1N=C2CCCC2=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916925	0	39	-1.0	-49.04	321.14	3.91	-45.13
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010916926	0	36	-1.0	-51.87	335.27	5.41	-46.46
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3CCCC3C(=O)[O-])C=C2C=C1	REAL300010916927	0	44	-1.0	-47.54	376.05	7.32	-40.22
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916928	0	41	-1.0	-43.74	314.16	4.07	-39.67
CC(C)(C)N1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=N1	REAL300010916929	0	41	-1.0	-46.19	340.91	4.09	-42.10
O=C([O-])C1CCCC1NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010916930	0	39	-1.0	-46.59	320.36	3.29	-43.30
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300010916931	0	37	-1.0	-44.55	329.70	3.73	-40.82
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010916932	0	35	-1.0	-52.63	324.29	5.15	-47.48
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(CF)C=C1	REAL300010916933	0	35	-1.0	-54.56	303.10	5.32	-49.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010916934	0	32	-1.0	-44.31	298.57	4.69	-39.62
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010916935	0	32	-1.0	-45.04	307.11	4.52	-40.52
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC(F)(F)CC1	REAL300010916936	0	37	-1.0	-52.27	304.19	3.69	-48.58
CC(=O)NCC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916937	0	42	-1.0	-56.79	357.01	3.53	-53.26
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Br)O1	REAL300010916938	0	29	-1.0	-56.20	283.21	2.81	-53.39
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010916938	1	28	-2.0	-117.40	275.97	2.54	-114.86
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010916939	0	35	-1.0	-43.80	327.27	5.82	-37.98
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010916940	0	35	-1.0	-46.08	300.02	5.20	-40.88
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916941	0	43	-1.0	-48.25	359.98	6.44	-41.81
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010916942	0	43	-1.0	-46.84	345.41	7.01	-39.83
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3CCCC3C(=O)[O-])=CC=C21	REAL300010916943	0	42	-1.0	-67.00	359.06	5.76	-61.24
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010916944	0	38	-1.0	-44.30	339.20	4.98	-39.32
O=C([O-])C1CCCC1NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300010916945	0	38	-1.0	-47.29	314.98	4.78	-42.51
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916946	0	37	-1.0	-45.63	318.57	4.91	-40.72
O=C([O-])C1CCCC1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010916947	0	39	-1.0	-61.88	327.48	2.81	-59.07
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916948	0	42	-1.0	-50.77	371.31	5.28	-45.49
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010916949	0	32	-1.0	-42.25	309.01	5.51	-36.74
O=C([O-])C1CCCC1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010916950	0	32	-1.0	-43.53	296.86	4.28	-39.25
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300010916951	0	39	-1.0	-46.67	324.59	6.52	-40.15
COC1=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=CS1	REAL300010916952	0	33	-1.0	-45.24	284.20	2.97	-42.27
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010916953	0	35	-1.0	-41.89	307.71	5.47	-36.42
COC(=O)C1=C(C)SC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916954	0	38	-1.0	-46.81	340.33	4.73	-42.08
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010916955	0	39	-1.0	-45.19	322.16	6.29	-38.90
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010916956	0	42	-1.0	-52.33	337.86	4.48	-47.85
CCC(C)N1N=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916957	0	41	-1.0	-47.36	333.76	3.61	-43.75
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916958	0	41	-1.0	-60.93	346.33	2.02	-58.91
CS(=O)(=O)C1=CSC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916959	0	35	-1.0	-47.73	329.31	0.90	-46.83
CNC(=O)NC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C=C1	REAL300010916960	0	41	-1.0	-60.93	346.33	2.02	-58.91
O=C([O-])C1CCCC1NS(=O)(=O)C=CC1=CC=CS1	REAL300010916961	0	33	-1.0	-47.94	302.78	4.34	-43.60
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010916962	0	35	-1.0	-45.71	301.18	5.37	-40.34
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916963	0	44	-1.0	-52.45	368.04	7.67	-44.78
CN(C1CCCCCC1)S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916964	0	46	-1.0	-55.55	341.29	4.79	-50.76
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010916965	0	32	-1.0	-40.80	299.24	3.63	-37.17
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010916965	1	31	-2.0	-115.87	295.44	3.03	-112.84
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916966	0	36	-1.0	-42.57	320.04	3.90	-38.67
CN1C=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300010916967	0	46	-1.0	-46.88	364.74	3.42	-43.46
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916968	0	38	-1.0	-45.32	328.61	5.93	-39.39
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010916969	0	36	-1.0	-47.25	314.64	3.98	-43.27
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010916970	0	47	-1.0	-58.82	372.70	6.60	-52.22
COC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])S1	REAL300010916971	0	33	-1.0	-45.20	299.17	2.85	-42.35
CC1=CC(C)=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=NC=CC=C12	REAL300010916972	0	43	-1.0	-62.61	345.38	6.94	-55.67
O=C([O-])C1CCCC1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010916973	0	40	-1.0	-58.72	332.68	4.05	-54.67
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300010916974	0	35	-1.0	-43.30	309.07	3.07	-40.23
CCOCC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916975	0	42	-1.0	-48.34	352.31	5.09	-43.25
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1	REAL300010916976	0	41	-1.0	-44.88	355.92	6.04	-38.84
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916977	0	42	-1.0	-51.99	356.61	5.31	-46.68
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010916978	0	45	-1.0	-46.51	362.78	5.30	-41.21
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010916979	0	43	-1.0	-52.06	363.79	7.36	-44.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC=C1CF	REAL300010916980	0	35	-1.0	-43.52	298.69	4.99	-38.53
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010916981	0	44	-1.0	-45.91	367.17	6.65	-39.26
CC1=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=CC(C)=C1Br	REAL300010916982	0	38	-1.0	-53.83	336.52	5.82	-48.01
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010916983	0	37	-1.0	-52.02	333.20	6.01	-46.01
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010916983	1	36	-2.0	-124.22	336.56	5.31	-118.91
O=C([O-])C1CCCC1NS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010916984	0	31	-1.0	-47.00	301.52	2.22	-44.78
N#CC1=CC=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1F	REAL300010916985	0	33	-1.0	-43.32	293.49	4.54	-38.78
O=C([O-])C1CCCC1NS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010916986	0	36	-1.0	-41.69	316.95	3.38	-38.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1[O-]	REAL300010916987	0	32	-2.0	-100.03	273.59	3.33	-96.70
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC(F)=CC=C1O	REAL300010916987	1	33	-1.0	-44.94	294.64	1.75	-43.19
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010916988	0	38	-1.0	-55.77	343.98	5.82	-49.95
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010916988	1	37	-2.0	-118.55	348.84	5.15	-113.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010916989	0	31	-1.0	-42.42	296.32	2.54	-39.88
N#CC1(OCCS(=O)(=O)NC2CCCC2C(=O)[O-])CCOCC1	REAL300010916990	0	44	-1.0	-45.75	361.61	1.70	-44.05
CCN1N=CC(S(=O)(=O)NC2CCCC2C(=O)[O-])=C1Cl	REAL300010916991	0	35	-1.0	-43.06	305.45	2.94	-40.12
O=C([O-])C1CCCC1NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010916992	0	36	-1.0	-45.73	329.07	5.70	-40.03
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1CCCC1C(=O)[O-])=C2	REAL300010916993	0	38	-1.0	-45.65	360.58	5.63	-40.02
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010916994	0	31	-2.0	-121.14	301.76	4.74	-116.40
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916995	0	34	-1.0	-40.42	301.78	3.18	-37.24
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916995	1	33	-2.0	-118.05	312.59	3.10	-114.95
O=C([O-])C1CCCC1NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010916996	0	37	-1.0	-61.65	330.41	5.78	-55.87
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010916997	0	37	-1.0	-54.04	327.33	5.27	-48.77
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916998	0	34	-1.0	-40.42	301.78	3.18	-37.24
O=C([O-])C1CCCC1[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010916998	1	33	-2.0	-118.05	312.59	3.10	-114.95
CC1=CC=C(S(=O)(=O)NC2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300010916999	0	41	-1.0	-50.62	332.98	7.16	-43.46
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1CCCC1C(=O)[O-]	REAL300010917000	0	36	-1.0	-48.23	328.84	4.97	-43.26
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1CCCC1C(=O)[O-]	REAL300010917000	1	35	-2.0	-131.83	323.43	4.79	-127.04
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300010921661	0	39	-1.0	-48.56	318.42	4.48	-44.08
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010921662	0	39	-1.0	-52.61	339.76	4.93	-47.68
COC(=O)C1CCCCC1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921663	0	44	-1.0	-49.79	336.80	5.62	-44.17
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921664	0	47	-1.0	-45.81	369.14	5.71	-40.10
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921665	0	40	-1.0	-47.44	339.53	6.55	-40.89
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921666	0	39	-1.0	-57.13	330.19	3.16	-53.97
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921667	0	40	-1.0	-48.44	326.57	6.17	-42.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010921668	0	37	-1.0	-55.06	331.38	4.85	-50.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010921669	0	32	-1.0	-43.58	303.21	5.49	-38.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010921670	0	34	-1.0	-58.97	285.43	5.88	-53.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)O1	REAL300010921671	0	29	-1.0	-42.35	278.54	3.10	-39.25
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010921671	1	28	-2.0	-117.05	273.14	3.17	-113.88
N#CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300010921672	0	42	-1.0	-44.18	330.73	5.13	-39.05
CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300010921673	0	44	-1.0	-46.25	322.76	5.82	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010921674	0	34	-1.0	-52.34	303.60	5.07	-47.27
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921675	0	36	-1.0	-46.41	323.78	4.22	-42.19
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010921676	0	42	-1.0	-46.84	359.77	5.28	-41.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010921677	0	45	-1.0	-53.32	386.58	5.49	-47.83
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300010921678	0	39	-1.0	-44.37	336.62	2.12	-42.25
CCC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921679	0	34	-1.0	-46.78	305.52	2.97	-43.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010921680	0	44	-1.0	-49.06	359.36	5.83	-43.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010921681	0	32	-1.0	-46.81	290.42	4.99	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010921681	1	31	-2.0	-126.79	286.26	5.20	-121.59
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Cl)=N1	REAL300010921682	0	34	-1.0	-50.11	304.14	3.64	-46.47
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921683	0	37	-1.0	-43.86	319.88	4.94	-38.92
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010921684	0	39	-1.0	-46.29	338.22	5.71	-40.58
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921685	0	36	-1.0	-43.39	330.59	5.88	-37.51
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921686	0	34	-1.0	-49.30	314.79	4.76	-44.54
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921687	0	42	-1.0	-49.74	359.20	0.78	-48.96
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN=C1Cl	REAL300010921688	0	35	-1.0	-45.51	316.79	2.36	-43.15
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921689	0	37	-1.0	-51.87	315.84	4.77	-47.10
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300010921690	0	41	-1.0	-53.41	351.30	5.37	-48.04
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010921691	0	47	-1.0	-51.93	389.13	4.84	-47.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010921692	0	31	-1.0	-38.76	296.56	4.18	-34.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921693	0	50	0.0	-74.51	386.76	5.43	-69.08
CCC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921694	0	41	-1.0	-46.28	342.51	6.55	-39.73
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921695	0	38	-1.0	-47.98	325.48	5.80	-42.18
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921696	0	35	-1.0	-40.63	304.79	5.62	-35.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300010921697	0	36	-1.0	-58.64	313.13	4.42	-54.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010921698	0	32	-1.0	-41.13	294.25	4.80	-36.33
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921699	0	40	-1.0	-52.33	327.21	4.94	-47.39
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300010921700	0	59	-1.0	-51.07	457.78	8.79	-42.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010921701	0	41	-1.0	-49.36	333.35	5.77	-43.59
CC1=CC=CC(F)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921702	0	35	-1.0	-52.30	291.25	5.09	-47.21
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921703	0	46	-1.0	-48.37	392.71	5.86	-42.51
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921704	0	33	-1.0	-42.95	302.66	5.17	-37.78
CC1=NC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300010921705	0	34	-1.0	-50.74	306.11	2.64	-48.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010921706	0	35	-1.0	-43.64	319.35	3.48	-40.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010921707	0	38	-1.0	-46.93	342.50	7.25	-39.68
COC(=O)CCCCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921708	0	43	-1.0	-47.48	359.73	5.08	-42.40
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300010921709	0	37	-1.0	-46.29	319.74	3.53	-42.76
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921710	0	40	-1.0	-53.67	341.04	2.48	-51.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010921712	0	35	-1.0	-43.11	328.45	5.81	-37.30
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921713	0	43	-1.0	-50.70	318.29	2.35	-48.35
COC1=C(F)C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921714	0	38	-1.0	-46.45	338.89	5.24	-41.21
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921715	0	42	-1.0	-41.60	364.48	3.60	-38.00
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010921716	0	43	-1.0	-46.09	374.23	6.24	-39.85
COC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921717	0	42	-1.0	-47.98	347.65	5.12	-42.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010921718	0	35	-1.0	-45.32	314.59	3.15	-42.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010921719	0	43	-1.0	-47.18	357.07	5.57	-41.61
CC1=CC=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010921720	0	40	-1.0	-51.42	321.98	6.01	-45.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010921721	0	35	-1.0	-45.91	307.57	5.27	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010921722	0	35	-1.0	-40.51	312.01	5.20	-35.31
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921723	0	35	-1.0	-44.31	315.69	5.58	-38.73
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921724	0	36	-1.0	-46.01	307.94	5.21	-40.80
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921725	0	43	-1.0	-47.24	342.72	3.82	-43.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010921726	0	44	-1.0	-51.62	362.76	3.73	-47.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010921727	0	40	-1.0	-48.70	344.97	5.67	-43.03
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921728	0	42	-1.0	-41.60	364.48	3.60	-38.00
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921729	0	40	-1.0	-50.27	327.91	4.83	-45.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010921730	0	35	-1.0	-42.24	321.35	5.67	-36.57
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300010921731	0	42	-1.0	-47.73	354.17	5.17	-42.56
COC(=O)C1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=CS1	REAL300010921732	0	38	-1.0	-47.94	323.36	5.12	-42.82
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300010921733	0	36	-1.0	-45.84	311.10	3.78	-42.06
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921734	0	43	-1.0	-44.20	359.80	4.77	-39.43
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921735	0	46	-1.0	-45.23	389.51	5.84	-39.39
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921736	0	41	-1.0	-47.83	322.08	6.01	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010921737	0	46	-1.0	-42.91	387.64	8.02	-34.89
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921738	0	40	-1.0	-44.55	339.67	6.53	-38.02
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921739	0	44	0.0	-66.55	353.76	6.29	-60.26
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921740	0	40	-1.0	-49.41	326.87	4.79	-44.62
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300010921741	0	47	-1.0	-47.88	399.09	7.08	-40.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300010921742	0	35	-1.0	-44.64	310.49	5.00	-39.64
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921743	0	44	-1.0	-42.35	359.54	6.68	-35.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010921744	0	32	-1.0	-45.00	303.52	5.32	-39.68
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010921744	1	31	-2.0	-113.62	304.79	5.34	-108.28
CC1=C(Cl)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921745	0	32	-1.0	-41.90	304.47	4.62	-37.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010921746	0	38	-1.0	-49.56	316.74	4.79	-44.77
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921747	0	36	-1.0	-44.57	302.36	3.48	-41.09
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300010921748	0	40	-1.0	-60.07	331.27	7.32	-52.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010921749	0	38	-1.0	-46.70	336.38	6.17	-40.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010921750	0	42	-1.0	-38.95	354.49	7.11	-31.84
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921751	0	35	-1.0	-37.07	309.92	5.77	-31.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010921752	0	37	-1.0	-53.15	316.61	4.76	-48.39
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921753	0	38	-1.0	-48.67	324.36	5.69	-42.98
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921754	0	40	-1.0	-38.06	327.56	6.13	-31.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010921755	0	32	-1.0	-45.21	300.27	5.38	-39.83
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010921756	0	42	-1.0	-38.95	354.49	7.11	-31.84
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010921757	0	31	-1.0	-41.34	293.16	3.10	-38.24
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010921758	0	32	-1.0	-40.47	311.51	5.48	-34.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010921759	0	43	-1.0	-46.81	371.93	4.23	-42.58
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010921760	0	31	-2.0	-118.05	290.01	4.86	-113.19
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921761	0	42	-1.0	-51.08	335.53	5.83	-45.25
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921762	0	35	-1.0	-44.24	302.56	1.09	-43.15
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C#N	REAL300010921763	0	36	-1.0	-42.13	315.78	5.29	-36.84
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921764	0	38	-1.0	-43.29	334.69	5.10	-38.19
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921765	0	36	-1.0	-42.84	318.38	5.05	-37.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010921766	0	33	-1.0	-48.49	302.89	3.19	-45.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010921767	0	45	-1.0	-45.16	364.63	7.52	-37.64
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300010921768	0	43	-1.0	-45.82	357.66	4.96	-40.86
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010921769	0	49	-1.0	-45.24	369.10	10.82	-34.42
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010921770	0	46	-1.0	-47.91	365.57	6.44	-41.47
COC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921771	0	39	-1.0	-43.29	311.44	4.39	-38.90
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921772	0	37	-1.0	-49.36	325.34	3.26	-46.10
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921773	0	33	-1.0	-44.07	315.88	5.31	-38.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010921774	0	34	-1.0	-38.80	319.72	5.77	-33.03
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010921774	1	33	-2.0	-108.01	323.97	6.03	-101.98
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921775	0	39	-1.0	-40.32	329.02	4.86	-35.46
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921776	0	38	-1.0	-44.53	349.98	5.26	-39.27
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921777	0	39	-1.0	-50.51	323.79	4.28	-46.23
COC1=CC(Cl)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010921778	0	40	-1.0	-44.98	340.15	3.97	-41.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010921779	0	36	-1.0	-46.00	320.85	4.05	-41.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010921780	0	35	-1.0	-44.96	319.71	5.46	-39.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921781	0	43	-1.0	-47.28	367.04	1.48	-45.80
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2S1	REAL300010921782	0	44	-1.0	-48.97	390.01	7.46	-41.51
N#CCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921783	0	36	-1.0	-50.36	317.63	5.57	-44.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010921784	0	38	-1.0	-52.07	326.72	3.59	-48.48
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300010921785	0	37	-1.0	-58.77	332.16	0.01	-58.76
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921786	0	38	-1.0	-43.25	327.46	4.84	-38.41
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921787	0	40	-1.0	-47.88	345.45	6.10	-41.78
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(Br)=C1	REAL300010921788	0	36	-1.0	-43.07	312.59	4.24	-38.83
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])OCO2	REAL300010921789	0	38	-1.0	-40.89	309.88	3.57	-37.32
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921790	0	38	-1.0	-50.38	317.51	5.78	-44.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010921791	0	32	-1.0	-42.88	299.20	5.32	-37.56
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921792	0	38	-1.0	-42.10	309.02	5.92	-36.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010921793	0	32	-1.0	-39.63	299.86	5.44	-34.19
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])OCC(=O)N2	REAL300010921794	0	42	-1.0	-47.49	343.85	1.59	-45.90
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010921795	0	33	-2.0	-112.96	319.95	5.65	-107.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010921795	1	34	-1.0	-41.32	320.95	5.53	-35.79
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921796	0	30	-1.0	-42.07	285.99	3.88	-38.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010921797	0	34	-1.0	-37.05	312.19	5.26	-31.79
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010921797	1	33	-2.0	-109.33	315.75	5.32	-104.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010921798	0	32	-1.0	-39.42	300.98	5.62	-33.80
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010921798	1	31	-2.0	-113.52	300.30	5.52	-108.00
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010921799	0	33	-1.0	-47.17	292.17	2.97	-44.20
COC1=CN=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921800	0	35	-1.0	-47.13	299.98	1.87	-45.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010921801	0	32	-1.0	-47.76	296.93	4.91	-42.85
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300010921802	0	42	-1.0	-49.81	357.46	5.12	-44.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010921803	0	32	-1.0	-41.03	299.88	5.43	-35.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010921804	0	35	-1.0	-45.95	313.28	5.54	-40.41
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921805	0	35	-1.0	-57.26	320.18	1.89	-55.37
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921805	1	34	-2.0	-106.77	317.18	0.75	-106.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010921806	0	35	-1.0	-45.82	317.85	5.64	-40.18
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921807	0	36	-1.0	-53.02	326.63	1.70	-51.32
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921808	0	41	-1.0	-53.86	335.93	6.72	-47.14
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921809	0	40	-1.0	-51.25	330.44	2.09	-49.16
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921810	0	36	-1.0	-52.87	331.19	1.81	-51.06
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921811	0	39	-1.0	-46.36	326.72	4.64	-41.72
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300010921812	0	43	-1.0	-49.14	339.44	5.66	-43.48
N#CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010921813	0	36	-1.0	-45.58	332.05	5.60	-39.98
COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921814	0	41	-1.0	-37.15	338.70	2.76	-34.39
CC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921815	0	41	-1.0	-46.90	339.55	6.50	-40.40
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921816	0	39	-1.0	-49.72	343.80	4.85	-44.87
N#CC1CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300010921817	0	36	-1.0	-40.30	299.54	1.32	-38.98
CCN(CC(C)C#N)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921818	0	40	-1.0	-43.75	326.09	4.24	-39.51
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010921819	0	35	-1.0	-51.50	298.08	3.29	-48.21
N#CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921820	0	33	-1.0	-53.54	309.67	4.78	-48.76
N#CC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921821	0	33	-1.0	-47.92	311.72	4.94	-42.98
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921822	0	38	-1.0	-40.17	322.57	6.03	-34.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=C2CCC(=O)C2=C1	REAL300010921823	0	38	-1.0	-48.05	329.53	5.75	-42.30
COCCOCCOCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921824	0	46	-1.0	-50.99	384.25	1.70	-49.29
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921825	0	42	-1.0	-51.06	362.32	2.05	-49.01
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010921826	0	31	-2.0	-120.21	291.25	5.29	-114.92
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010921826	1	32	-1.0	-48.21	293.32	5.11	-43.10
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2CC1	REAL300010921827	0	49	-1.0	-49.29	378.96	6.12	-43.17
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300010921828	0	41	-1.0	-41.80	360.69	5.84	-35.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010921829	0	42	-1.0	-49.25	364.45	6.29	-42.96
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921830	0	41	-1.0	-46.15	346.45	6.96	-39.19
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921831	0	41	-1.0	-42.76	329.49	6.32	-36.44
CN(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010921832	0	39	-1.0	-58.88	312.45	3.32	-55.56
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921833	0	42	-1.0	-47.57	356.10	3.39	-44.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010921834	0	32	-1.0	-42.64	289.73	4.69	-37.95
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010921834	1	31	-2.0	-122.76	291.85	4.79	-117.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010921835	0	45	-1.0	-45.51	376.70	5.79	-39.72
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010921836	0	41	-1.0	-44.03	365.58	6.34	-37.69
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1Cl	REAL300010921836	1	40	-2.0	-117.22	364.23	6.25	-110.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010921837	0	34	-1.0	-45.75	318.52	6.08	-39.67
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010921837	1	33	-2.0	-116.89	316.45	6.29	-110.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010921838	0	41	-1.0	-48.98	336.88	1.42	-47.56
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921839	0	39	-2.0	-120.39	337.43	5.71	-114.68
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300010921840	0	43	-1.0	-54.35	366.11	4.46	-49.89
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010921841	0	44	-1.0	-46.38	368.04	6.43	-39.95
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921842	0	46	-1.0	-61.46	386.92	2.60	-58.86
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921843	0	43	-1.0	-47.58	356.72	4.25	-43.33
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921844	0	45	-1.0	-45.56	378.18	6.12	-39.44
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C	REAL300010921845	0	44	-1.0	-46.46	360.50	6.34	-40.12
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300010921846	0	35	-1.0	-46.37	307.94	5.65	-40.72
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921847	0	44	-1.0	-50.65	374.22	6.77	-43.88
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921848	0	38	-1.0	-45.97	350.45	6.90	-39.07
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921848	1	37	-2.0	-125.91	343.59	7.15	-118.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010921849	0	35	-1.0	-44.39	310.38	5.57	-38.82
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921850	0	48	-1.0	-44.15	375.53	5.78	-38.37
CC1=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300010921851	0	37	-1.0	-46.40	324.17	3.64	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010921852	0	38	-1.0	-43.91	337.71	6.26	-37.65
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921853	0	41	-1.0	-47.54	348.91	5.73	-41.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010921854	0	42	-1.0	-52.07	349.58	7.82	-44.25
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921855	0	46	-1.0	-51.16	394.54	2.18	-48.98
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010921856	0	35	-1.0	-50.75	314.44	5.54	-45.21
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300010921857	0	44	-1.0	-53.69	378.66	5.45	-48.24
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010921858	0	38	-1.0	-58.41	345.88	2.34	-56.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010921859	0	36	-1.0	-47.99	320.52	5.31	-42.68
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010921860	0	35	-1.0	-49.55	309.56	5.32	-44.23
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921861	0	34	-1.0	-42.75	295.11	3.65	-39.10
CC1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300010921862	0	35	-1.0	-55.30	314.39	3.59	-51.71
CC1=NC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C(Br)N1C	REAL300010921862	1	34	-2.0	-132.38	310.78	3.86	-128.52
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010921863	0	33	-1.0	-40.21	298.78	3.26	-36.95
COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921864	0	40	-1.0	-47.99	324.80	4.15	-43.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921865	0	45	-1.0	-59.25	360.82	5.11	-54.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010921866	0	35	-2.0	-110.50	316.49	4.62	-105.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010921866	1	36	-1.0	-38.39	317.88	3.46	-34.93
CCOC(=O)CC1(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921867	0	41	-1.0	-41.92	329.89	5.49	-36.43
N#CC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921868	0	33	-1.0	-42.01	316.91	5.26	-36.75
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300010921868	1	32	-2.0	-112.40	315.56	5.17	-107.23
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921869	0	43	-1.0	-50.17	368.73	4.21	-45.96
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010921870	0	47	-1.0	-47.20	380.94	7.05	-40.15
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921871	0	44	-1.0	-54.37	379.06	3.60	-50.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010921872	0	37	-1.0	-44.38	321.82	1.60	-42.78
COC(=O)C1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCC1	REAL300010921873	0	44	-1.0	-47.66	349.52	5.36	-42.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010921874	0	31	-1.0	-41.80	306.72	3.60	-38.20
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921875	0	39	-1.0	-45.06	344.79	4.53	-40.53
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300010921876	0	38	-1.0	-42.44	330.19	5.90	-36.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010921877	0	43	-1.0	-46.84	380.88	7.68	-39.16
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921878	0	41	-1.0	-50.27	352.44	5.82	-44.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010921879	0	34	-1.0	-48.63	292.12	4.21	-44.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300010921880	0	42	-1.0	-45.06	324.39	5.64	-39.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010921881	0	38	-1.0	-48.10	337.43	6.36	-41.74
COC(=O)C1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCC1	REAL300010921882	0	41	-1.0	-44.41	337.79	4.75	-39.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010921883	0	32	-1.0	-40.36	308.09	4.58	-35.78
N#CC1=CC(F)=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921884	0	36	-1.0	-52.48	324.38	5.24	-47.24
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921885	0	45	-1.0	-49.48	385.22	4.77	-44.71
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921886	0	48	-1.0	-53.83	407.09	5.70	-48.13
COC(=O)C1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300010921887	0	47	-1.0	-48.01	362.17	5.75	-42.26
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN=C1C	REAL300010921888	0	40	-1.0	-44.67	341.69	3.71	-40.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010921889	0	36	-1.0	-49.70	322.06	4.12	-45.58
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921890	0	41	-1.0	-43.24	368.77	6.49	-36.75
N#CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921891	0	33	-1.0	-45.35	302.09	4.85	-40.50
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CCOCC1	REAL300010921892	0	42	-1.0	-44.31	332.18	3.67	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010921893	0	48	-1.0	-53.80	408.09	6.27	-47.53
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300010921894	0	35	-1.0	-46.40	301.76	4.66	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010921895	0	34	-1.0	-45.67	321.00	3.93	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300010921896	0	45	-1.0	-45.13	333.08	6.25	-38.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010921897	0	41	-1.0	-52.01	337.87	5.92	-46.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010921898	0	33	-1.0	-44.30	302.47	3.66	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010921899	0	38	-1.0	-45.41	331.80	5.98	-39.43
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010921900	0	35	-1.0	-54.74	305.28	2.99	-51.75
CN1C=C(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300010921900	1	34	-2.0	-122.54	310.05	3.31	-119.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010921901	0	34	-1.0	-46.32	307.54	6.46	-39.86
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010921901	1	33	-2.0	-115.53	310.03	6.58	-108.95
COC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(F)C=C1C	REAL300010921902	0	41	-1.0	-46.66	346.17	5.49	-41.17
CC1=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2N=C1Cl	REAL300010921903	0	40	-1.0	-50.08	351.84	5.79	-44.29
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300010921904	0	41	-1.0	-48.15	328.50	5.48	-42.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010921905	0	42	-1.0	-47.31	355.05	5.16	-42.15
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300010921906	0	59	-1.0	-46.18	429.03	10.09	-36.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010921907	0	37	-1.0	-50.54	322.86	6.06	-44.48
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921908	0	44	-1.0	-44.44	376.29	6.70	-37.74
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921909	0	37	-1.0	-56.78	308.02	4.01	-52.77
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921910	0	39	-1.0	-44.85	343.92	4.72	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010921911	0	39	-1.0	-47.40	324.64	6.49	-40.91
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300010921912	0	44	-1.0	-48.43	355.23	5.98	-42.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010921913	0	40	-1.0	-47.71	334.74	5.23	-42.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010921914	0	35	-1.0	-46.16	311.63	4.84	-41.32
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010921914	1	34	-2.0	-122.17	305.80	4.68	-117.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010921915	0	35	-1.0	-46.79	323.82	6.05	-40.74
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010921915	1	34	-2.0	-124.95	322.58	6.42	-118.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010921916	0	35	-1.0	-42.15	325.77	5.76	-36.39
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921917	0	41	-1.0	-54.10	359.46	2.61	-51.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010921918	0	35	-1.0	-51.14	302.11	4.94	-46.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CCCCC1	REAL300010921919	0	44	-1.0	-44.44	341.05	6.07	-38.37
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300010921920	0	41	-1.0	-50.02	342.56	7.31	-42.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CS1	REAL300010921921	0	29	-1.0	-42.63	277.54	3.58	-39.05
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=C(Cl)C=CS1	REAL300010921921	1	28	-2.0	-118.66	273.57	4.08	-114.58
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921922	0	41	-1.0	-40.86	354.69	6.11	-34.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010921923	0	47	-1.0	-51.22	397.00	4.94	-46.28
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921924	0	45	-1.0	-56.12	369.83	4.62	-51.50
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010921925	0	35	-1.0	-50.89	316.52	5.45	-45.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010921926	0	38	-1.0	-48.42	316.93	6.37	-42.05
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300010921927	0	50	-1.0	-44.84	365.03	8.67	-36.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010921928	0	37	-1.0	-46.93	311.56	4.08	-42.85
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010921929	0	39	-1.0	-48.18	331.38	4.12	-44.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010921930	0	34	-1.0	-50.60	323.54	4.33	-46.27
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921931	0	40	-1.0	-46.58	337.07	4.19	-42.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010921932	0	40	-1.0	-49.52	346.98	2.81	-46.71
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921933	0	37	-1.0	-49.71	329.63	-0.64	-50.35
CC(C)(CCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300010921934	0	43	-1.0	-61.27	349.14	1.52	-59.75
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010921935	0	36	-1.0	-45.27	320.90	4.26	-41.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010921936	0	35	-1.0	-52.71	310.96	1.97	-50.74
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921937	0	45	-1.0	-45.35	363.21	5.07	-40.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010921938	0	37	-1.0	-50.52	306.08	4.66	-45.86
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010921939	0	41	-1.0	-49.27	340.89	7.31	-41.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010921940	0	36	-1.0	-50.79	318.18	4.51	-46.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010921941	0	36	-1.0	-50.78	328.51	4.96	-45.82
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921942	0	41	-1.0	-52.60	357.80	5.89	-46.71
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921943	0	45	-1.0	-44.44	374.13	5.66	-38.78
COC(CC(C)C)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921944	0	44	-1.0	-46.16	345.62	4.45	-41.71
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921945	0	36	-1.0	-42.92	308.08	4.60	-38.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010921946	0	35	-1.0	-44.67	332.41	6.04	-38.63
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCC1CCOC1	REAL300010921947	0	42	-1.0	-46.43	333.93	3.60	-42.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010921948	0	35	-1.0	-46.48	331.07	6.05	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010921949	0	35	-1.0	-40.95	312.57	3.41	-37.54
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010921950	0	40	-1.0	-42.38	337.75	6.23	-36.15
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921951	0	48	-1.0	-46.24	377.82	6.85	-39.39
N#CCC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921952	0	39	-1.0	-51.95	341.86	6.28	-45.67
COC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921953	0	35	-1.0	-43.30	318.65	1.65	-41.65
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300010921954	0	41	-1.0	-43.09	349.32	5.77	-37.32
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921955	0	41	-1.0	-44.58	366.47	5.96	-38.62
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010921956	0	35	-1.0	-43.00	316.35	5.63	-37.37
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300010921957	0	35	-1.0	-43.17	311.29	5.48	-37.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010921958	0	38	-1.0	-48.86	323.50	5.41	-43.45
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300010921959	0	41	-1.0	-47.09	361.62	5.85	-41.24
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010921960	0	38	-1.0	-53.41	346.10	5.48	-47.93
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010921960	1	37	-2.0	-126.84	345.21	5.59	-121.25
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921961	0	41	-1.0	-48.25	347.50	5.44	-42.81
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921962	0	39	-1.0	-47.71	326.75	4.61	-43.10
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921963	0	38	-1.0	-45.41	333.55	6.05	-39.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCC1CCOCC1	REAL300010921964	0	45	-1.0	-45.14	354.60	4.28	-40.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010921965	0	47	-1.0	-43.87	389.99	2.21	-41.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010921966	0	40	-1.0	-49.40	322.81	5.86	-43.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010921967	0	39	-1.0	-50.84	340.52	2.26	-48.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010921968	0	32	-1.0	-40.18	297.98	4.97	-35.21
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC(Br)=C1	REAL300010921969	0	32	-1.0	-42.31	304.35	4.87	-37.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010921970	0	41	-1.0	-51.70	331.89	4.92	-46.78
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921971	0	42	-1.0	-52.70	340.17	3.21	-49.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010921972	0	38	-1.0	-46.18	324.55	5.89	-40.29
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1F	REAL300010921973	0	38	-1.0	-50.33	325.68	5.93	-44.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010921974	0	38	-1.0	-48.42	333.93	6.31	-42.11
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300010921975	0	36	-1.0	-40.88	325.96	5.35	-35.53
COC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C(=O)NCCC2	REAL300010921976	0	47	-1.0	-51.62	367.60	3.39	-48.23
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])S2)C1	REAL300010921977	0	43	-1.0	-43.64	364.61	4.87	-38.77
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010921978	0	39	-1.0	-43.54	342.78	6.33	-37.21
COC1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300010921979	0	41	-1.0	-43.88	324.90	2.55	-41.33
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCOC1	REAL300010921980	0	43	-1.0	-46.74	340.30	2.33	-44.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010921981	0	35	-1.0	-46.85	320.72	5.62	-41.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010921982	0	35	-1.0	-47.11	317.50	5.50	-41.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010921983	0	32	-1.0	-42.65	311.02	5.44	-37.21
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300010921984	0	39	-1.0	-51.65	328.90	1.75	-49.90
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921985	0	57	-1.0	-45.96	455.73	9.31	-36.65
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300010921986	0	47	-1.0	-51.97	385.28	6.73	-45.24
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010921987	0	32	-1.0	-40.27	302.39	5.07	-35.20
COC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300010921988	0	38	-1.0	-43.29	334.69	5.10	-38.19
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010921989	0	46	-1.0	-47.60	383.93	7.45	-40.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010921990	0	46	-1.0	-51.33	392.86	7.76	-43.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=NC=CC=C1Br	REAL300010921991	0	31	-1.0	-48.83	285.21	3.34	-45.49
O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010921991	1	30	-2.0	-125.90	280.10	3.35	-122.55
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2)=N1	REAL300010921992	0	44	-1.0	-44.03	363.88	4.12	-39.91
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300010921993	0	42	-1.0	-47.67	356.80	5.51	-42.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010921994	0	44	-1.0	-49.12	359.42	5.85	-43.27
COC(=O)C1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N(C)N=C1	REAL300010921995	0	38	-1.0	-45.12	319.38	3.28	-41.84
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300010921996	0	40	-1.0	-44.00	349.78	3.11	-40.89
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300010921997	0	44	-1.0	-44.99	360.99	7.09	-37.90
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300010921998	0	43	-1.0	-48.27	360.03	3.48	-44.79
CCOC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300010921999	0	42	-1.0	-46.21	342.37	4.50	-41.71
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010922000	0	38	-1.0	-53.13	335.77	5.04	-48.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])=C1F	REAL300010922000	1	37	-2.0	-125.97	334.88	5.15	-120.82
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010936285	0	34	-1.0	-41.01	307.57	4.42	-36.59
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936286	0	42	-1.0	-47.13	309.77	0.32	-46.81
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936287	0	36	-1.0	-45.79	312.54	4.83	-40.96
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936288	0	37	-1.0	-42.94	315.57	3.78	-39.16
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936289	0	41	-1.0	-44.12	344.01	2.33	-41.79
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010936290	0	42	-1.0	-55.21	350.66	4.74	-50.47
COC1=CC=C(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936291	0	41	-1.0	-46.29	326.93	3.86	-42.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010936292	0	46	-1.0	-47.35	377.05	4.27	-43.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010936293	0	34	-1.0	-49.19	288.96	1.68	-47.51
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010936294	0	42	-1.0	-46.39	333.25	4.36	-42.03
CC1=CC=NC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C12	REAL300010936295	0	39	-1.0	-50.62	311.67	4.18	-46.44
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300010936296	0	39	-1.0	-44.55	332.14	2.68	-41.87
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010936297	0	34	-1.0	-44.99	285.30	3.87	-41.12
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010936298	0	34	-1.0	-41.79	298.05	4.04	-37.75
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936299	0	34	-1.0	-43.57	294.81	4.20	-39.37
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936300	0	35	-1.0	-46.54	289.07	4.06	-42.48
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300010936301	0	38	-1.0	-46.90	324.80	2.53	-44.37
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936302	0	42	-1.0	-53.41	332.75	2.89	-50.52
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010936303	0	43	-1.0	-47.68	343.37	2.89	-44.79
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010936304	0	37	-1.0	-45.21	332.55	1.05	-44.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010936305	0	39	-1.0	-45.28	320.95	4.07	-41.21
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936306	0	41	-1.0	-44.12	344.01	2.33	-41.79
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936307	0	39	-1.0	-45.17	305.62	3.42	-41.75
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010936308	0	34	-1.0	-45.01	298.45	4.32	-40.69
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(OC)=C1	REAL300010936309	0	41	-1.0	-45.85	336.60	3.45	-42.40
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=CS1	REAL300010936310	0	37	-1.0	-47.02	305.28	4.10	-42.92
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1F	REAL300010936311	0	35	-1.0	-43.29	287.49	2.29	-41.00
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936312	0	42	-1.0	-48.89	342.81	3.01	-45.88
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936313	0	45	-1.0	-47.99	369.41	4.16	-43.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010936314	0	45	-1.0	-45.52	369.12	6.31	-39.21
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936315	0	39	-1.0	-48.28	325.11	5.12	-43.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010936316	0	31	-1.0	-40.54	295.39	4.15	-36.39
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010936316	1	30	-2.0	-101.05	297.26	4.31	-96.74
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936317	0	43	0.0	-70.47	330.47	4.83	-65.64
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936318	0	39	-1.0	-45.64	304.60	3.36	-42.28
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2O1	REAL300010936319	0	46	-1.0	-45.56	375.55	5.59	-39.97
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936320	0	43	-1.0	-49.21	344.73	5.29	-43.92
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010936321	0	31	-1.0	-41.56	288.29	4.13	-37.43
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010936321	1	30	-2.0	-100.24	290.81	4.30	-95.94
CC1=C(Cl)SC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936322	0	31	-1.0	-42.23	279.81	3.07	-39.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010936323	0	37	-1.0	-44.83	297.19	3.39	-41.44
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936324	0	35	-1.0	-44.58	288.76	2.38	-42.20
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300010936325	0	39	-1.0	-53.90	306.81	6.11	-47.79
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010936326	0	37	-1.0	-44.92	313.12	4.72	-40.20
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010936327	0	41	-1.0	-41.72	339.06	5.78	-35.94
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936328	0	34	-1.0	-42.40	295.15	4.38	-38.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010936329	0	36	-1.0	-45.52	292.88	3.28	-42.24
CC1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936330	0	37	-1.0	-45.73	302.59	4.46	-41.27
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936331	0	39	-1.0	-48.11	312.56	4.92	-43.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010936332	0	31	-1.0	-43.34	284.76	4.23	-39.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010936333	0	33	-1.0	-41.41	296.63	5.02	-36.39
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010936333	1	32	-2.0	-103.06	303.73	5.40	-97.66
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010936334	0	41	-1.0	-41.72	339.06	5.78	-35.94
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010936335	0	30	-1.0	-41.39	270.47	1.61	-39.78
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010936336	0	31	-1.0	-42.59	287.18	3.96	-38.63
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010936337	0	42	-1.0	-46.76	348.21	2.64	-44.12
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010936338	0	30	-2.0	-104.62	276.72	3.58	-101.04
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936339	0	41	-1.0	-47.30	315.10	4.83	-42.47
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936340	0	37	-1.0	-47.81	310.36	3.58	-44.23
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936341	0	35	-1.0	-45.59	298.96	3.16	-42.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010936342	0	32	-1.0	-46.63	278.56	1.77	-44.86
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010936343	0	44	-1.0	-46.11	340.91	6.36	-39.75
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=NO1	REAL300010936344	0	42	-1.0	-46.25	334.03	3.79	-42.46
CC(C)(CC(=O)[O-])NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010936345	0	48	-1.0	-46.44	356.01	9.24	-37.20
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C12	REAL300010936346	0	45	-1.0	-45.30	346.74	5.14	-40.16
COC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936347	0	38	-1.0	-46.30	297.61	3.01	-43.29
COC(=O)C1=CN=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936348	0	36	-1.0	-44.65	301.99	1.69	-42.96
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010936349	0	32	-1.0	-44.23	292.28	3.82	-40.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010936350	0	33	-1.0	-41.85	306.68	4.58	-37.27
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010936350	1	32	-2.0	-96.62	309.44	4.79	-91.83
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936351	0	38	-1.0	-45.33	314.01	3.59	-41.74
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936352	0	37	-1.0	-42.13	327.63	3.66	-38.47
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936353	0	38	-1.0	-46.72	301.42	2.55	-44.17
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OC	REAL300010936354	0	39	-1.0	-44.40	324.92	2.81	-41.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010936355	0	35	-1.0	-45.72	296.52	2.54	-43.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010936356	0	34	-1.0	-43.44	296.43	3.99	-39.45
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936357	0	42	-1.0	-48.93	343.05	-0.15	-49.08
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2S1	REAL300010936358	0	43	-1.0	-44.94	366.46	5.96	-38.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010936359	0	37	-1.0	-52.63	312.80	2.79	-49.84
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010936360	0	36	-1.0	-52.70	308.93	-1.48	-54.18
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936361	0	37	-1.0	-44.59	314.03	3.75	-40.84
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936362	0	39	-1.0	-50.91	329.05	4.83	-46.08
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(Br)=C1	REAL300010936363	0	35	-1.0	-43.64	299.09	3.04	-40.60
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-])OCO2	REAL300010936364	0	37	-1.0	-45.87	294.11	2.37	-43.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010936365	0	37	-1.0	-43.87	319.75	4.02	-39.85
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936366	0	37	-1.0	-46.14	304.04	4.18	-41.96
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010936367	0	31	-1.0	-41.42	283.03	4.09	-37.33
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936368	0	37	-1.0	-41.53	285.73	4.53	-37.00
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010936369	0	31	-1.0	-42.21	286.09	4.24	-37.97
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-])OCC(=O)N2	REAL300010936370	0	41	-1.0	-48.41	332.61	0.00	-48.41
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010936371	0	32	-2.0	-99.12	305.53	4.40	-94.72
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010936371	1	33	-1.0	-41.08	303.71	4.21	-36.87
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010936372	0	33	-1.0	-40.42	299.93	4.13	-36.29
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010936372	1	32	-2.0	-95.20	301.80	4.28	-90.92
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010936373	0	31	-1.0	-41.17	281.19	4.21	-36.96
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010936373	1	30	-2.0	-100.02	285.66	4.57	-95.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010936374	0	32	-1.0	-47.54	278.45	1.32	-46.22
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010936375	0	31	-1.0	-44.26	279.92	3.65	-40.61
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OC	REAL300010936376	0	41	-1.0	-46.16	333.89	3.63	-42.53
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010936377	0	31	-1.0	-41.23	286.65	4.29	-36.94
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010936378	0	34	-1.0	-45.90	292.65	4.29	-41.61
CC(=O)NC1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936379	0	34	-1.0	-50.26	295.82	0.35	-49.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936379	1	33	-2.0	-90.94	293.31	-0.64	-91.58
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010936380	0	34	-1.0	-45.86	297.22	4.39	-41.47
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010936381	0	35	-1.0	-47.34	303.01	0.21	-47.13
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936382	0	40	-1.0	-48.79	318.14	5.33	-43.46
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936383	0	39	-1.0	-47.52	312.26	1.35	-46.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010936384	0	35	-1.0	-47.15	307.57	0.31	-46.84
CCOC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936385	0	38	-1.0	-44.90	304.46	3.23	-41.67
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010936386	0	42	-1.0	-47.98	331.48	4.24	-43.74
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010936387	0	35	-1.0	-45.91	308.78	4.10	-41.81
COCCN(CCC#N)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936388	0	40	-1.0	-48.64	310.71	1.87	-46.77
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936389	0	38	-1.0	-46.28	323.43	3.69	-42.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010936390	0	34	-1.0	-46.15	280.27	1.65	-44.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010936391	0	32	-1.0	-46.30	291.08	3.79	-42.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010936392	0	32	-1.0	-44.59	292.35	3.88	-40.71
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936393	0	37	-1.0	-42.28	308.27	4.84	-37.44
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936394	0	48	-1.0	-48.90	389.87	2.72	-46.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010936395	0	37	-1.0	-49.97	314.17	4.53	-45.44
COCCOCCOCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936396	0	45	-1.0	-47.72	361.39	0.38	-47.34
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936397	0	41	-1.0	-51.71	342.93	0.17	-51.54
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010936398	0	30	-2.0	-108.64	277.98	4.04	-104.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010936398	1	31	-1.0	-46.50	273.30	3.75	-42.75
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2CC1	REAL300010936399	0	48	-1.0	-52.22	365.28	4.88	-47.34
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010936400	0	40	-1.0	-47.92	336.72	4.38	-43.54
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1OC	REAL300010936401	0	41	-1.0	-44.25	346.25	4.57	-39.68
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936402	0	40	-1.0	-43.87	330.44	5.77	-38.10
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936403	0	40	-1.0	-43.60	326.27	5.48	-38.12
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936404	0	41	-1.0	-49.63	332.34	2.03	-47.60
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936405	0	45	-1.0	-49.19	365.64	4.39	-44.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010936406	0	31	-1.0	-43.15	276.04	3.56	-39.59
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010936406	1	30	-2.0	-107.43	277.87	3.75	-103.68
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010936407	0	44	-1.0	-47.13	352.94	4.62	-42.51
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010936408	0	40	-1.0	-42.43	348.46	5.04	-37.39
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010936408	1	39	-2.0	-102.07	350.29	5.22	-96.85
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010936409	0	33	-1.0	-43.77	296.74	4.64	-39.13
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010936409	1	32	-2.0	-103.90	303.19	5.03	-98.87
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010936410	0	40	-1.0	-53.50	313.74	0.20	-53.30
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936411	0	38	-2.0	-106.01	322.99	4.64	-101.37
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1OC	REAL300010936412	0	42	-1.0	-47.75	347.90	2.75	-45.00
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(F)C=C1C	REAL300010936413	0	43	-1.0	-43.98	351.66	5.22	-38.76
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936414	0	45	-1.0	-51.04	364.64	1.21	-49.83
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936415	0	42	-1.0	-48.72	337.30	2.38	-46.34
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936416	0	44	-1.0	-50.65	358.80	4.26	-46.39
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1C	REAL300010936417	0	43	-1.0	-43.87	342.26	4.94	-38.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010936418	0	34	-1.0	-44.36	289.68	4.36	-40.00
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936419	0	43	-1.0	-48.37	350.91	5.27	-43.10
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936420	0	37	-1.0	-44.58	323.65	5.52	-39.06
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936420	1	36	-2.0	-111.33	328.96	5.85	-105.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010936421	0	34	-1.0	-42.78	294.78	5.01	-37.77
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936422	0	47	-1.0	-44.58	352.43	4.44	-40.14
CC1=C(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])SC=N1	REAL300010936423	0	36	-1.0	-45.21	300.88	2.25	-42.96
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010936424	0	37	-1.0	-44.79	314.15	5.07	-39.72
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936425	0	40	-1.0	-47.38	336.10	4.64	-42.74
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010936426	0	41	-1.0	-45.50	327.30	6.42	-39.08
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936427	0	45	-1.0	-48.57	371.23	0.72	-47.85
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010936428	0	34	-1.0	-44.67	292.76	4.30	-40.37
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1C	REAL300010936429	0	43	-1.0	-49.55	353.04	4.11	-45.44
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010936430	0	37	-1.0	-47.13	321.56	0.81	-46.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010936431	0	35	-1.0	-46.32	298.54	3.70	-42.62
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010936432	0	34	-1.0	-44.87	284.28	3.80	-41.07
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936433	0	33	-1.0	-42.28	280.59	2.35	-39.93
CC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(Br)N1C	REAL300010936434	0	34	-1.0	-48.33	295.37	2.81	-45.52
CC1=NC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(Br)N1C	REAL300010936434	1	33	-2.0	-115.90	297.11	2.66	-113.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010936435	0	32	-1.0	-41.98	274.95	1.70	-40.28
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936436	0	44	-1.0	-51.39	344.72	3.83	-47.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010936437	0	34	-2.0	-89.43	298.72	2.46	-86.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010936437	1	35	-1.0	-45.56	302.66	1.56	-44.00
CCOC(=O)CC1(S(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936438	0	40	-1.0	-47.70	313.30	3.96	-43.74
CC(C)(CC(=O)[O-])NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010936439	0	48	-1.0	-52.84	397.07	3.47	-49.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010936440	0	32	-1.0	-41.49	299.75	3.97	-37.52
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010936440	1	31	-2.0	-98.76	301.61	4.15	-94.61
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936441	0	42	-1.0	-49.72	353.24	2.25	-47.47
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010936442	0	46	-1.0	-44.31	364.69	5.71	-38.60
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936443	0	43	-1.0	-51.14	355.77	2.12	-49.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010936444	0	36	-1.0	-45.94	298.79	0.11	-45.83
COC(=O)C1(CS(=O)(=O)NC(C)(C)CC(=O)[O-])CCCC1	REAL300010936445	0	43	-1.0	-44.41	319.83	4.71	-39.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010936446	0	30	-1.0	-41.09	284.02	2.11	-38.98
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936447	0	38	-1.0	-43.97	323.90	3.14	-40.83
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300010936448	0	37	-1.0	-42.12	306.17	4.43	-37.69
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010936449	0	42	-1.0	-43.79	358.33	6.30	-37.49
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936450	0	40	-1.0	-48.78	330.07	4.45	-44.33
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010936451	0	33	-1.0	-48.55	285.09	2.40	-46.15
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010936452	0	37	-1.0	-44.70	314.80	5.06	-39.64
COC(=O)C1(CS(=O)(=O)NC(C)(C)CC(=O)[O-])CCC1	REAL300010936453	0	40	-1.0	-47.91	311.30	3.45	-44.46
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010936454	0	31	-1.0	-42.94	284.22	3.14	-39.80
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010936455	0	35	-1.0	-45.74	300.44	4.04	-41.70
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1I	REAL300010936456	0	34	-1.0	-44.08	297.45	4.55	-39.53
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936457	0	44	-1.0	-49.05	361.97	3.30	-45.75
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936458	0	47	-1.0	-48.93	383.84	4.22	-44.71
COC(=O)C1(CS(=O)(=O)NC(C)(C)CC(=O)[O-])CCCCC1	REAL300010936459	0	46	-1.0	-45.95	334.23	5.14	-40.81
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C1C	REAL300010936460	0	39	-1.0	-43.51	318.14	2.33	-41.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010936461	0	35	-1.0	-43.85	305.08	2.89	-40.96
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936462	0	40	-1.0	-43.57	345.40	5.02	-38.55
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010936463	0	32	-1.0	-45.11	278.49	3.35	-41.76
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010936464	0	47	-1.0	-52.68	385.27	4.93	-47.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010936465	0	33	-1.0	-42.32	301.92	2.81	-39.51
CC(C)(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300010936466	0	44	-1.0	-43.42	309.46	5.03	-38.39
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010936467	0	40	-1.0	-47.25	317.91	4.60	-42.65
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010936468	0	32	-1.0	-44.24	286.59	2.32	-41.92
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010936469	0	37	-1.0	-45.92	308.03	4.62	-41.30
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300010936470	0	34	-1.0	-46.15	291.78	1.77	-44.38
CN1C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300010936470	1	33	-2.0	-107.11	295.63	2.07	-105.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010936471	0	33	-1.0	-41.53	292.21	4.92	-36.61
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010936471	1	32	-2.0	-102.95	299.31	5.31	-97.64
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(F)C=C1C	REAL300010936472	0	40	-1.0	-44.18	329.87	4.29	-39.89
CC1=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2N=C1Cl	REAL300010936473	0	39	-1.0	-46.22	328.36	4.31	-41.91
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300010936474	0	40	-1.0	-46.32	300.87	4.24	-42.08
CC(C)(CC(=O)[O-])NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010936475	0	41	-1.0	-45.14	331.38	3.80	-41.34
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(C)C)=C1	REAL300010936476	0	58	-1.0	-44.25	404.37	8.45	-35.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010936477	0	36	-1.0	-47.29	308.30	4.06	-43.23
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936478	0	43	-1.0	-46.48	352.53	5.34	-41.14
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936479	0	36	-1.0	-48.67	292.77	2.62	-46.05
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936480	0	38	-1.0	-43.30	320.33	3.23	-40.07
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])CCC2=C1	REAL300010936481	0	43	-1.0	-44.93	335.49	4.61	-40.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010936482	0	39	-1.0	-44.80	313.32	3.90	-40.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010936483	0	34	-1.0	-44.74	289.15	3.66	-41.08
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010936483	1	33	-2.0	-104.35	291.81	3.64	-100.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010936484	0	34	-1.0	-45.00	302.28	5.03	-39.97
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010936484	1	33	-2.0	-110.48	306.94	5.24	-105.24
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936485	0	45	-1.0	-50.55	375.98	1.52	-49.03
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936485	1	44	-2.0	-93.92	372.53	1.56	-92.36
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010936486	0	34	-1.0	-44.91	302.87	4.41	-40.50
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010936487	0	40	-1.0	-56.05	336.61	1.29	-54.76
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C=C1	REAL300010936488	0	40	-1.0	-45.50	319.64	5.83	-39.67
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936489	0	40	-1.0	-45.33	336.93	4.80	-40.53
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010936490	0	46	-1.0	-51.15	373.71	3.46	-47.69
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936491	0	44	-1.0	-52.12	348.09	3.24	-48.88
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010936492	0	34	-1.0	-46.92	294.48	4.24	-42.68
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010936493	0	37	-1.0	-46.40	304.32	5.29	-41.11
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(CC)=C1	REAL300010936494	0	49	-1.0	-42.88	350.72	7.53	-35.35
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300010936495	0	50	-1.0	-46.84	393.25	3.59	-43.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010936496	0	38	-1.0	-47.37	307.76	2.67	-44.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010936497	0	33	-1.0	-43.36	299.99	2.83	-40.53
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936498	0	39	-1.0	-46.83	327.55	2.62	-44.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010936499	0	39	-1.0	-45.35	322.43	1.44	-43.91
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010936500	0	36	-1.0	-49.87	307.36	-2.04	-51.91
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010936501	0	42	-1.0	-53.40	325.41	0.17	-53.23
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Cl	REAL300010936502	0	35	-1.0	-42.81	297.29	2.78	-40.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010936503	0	34	-1.0	-45.60	291.03	0.59	-45.01
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936504	0	44	-1.0	-48.22	349.08	4.19	-44.03
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010936505	0	40	-1.0	-45.61	320.26	5.77	-39.84
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010936506	0	35	-1.0	-45.15	298.07	3.10	-42.05
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010936507	0	35	-1.0	-44.87	308.39	3.55	-41.32
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936508	0	40	-1.0	-49.26	334.14	4.41	-44.85
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936509	0	44	-1.0	-45.99	345.00	4.44	-41.55
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936510	0	35	-1.0	-46.08	288.63	2.71	-43.37
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010936511	0	34	-1.0	-43.26	311.92	4.89	-38.37
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010936512	0	34	-1.0	-43.33	309.39	4.81	-38.52
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010936513	0	34	-1.0	-44.11	291.36	2.02	-42.09
CCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010936514	0	39	-1.0	-44.11	314.09	4.73	-39.38
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936515	0	47	-1.0	-46.59	358.44	5.00	-41.59
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936516	0	38	-1.0	-45.60	327.28	5.30	-40.30
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010936517	0	38	-1.0	-50.49	318.10	4.92	-45.57
COC1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936518	0	34	-1.0	-42.78	294.79	0.13	-42.65
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936519	0	40	-1.0	-44.23	335.89	4.68	-39.55
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936520	0	40	-1.0	-45.18	345.61	4.58	-40.60
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010936521	0	34	-1.0	-43.88	292.59	4.27	-39.61
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Cl	REAL300010936522	0	34	-1.0	-42.39	287.57	4.02	-38.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010936523	0	37	-1.0	-52.40	300.20	3.91	-48.49
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=N1	REAL300010936524	0	40	-1.0	-46.06	338.30	4.41	-41.65
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1F	REAL300010936525	0	37	-1.0	-45.09	328.92	4.20	-40.89
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936525	1	36	-2.0	-109.57	330.77	4.37	-105.20
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936526	0	40	-1.0	-47.38	334.36	4.36	-43.02
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936527	0	38	-1.0	-43.98	303.44	3.17	-40.81
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936528	0	37	-1.0	-43.99	308.55	4.90	-39.09
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCC1CCOCC1	REAL300010936529	0	44	-1.0	-45.68	330.84	3.11	-42.57
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010936530	0	46	-1.0	-47.52	366.33	0.61	-46.91
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010936531	0	39	-1.0	-47.13	304.75	4.10	-43.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010936532	0	38	-1.0	-50.88	317.18	0.77	-50.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010936533	0	31	-1.0	-43.25	273.64	3.45	-39.80
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])SC(Br)=C1	REAL300010936534	0	31	-1.0	-42.25	281.15	3.34	-38.91
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010936535	0	40	-1.0	-47.12	315.42	3.34	-43.78
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936536	0	41	-1.0	-46.68	326.89	1.98	-44.70
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010936537	0	37	-1.0	-45.53	303.83	4.63	-40.90
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300010936538	0	37	-1.0	-45.63	304.17	4.64	-40.99
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010936539	0	37	-1.0	-44.83	311.27	4.98	-39.85
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936540	0	35	-1.0	-43.40	309.06	3.40	-40.00
COC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-])C(=O)NCCC2	REAL300010936541	0	46	-1.0	-52.87	358.19	1.81	-51.06
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S2)C1	REAL300010936542	0	42	-1.0	-49.23	342.14	3.52	-45.71
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010936543	0	38	-1.0	-45.50	326.68	5.45	-40.05
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1CCOC1	REAL300010936544	0	42	-1.0	-46.88	317.83	0.90	-45.98
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010936545	0	34	-1.0	-43.68	299.08	4.37	-39.31
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010936546	0	35	-1.0	-43.63	310.02	0.49	-43.14
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010936546	1	34	-2.0	-101.14	311.88	0.65	-100.49
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010936547	0	34	-1.0	-43.90	295.75	4.26	-39.64
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010936548	0	31	-1.0	-41.09	290.13	4.03	-37.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936549	0	38	-1.0	-53.70	308.04	0.38	-53.32
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936550	0	56	-1.0	-43.26	432.10	7.85	-35.41
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936551	0	46	-1.0	-50.02	361.60	5.26	-44.76
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936552	0	41	-1.0	-44.91	346.55	5.11	-39.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010936553	0	31	-1.0	-43.01	278.06	3.55	-39.46
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936554	0	37	-1.0	-47.81	310.36	3.58	-44.23
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010936555	0	45	-1.0	-45.35	359.97	5.98	-39.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010936556	0	45	-1.0	-47.59	369.23	6.27	-41.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1Br	REAL300010936557	0	30	-1.0	-46.55	264.83	2.31	-44.24
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010936557	1	29	-2.0	-113.08	268.16	1.98	-111.10
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2)=N1	REAL300010936558	0	43	-1.0	-48.67	347.53	2.95	-45.72
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300010936559	0	41	-1.0	-44.43	333.31	4.40	-40.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010936560	0	43	-1.0	-47.59	336.28	4.37	-43.22
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])N(C)N=C1	REAL300010936561	0	37	-1.0	-44.59	301.57	2.21	-42.38
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300010936562	0	39	-1.0	-44.86	332.88	1.73	-43.13
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C12	REAL300010936563	0	43	-1.0	-46.86	343.86	5.84	-41.02
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936564	0	42	-1.0	-46.24	336.69	2.01	-44.23
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1F	REAL300010936565	0	37	-1.0	-45.22	318.60	3.77	-41.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936565	1	36	-2.0	-109.03	320.44	3.93	-105.10
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(Cl)C=C21	REAL300010936566	0	42	-1.0	-51.84	345.14	4.61	-47.23
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936567	0	44	-1.0	-44.79	343.16	4.61	-40.18
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1CCCC1	REAL300010936568	0	44	-1.0	-43.80	328.28	3.32	-40.48
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1CCCCC1	REAL300010936569	0	47	-1.0	-44.06	343.37	4.29	-39.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010936570	0	34	-1.0	-43.46	291.36	2.46	-41.00
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300010936571	0	50	-1.0	-43.42	383.21	5.97	-37.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010936572	0	34	-1.0	-53.59	301.89	2.72	-50.87
COC1=CC(F)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936573	0	35	-1.0	-43.86	288.29	2.85	-41.01
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010936574	0	39	-1.0	-44.59	316.92	5.33	-39.26
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936575	0	38	-1.0	-42.86	294.54	2.93	-39.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010936576	0	44	-1.0	-43.96	354.04	5.24	-38.72
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])O1	REAL300010936577	0	37	-1.0	-49.99	310.77	2.57	-47.42
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])O1	REAL300010936577	1	36	-2.0	-102.68	313.08	2.55	-100.13
CCC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1CC1CC1	REAL300010936578	0	44	-1.0	-50.14	346.90	5.17	-44.97
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936579	0	37	-1.0	-46.46	318.22	5.05	-41.41
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C1	REAL300010936580	0	42	-1.0	-52.19	335.18	3.39	-48.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936581	0	34	-1.0	-44.58	295.11	1.50	-43.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010936582	0	42	-1.0	-44.25	352.37	7.06	-37.19
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936583	0	34	-1.0	-42.56	295.13	4.36	-38.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010936584	0	41	-1.0	-47.98	319.36	6.41	-41.57
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010936585	0	51	-1.0	-45.46	407.25	7.84	-37.62
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936586	0	37	-1.0	-44.94	315.36	5.05	-39.89
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936587	0	38	-1.0	-46.94	320.23	3.71	-43.23
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010936588	0	37	-1.0	-46.04	307.99	4.58	-41.46
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1F	REAL300010936589	0	34	-1.0	-44.95	285.89	3.76	-41.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010936590	0	30	-1.0	-43.07	275.72	1.69	-41.38
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010936590	1	29	-2.0	-103.13	277.61	1.85	-101.28
CC(C)OC1=CN=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936591	0	40	-1.0	-43.45	314.61	1.80	-41.65
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010936592	0	37	-1.0	-50.34	314.46	1.36	-48.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010936593	0	38	-1.0	-48.62	327.25	2.22	-46.40
COC(=O)C1=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])OC=C1	REAL300010936594	0	33	-2.0	-114.99	289.02	2.52	-112.47
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])OC=C1	REAL300010936594	1	34	-1.0	-49.38	286.49	2.39	-46.99
CCC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C)C=C1OC	REAL300010936595	0	44	-1.0	-44.78	339.65	4.54	-40.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010936596	0	37	-1.0	-42.15	323.32	4.80	-37.35
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936597	0	39	-1.0	-47.08	320.45	3.89	-43.19
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=N1	REAL300010936598	0	32	-2.0	-119.17	282.73	2.13	-117.04
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=N1	REAL300010936598	1	33	-1.0	-53.66	281.59	2.17	-51.49
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936599	0	34	-1.0	-42.32	304.64	4.82	-37.50
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010936600	0	40	-1.0	-46.53	306.12	6.05	-40.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010936601	0	38	-1.0	-43.29	323.05	2.84	-40.45
CC1=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2NC1=O	REAL300010936602	0	40	-1.0	-46.67	322.94	2.65	-44.02
CN1N=NC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936603	0	36	-1.0	-47.07	296.22	1.37	-45.70
CC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010936604	0	40	-1.0	-48.40	334.26	5.23	-43.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010936605	0	31	-1.0	-45.20	269.72	0.40	-44.80
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010936605	1	30	-2.0	-103.81	271.31	0.70	-103.11
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010936606	0	36	-1.0	-41.83	306.01	4.40	-37.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010936607	0	37	-1.0	-45.35	306.77	4.19	-41.16
C[NH+]1CCN(CCCS(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936608	0	48	0.0	-67.92	353.90	2.25	-65.67
CN1CCN(CCCS(=O)(=O)NC(C)(C)CC(=O)[O-])CC1	REAL300010936608	1	47	-1.0	-45.35	349.90	-0.23	-45.58
CN1N=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1Br	REAL300010936609	0	31	-1.0	-43.68	277.61	1.07	-42.61
CN1N=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1I	REAL300010936610	0	31	-1.0	-43.30	283.11	1.51	-41.79
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936611	0	35	-1.0	-47.86	287.47	4.24	-43.62
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936612	0	40	-1.0	-43.88	320.84	1.36	-42.52
CCCCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=N1	REAL300010936613	0	43	-1.0	-45.09	340.98	3.62	-41.47
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(OC)C=C1F	REAL300010936614	0	41	-1.0	-46.71	341.28	3.42	-43.29
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936615	0	41	-1.0	-49.37	325.83	3.67	-45.70
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936616	0	35	-1.0	-44.47	286.50	3.01	-41.46
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300010936617	0	47	-1.0	-43.71	361.71	5.17	-38.54
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936618	0	43	-1.0	-42.34	329.97	5.18	-37.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010936619	0	32	-1.0	-43.11	279.29	3.39	-39.72
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010936620	0	34	-1.0	-43.55	297.04	4.35	-39.20
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010936621	0	50	-1.0	-44.54	377.71	7.56	-36.98
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936622	0	36	-1.0	-48.39	315.74	2.79	-45.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)NC=N1	REAL300010936623	0	28	-1.0	-47.21	253.26	1.34	-45.87
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010936623	1	27	-2.0	-112.59	256.10	1.14	-111.45
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010936624	0	39	-1.0	-50.33	320.71	3.88	-46.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010936625	0	30	-1.0	-41.17	278.15	2.22	-38.95
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010936625	1	29	-2.0	-100.12	280.68	2.38	-97.74
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010936626	0	30	-1.0	-43.18	271.13	1.62	-41.56
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010936626	1	29	-2.0	-102.99	273.01	1.77	-101.22
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936627	0	34	-1.0	-43.12	301.07	0.73	-42.39
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010936628	0	36	-1.0	-45.08	305.42	3.67	-41.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010936629	0	33	-1.0	-43.64	292.09	2.79	-40.85
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010936630	0	41	-1.0	-47.28	339.69	4.64	-42.64
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010936631	0	34	-1.0	-42.69	293.75	3.86	-38.83
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010936632	0	30	-1.0	-46.59	280.41	1.42	-45.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010936633	0	33	-1.0	-45.60	305.17	2.90	-42.70
CCS(=O)(CC)=NS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936634	0	37	-1.0	-60.35	300.96	0.93	-59.42
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010936635	0	33	-1.0	-45.59	286.82	4.23	-41.36
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010936636	0	39	-1.0	-47.54	304.20	2.35	-45.19
CCOC(=O)C1(S(=O)(=O)NC(C)(C)CC(=O)[O-])CCC1	REAL300010936637	0	40	-1.0	-44.86	302.04	3.52	-41.34
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010936638	0	42	-1.0	-51.76	336.70	-0.34	-52.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010936639	0	32	-1.0	-42.38	296.09	1.93	-40.45
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936640	0	40	-1.0	-46.72	330.67	4.41	-42.31
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010936641	0	33	-2.0	-109.42	303.22	4.32	-105.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010936641	1	34	-1.0	-44.95	301.65	4.23	-40.72
CN1N=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C(F)(F)F	REAL300010936642	0	34	-1.0	-43.27	288.29	1.55	-41.72
CN1N=CC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1C(F)(F)F	REAL300010936642	1	33	-2.0	-102.49	288.80	1.81	-100.68
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936643	0	41	-1.0	-43.79	310.84	3.30	-40.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010936644	0	28	-1.0	-42.50	262.99	2.62	-39.88
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(C)(C)C)=N1	REAL300010936645	0	43	-1.0	-45.65	322.74	3.21	-42.44
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010936646	0	41	-1.0	-45.90	318.43	3.14	-42.76
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936647	0	34	-1.0	-40.70	282.02	1.87	-38.83
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(Br)=N1	REAL300010936648	0	31	-1.0	-45.56	279.18	1.15	-44.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010936649	0	33	-1.0	-43.67	287.86	2.46	-41.21
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936650	0	38	-1.0	-47.25	311.68	3.27	-43.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010936651	0	45	-1.0	-46.59	354.88	4.02	-42.57
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936652	0	41	-1.0	-43.63	329.31	5.69	-37.94
COC(=O)C1=CNN=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936653	0	34	-1.0	-53.84	285.21	0.70	-53.14
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936653	1	33	-2.0	-120.79	286.63	0.81	-119.98
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936654	0	34	-1.0	-42.18	304.64	4.82	-37.36
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936655	0	36	-1.0	-51.38	296.07	3.36	-48.02
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936656	0	40	-1.0	-56.70	319.67	1.38	-55.32
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300010936657	0	53	-1.0	-43.48	405.05	6.77	-36.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010936658	0	34	-1.0	-43.37	288.42	3.82	-39.55
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010936659	0	42	-1.0	-47.76	341.92	3.70	-44.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010936660	0	35	-1.0	-46.56	302.61	4.79	-41.77
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300010936661	0	53	-1.0	-43.32	395.77	6.63	-36.69
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1CC	REAL300010936662	0	47	-1.0	-43.43	365.59	5.41	-38.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010936663	0	38	-1.0	-48.90	315.85	4.87	-44.03
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936664	0	37	-1.0	-41.38	296.03	4.96	-36.42
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936665	0	45	-1.0	-56.98	353.54	2.58	-54.40
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010936666	0	34	-1.0	-45.03	308.76	4.83	-40.20
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010936667	0	34	-1.0	-45.61	299.64	4.42	-41.19
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010936668	0	41	-1.0	-49.76	334.21	4.95	-44.81
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936669	0	37	-1.0	-43.51	312.82	4.95	-38.56
CC1=CN=C(Cl)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936670	0	33	-1.0	-44.01	282.68	2.32	-41.69
COC1=CC=C(Br)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1F	REAL300010936671	0	35	-1.0	-48.47	302.10	3.15	-45.32
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1F	REAL300010936671	1	34	-2.0	-114.01	304.60	3.42	-110.59
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936672	0	41	-1.0	-45.13	327.92	5.34	-39.79
CCOC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])N(C)N=C1	REAL300010936673	0	40	-1.0	-44.25	322.17	3.15	-41.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010936674	0	35	-1.0	-45.84	300.27	4.74	-41.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010936675	0	36	-1.0	-48.49	291.02	-0.13	-48.62
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C(C(N)=O)O1	REAL300010936676	0	35	-1.0	-49.18	292.57	-1.44	-50.62
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010936677	0	43	-1.0	-51.64	356.93	4.52	-47.12
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936678	0	44	-1.0	-47.23	353.87	3.72	-43.51
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010936679	0	40	-1.0	-48.58	314.19	3.75	-44.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300010936680	0	31	-1.0	-43.02	267.82	3.22	-39.80
COC(=O)C1=CC=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936681	0	36	-1.0	-48.29	303.09	2.24	-46.05
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010936682	0	37	-1.0	-45.36	303.83	4.63	-40.73
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936683	0	47	-1.0	-47.45	368.88	5.63	-41.82
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010936684	0	36	-1.0	-47.87	288.99	3.49	-44.38
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936685	0	51	-1.0	-53.82	377.54	5.26	-48.56
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936686	0	38	-1.0	-50.38	312.15	2.93	-47.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010936687	0	45	-1.0	-45.66	347.26	3.00	-42.66
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010936688	0	46	-1.0	-54.87	362.43	5.57	-49.30
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936689	0	45	-1.0	-54.92	352.57	4.85	-50.07
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010936690	0	38	-2.0	-93.37	297.13	3.05	-90.32
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)C=C1	REAL300010936691	0	46	-1.0	-44.33	380.65	6.78	-37.55
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010936692	0	38	-1.0	-46.45	300.99	2.47	-43.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010936693	0	38	-1.0	-44.07	299.51	2.66	-41.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010936694	0	41	-1.0	-43.55	316.49	3.43	-40.12
COC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010936695	0	43	-1.0	-45.87	343.47	5.84	-40.03
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936696	0	44	-1.0	-50.69	358.79	4.26	-46.43
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936697	0	41	-1.0	-47.76	326.30	3.74	-44.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010936698	0	42	-1.0	-47.61	329.08	0.95	-46.66
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010936699	0	37	-1.0	-44.97	317.79	3.91	-41.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010936700	0	37	-1.0	-46.56	302.80	0.17	-46.39
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010936701	0	27	-2.0	-105.36	257.40	1.86	-103.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300010936701	1	28	-1.0	-43.64	254.76	1.84	-41.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300010936702	0	38	-1.0	-46.92	294.42	2.86	-44.06
COC1=C(F)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936703	0	35	-1.0	-41.95	297.96	2.49	-39.46
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300010936704	0	35	-1.0	-43.94	294.96	2.45	-41.49
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300010936705	0	56	-1.0	-43.30	426.21	7.53	-35.77
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936706	0	47	-1.0	-44.97	355.18	5.02	-39.95
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936707	0	41	-1.0	-45.92	328.03	4.35	-41.57
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300010936708	0	54	-1.0	-46.09	417.19	5.39	-40.70
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2O1	REAL300010936709	0	39	-1.0	-47.54	309.92	3.54	-44.00
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936710	0	39	-1.0	-42.99	319.57	2.50	-40.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010936711	0	39	-1.0	-47.89	320.35	5.13	-42.76
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936712	0	35	-1.0	-45.31	288.74	3.46	-41.85
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936712	1	34	-2.0	-109.85	295.62	3.80	-106.05
CC1=C(Br)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C)S1	REAL300010936713	0	34	-1.0	-44.12	295.80	4.23	-39.89
CC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(Br)=C1	REAL300010936714	0	34	-1.0	-44.45	300.09	4.94	-39.51
COC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=N1	REAL300010936715	0	36	-1.0	-45.34	302.98	1.76	-43.58
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1Br	REAL300010936716	0	37	-1.0	-47.00	319.04	4.21	-42.79
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936717	0	48	-1.0	-54.65	359.68	4.95	-49.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010936718	0	37	-1.0	-46.65	306.81	3.59	-43.06
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300010936719	0	45	-1.0	-54.15	351.13	4.53	-49.62
CN1N=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936720	0	31	-1.0	-43.87	275.45	1.03	-42.84
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010936721	0	33	-1.0	-42.36	285.67	2.11	-40.25
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936722	0	36	-1.0	-53.90	292.36	2.40	-51.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010936723	0	35	-1.0	-45.59	308.95	3.51	-42.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010936724	0	34	-1.0	-54.05	297.33	2.61	-51.44
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010936725	0	34	-1.0	-46.50	289.55	4.41	-42.09
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936726	0	38	-1.0	-43.31	302.38	2.65	-40.66
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1F	REAL300010936727	0	40	-1.0	-42.57	304.88	5.27	-37.30
COC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1OC	REAL300010936728	0	39	-1.0	-46.42	309.52	2.82	-43.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010936729	0	40	-1.0	-50.81	319.38	0.11	-50.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010936730	0	32	-1.0	-42.41	292.28	3.82	-38.59
COC1=CC=C(F)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1OC	REAL300010936731	0	39	-1.0	-47.83	309.39	3.11	-44.72
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1	REAL300010936732	0	33	-2.0	-98.74	314.27	2.55	-96.19
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936732	1	34	-1.0	-47.76	311.88	2.56	-45.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010936733	0	28	-1.0	-42.61	271.80	3.13	-39.48
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2CCCC2)=N1	REAL300010936734	0	44	-1.0	-45.80	342.14	3.76	-42.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010936735	0	35	-1.0	-44.53	301.67	4.81	-39.72
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2CC2)=N1	REAL300010936736	0	38	-1.0	-46.34	310.67	2.78	-43.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010936737	0	33	-2.0	-97.57	287.75	3.60	-93.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010936738	0	35	-1.0	-46.59	291.34	2.53	-44.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010936739	0	35	-1.0	-47.30	309.11	3.52	-43.78
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010936740	0	34	-1.0	-46.50	281.53	2.13	-44.37
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010936740	1	33	-2.0	-114.95	285.07	2.36	-112.59
CN1N=NC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C21	REAL300010936741	0	36	-1.0	-53.21	298.22	1.42	-51.79
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010936742	0	31	-2.0	-88.14	292.73	2.51	-85.63
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300010936743	0	37	-1.0	-44.18	308.75	5.02	-39.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010936744	0	37	-1.0	-42.01	321.18	4.04	-37.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010936745	0	34	-1.0	-45.44	287.10	3.33	-42.11
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2CCC2)=N1	REAL300010936746	0	41	-1.0	-45.85	326.00	3.27	-42.58
CC(C)(CC(=O)[O-])NS(=O)(=O)NCCC1=CC=CC=C1	REAL300010936747	0	39	-1.0	-44.03	314.49	3.66	-40.37
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936748	0	49	-1.0	-44.49	365.94	6.90	-37.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010936749	0	37	-1.0	-42.80	324.33	4.88	-37.92
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010936750	0	41	-1.0	-44.76	324.60	3.49	-41.27
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010936751	0	35	-1.0	-45.06	287.63	4.10	-40.96
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010936752	0	42	-1.0	-45.49	351.37	5.69	-39.80
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010936753	0	44	-1.0	-50.02	341.89	1.31	-48.71
COC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010936754	0	40	-1.0	-55.98	318.36	4.03	-51.95
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936755	0	37	-1.0	-50.33	309.77	1.24	-49.09
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010936756	0	32	-1.0	-45.22	277.47	3.32	-41.90
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936757	0	38	-1.0	-44.68	295.98	2.28	-42.40
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010936758	0	35	-1.0	-42.35	308.55	4.27	-38.08
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C=C1	REAL300010936759	0	43	-1.0	-47.10	353.03	5.81	-41.29
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010936760	0	40	-1.0	-46.01	342.14	5.60	-40.41
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936761	0	40	-1.0	-43.85	298.46	2.59	-41.26
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936762	0	40	-1.0	-44.44	315.20	2.56	-41.88
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010936763	0	38	-1.0	-44.87	303.12	1.95	-42.92
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300010936764	0	36	-1.0	-42.34	303.06	2.73	-39.61
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010936765	0	34	-1.0	-41.33	297.25	3.99	-37.34
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010936766	0	31	-1.0	-42.78	273.77	3.42	-39.36
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010936767	0	31	-1.0	-41.09	282.88	3.07	-38.02
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)CC1	REAL300010936768	0	36	-1.0	-43.07	276.12	2.31	-40.76
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936769	0	41	-1.0	-48.62	334.30	1.93	-46.69
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010936770	0	28	-1.0	-43.76	257.35	1.91	-41.85
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010936770	1	27	-2.0	-101.68	260.02	1.90	-99.78
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010936771	0	34	-1.0	-42.78	304.00	4.34	-38.44
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010936772	0	34	-1.0	-48.57	273.32	4.47	-44.10
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936773	0	42	-1.0	-49.13	337.68	5.05	-44.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010936774	0	42	-1.0	-44.89	320.00	5.94	-38.95
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010936775	0	41	-1.0	-53.48	332.01	4.62	-48.86
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010936776	0	37	-1.0	-43.98	315.19	3.92	-40.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010936777	0	36	-1.0	-46.75	312.43	3.46	-43.29
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010936778	0	38	-1.0	-49.33	306.39	1.46	-47.87
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936779	0	41	-1.0	-43.65	348.30	3.68	-39.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010936780	0	31	-1.0	-42.35	287.34	4.17	-38.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010936781	0	31	-1.0	-43.50	271.75	3.37	-40.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010936782	0	34	-1.0	-43.11	284.44	4.56	-38.55
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936783	0	37	-1.0	-43.24	316.94	3.17	-40.07
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010936784	0	38	-1.0	-44.04	308.48	5.19	-38.85
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010936785	0	33	-1.0	-41.95	305.04	3.06	-38.89
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010936786	0	41	-1.0	-44.02	317.01	3.38	-40.64
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936787	0	40	-1.0	-42.80	311.29	2.69	-40.11
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936788	0	40	-1.0	-53.37	322.91	0.43	-52.94
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010936789	0	34	-1.0	-51.67	305.59	-0.56	-52.23
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936790	0	40	-1.0	-53.37	322.91	0.43	-52.94
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010936791	0	34	-1.0	-45.18	276.76	4.46	-40.72
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936792	0	43	-1.0	-50.02	342.49	6.71	-43.31
CN(C1CCCCCC1)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936793	0	45	-1.0	-43.86	316.18	3.96	-39.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010936794	0	31	-1.0	-49.12	277.21	2.43	-46.69
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010936794	1	30	-2.0	-99.91	279.49	2.40	-97.51
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936795	0	35	-1.0	-43.86	294.76	2.84	-41.02
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2CCOCC2)=N1	REAL300010936796	0	45	-1.0	-45.86	351.70	2.00	-43.86
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010936797	0	37	-1.0	-44.55	306.33	4.53	-40.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010936798	0	35	-1.0	-45.51	292.36	2.58	-42.93
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010936799	0	46	-1.0	-43.50	347.15	6.02	-37.48
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010936800	0	42	-1.0	-52.73	322.38	5.47	-47.26
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010936801	0	39	-1.0	-45.44	301.31	3.04	-42.40
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936802	0	41	-1.0	-44.98	330.04	3.70	-41.28
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936803	0	40	-1.0	-47.58	332.09	5.19	-42.39
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010936804	0	34	-1.0	-44.87	310.04	4.99	-39.88
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936805	0	41	-1.0	-47.88	333.17	4.09	-43.79
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010936806	0	44	-1.0	-45.74	337.42	3.73	-42.01
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010936807	0	34	-1.0	-44.78	305.88	5.16	-39.62
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010936807	1	33	-2.0	-109.52	310.41	5.37	-104.15
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010936808	0	42	-1.0	-44.70	342.06	5.82	-38.88
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936809	0	43	-1.0	-48.68	341.43	5.67	-43.01
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(C)=C1Br	REAL300010936810	0	37	-1.0	-42.53	309.62	4.68	-37.85
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010936811	0	36	-1.0	-45.67	314.24	4.40	-41.27
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010936811	1	35	-2.0	-109.22	318.41	4.71	-104.51
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010936812	0	30	-1.0	-46.92	276.17	1.32	-45.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010936813	0	32	-1.0	-47.05	279.60	3.41	-43.64
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010936814	0	35	-1.0	-45.26	291.05	2.52	-42.74
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010936815	0	37	-1.0	-43.47	327.62	4.22	-39.25
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010936815	1	36	-2.0	-104.76	332.89	4.51	-100.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010936816	0	30	-1.0	-41.33	270.36	1.57	-39.76
CC(C)(CC(=O)[O-])NS(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010936817	0	43	-1.0	-45.94	336.19	0.76	-45.18
CCN1N=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1Cl	REAL300010936818	0	34	-1.0	-43.70	295.83	1.84	-41.86
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010936819	0	35	-1.0	-45.73	304.28	4.83	-40.90
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2	REAL300010936820	0	37	-1.0	-44.30	335.80	4.07	-40.23
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010936821	0	30	-2.0	-106.38	285.45	4.08	-102.30
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936822	0	33	-1.0	-43.28	294.76	2.29	-40.99
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936822	1	32	-2.0	-101.38	296.65	2.45	-98.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010936823	0	36	-1.0	-49.99	308.16	4.04	-45.95
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010936824	0	36	-1.0	-48.41	305.55	3.94	-44.47
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936825	0	33	-1.0	-43.28	294.76	2.29	-40.99
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010936825	1	32	-2.0	-101.38	296.65	2.45	-98.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010936826	0	34	-1.0	-44.87	310.04	4.99	-39.88
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300010936827	0	40	-1.0	-46.94	311.58	5.82	-41.12
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936828	0	35	-1.0	-49.15	302.10	3.80	-45.35
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936828	1	34	-2.0	-115.14	307.50	4.15	-110.99
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010936829	0	38	-1.0	-46.32	309.70	3.29	-43.03
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300010936830	0	45	-1.0	-45.14	356.32	4.43	-40.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010936831	0	31	-1.0	-42.15	281.31	3.63	-38.52
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010936831	1	30	-2.0	-102.18	283.18	3.78	-98.40
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])O1	REAL300010936832	0	37	-1.0	-56.46	316.88	-0.51	-56.97
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010936833	0	41	-1.0	-48.32	329.78	4.45	-43.87
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010936834	0	37	-1.0	-46.19	324.37	0.80	-45.39
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010936835	0	35	-1.0	-47.68	292.29	4.34	-43.34
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010936836	0	35	-1.0	-46.47	307.17	4.88	-41.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010936837	0	35	-1.0	-47.18	307.16	4.90	-42.28
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300010936838	0	36	-1.0	-51.98	295.36	-2.99	-54.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010936839	0	33	-1.0	-45.70	283.32	2.30	-43.40
CC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010936840	0	40	-1.0	-49.91	325.90	2.85	-47.06
CC1=NC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010936840	1	39	-2.0	-119.66	331.69	2.17	-117.49
CC(C)(CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010936841	0	48	-1.0	-44.28	329.34	5.94	-38.34
CC(C)(CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010936842	0	39	-1.0	-44.65	291.83	3.52	-41.13
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300010936843	0	39	-1.0	-55.68	323.39	-0.13	-55.81
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300010936844	0	44	-1.0	-44.68	325.77	3.66	-41.02
CCOC(=O)C1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2C=CC=CN12	REAL300010936845	0	43	-1.0	-53.41	355.93	5.07	-48.34
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010936846	0	35	-1.0	-48.74	301.33	2.15	-46.59
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2C=C1	REAL300010936847	0	40	-1.0	-51.81	335.75	5.32	-46.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010936848	0	41	-1.0	-46.07	334.94	5.96	-40.11
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010936849	0	40	-1.0	-46.99	306.75	0.84	-46.15
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936850	0	40	-1.0	-49.76	325.11	3.93	-45.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010936851	0	44	-1.0	-44.02	319.54	5.05	-38.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010936852	0	35	-1.0	-44.26	294.58	4.16	-40.10
COC(=O)C1CCCCN1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936853	0	42	-1.0	-45.98	316.85	4.17	-41.81
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010936854	0	53	-1.0	-43.92	381.25	7.08	-36.84
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010936855	0	34	-1.0	-45.89	297.51	3.75	-42.14
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936856	0	42	-1.0	-44.68	331.40	4.12	-40.56
CC1=CC=CC(CNS(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936857	0	39	-1.0	-43.67	314.40	3.55	-40.12
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=NN1	REAL300010936858	0	37	-1.0	-45.32	313.09	0.98	-44.34
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936858	1	36	-2.0	-92.20	309.48	0.85	-91.35
CCOC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=N[N-]1	REAL300010936858	1	36	-2.0	-92.15	309.67	0.84	-91.31
COC1=CSC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1OC	REAL300010936859	0	36	-1.0	-46.21	303.58	0.86	-45.35
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])=C1	REAL300010936860	0	33	-2.0	-98.23	310.20	2.46	-95.77
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936860	1	34	-1.0	-47.93	307.80	2.46	-45.47
CC(C)(CC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010936861	0	43	-1.0	-43.51	307.80	3.61	-39.90
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936862	0	42	-1.0	-44.36	330.62	5.34	-39.02
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936863	0	35	-1.0	-44.74	300.83	3.97	-40.77
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936863	1	34	-2.0	-109.15	309.77	4.39	-104.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010936864	0	35	-1.0	-45.37	302.64	3.81	-41.56
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936865	0	35	-1.0	-45.80	288.38	2.47	-43.33
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])C(F)=C1	REAL300010936865	1	34	-2.0	-111.11	293.63	2.75	-108.36
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010936866	0	35	-1.0	-45.02	297.25	2.56	-42.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936867	0	37	-1.0	-45.78	294.44	2.65	-43.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010936868	0	34	-1.0	-45.08	282.63	4.52	-40.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010936869	0	40	-1.0	-45.65	330.99	3.41	-42.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010936870	0	28	-1.0	-39.85	275.82	2.93	-36.92
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010936870	1	27	-2.0	-96.86	280.72	3.28	-93.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936871	0	44	-1.0	-47.58	342.95	5.21	-42.37
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010936872	0	48	-1.0	-45.24	369.51	4.79	-40.45
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010936873	0	34	-1.0	-42.01	305.99	4.52	-37.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010936874	0	36	-1.0	-45.12	305.10	3.60	-41.52
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936875	0	39	-1.0	-49.53	305.00	2.90	-46.63
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(I)C=CS1	REAL300010936876	0	28	-1.0	-42.56	266.88	2.89	-39.67
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010936876	1	27	-2.0	-104.29	274.14	3.23	-101.06
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010936877	0	42	-1.0	-45.35	341.87	5.82	-39.53
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010936878	0	37	-1.0	-48.89	290.23	4.98	-43.91
COC(=O)C1=CNN=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936879	0	34	-1.0	-53.84	285.21	0.70	-53.14
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936879	1	33	-2.0	-120.79	286.63	0.81	-119.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010936880	0	36	-1.0	-45.40	306.61	1.49	-43.91
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010936881	0	32	-1.0	-45.39	295.19	1.81	-43.58
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936882	0	33	-1.0	-43.31	280.50	2.27	-41.04
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936883	0	42	-1.0	-45.24	336.78	4.63	-40.61
CCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C2CC2)=N1	REAL300010936884	0	41	-1.0	-46.26	332.21	3.64	-42.62
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300010936885	0	35	-1.0	-50.79	290.01	2.38	-48.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010936886	0	37	-1.0	-44.03	314.99	5.68	-38.35
CC(=O)OC1CCN(S(=O)(=O)NC(C)(C)CC(=O)[O-])C1	REAL300010936887	0	39	-1.0	-46.49	310.71	2.38	-44.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010936888	0	41	-1.0	-44.05	342.98	6.86	-37.19
COC(=O)C1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C(Cl)S1	REAL300010936889	0	34	-1.0	-44.43	309.71	4.03	-40.40
CCC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300010936890	0	37	-1.0	-42.05	310.09	4.76	-37.29
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936891	0	44	-1.0	-43.17	339.56	4.14	-39.03
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936892	0	45	-1.0	-46.92	358.80	3.16	-43.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010936893	0	37	-1.0	-45.22	312.01	5.86	-39.36
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936894	0	39	-1.0	-44.17	301.92	0.93	-43.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010936895	0	37	-1.0	-45.39	316.91	2.76	-42.63
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936896	0	45	-1.0	-51.05	355.42	3.48	-47.57
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010936897	0	46	-1.0	-44.66	353.83	3.25	-41.41
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936898	0	34	-1.0	-43.23	296.50	0.63	-42.60
COC1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936899	0	37	-1.0	-43.45	299.45	0.32	-43.13
CC(C)CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300010936900	0	40	-1.0	-46.48	313.99	2.93	-43.55
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936901	0	40	-1.0	-45.28	318.95	2.59	-42.69
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010936902	0	30	-1.0	-40.08	277.32	0.91	-39.17
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010936903	0	41	-1.0	-44.25	307.71	0.82	-43.43
COCC1=CC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=NO1	REAL300010936904	0	37	-1.0	-47.57	306.50	0.94	-46.63
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010936905	0	34	-1.0	-53.59	301.89	2.72	-50.87
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010936906	0	28	-2.0	-106.58	268.65	0.98	-105.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010936906	1	29	-1.0	-44.20	266.30	1.02	-43.18
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936907	0	35	-1.0	-53.68	300.05	0.97	-52.71
CC1=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C)S1	REAL300010936908	0	37	-1.0	-42.30	291.13	4.20	-38.10
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010936909	0	28	-1.0	-42.61	271.80	3.13	-39.48
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936910	0	35	-1.0	-45.47	303.53	3.26	-42.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010936911	0	33	-1.0	-44.40	287.90	2.51	-41.89
COC1=NC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1Cl	REAL300010936912	0	34	-1.0	-43.67	293.82	0.32	-43.35
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936913	0	40	-1.0	-49.73	334.00	1.97	-47.76
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300010936913	1	39	-2.0	-92.27	330.70	0.84	-91.43
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936914	0	38	-1.0	-52.47	315.44	0.76	-51.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010936915	0	35	-1.0	-43.92	316.98	5.26	-38.66
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010936916	0	36	-1.0	-44.61	305.49	5.14	-39.47
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010936917	0	29	-2.0	-111.23	277.49	1.94	-109.29
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010936917	1	30	-1.0	-43.92	274.48	2.23	-41.69
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])N=C1	REAL300010936918	0	42	-1.0	-45.62	325.52	3.79	-41.83
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CN=C12	REAL300010936919	0	39	-1.0	-46.33	308.60	4.22	-42.11
COC(=O)C1=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300010936920	0	39	-1.0	-43.62	317.66	2.26	-41.36
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010936921	0	34	-1.0	-47.91	290.39	4.71	-43.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010936922	0	38	-1.0	-43.03	303.93	2.92	-40.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010936923	0	38	-1.0	-46.22	303.37	4.06	-42.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010936924	0	33	-1.0	-46.73	281.31	2.33	-44.40
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=NN1C(C)C	REAL300010936925	0	40	-1.0	-47.02	315.35	2.61	-44.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010936926	0	38	-1.0	-43.75	310.51	5.04	-38.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010936927	0	33	-1.0	-44.95	278.87	1.94	-43.01
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=C1NCCC2	REAL300010936928	0	43	-1.0	-44.94	323.57	3.91	-41.03
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300010936929	0	45	-1.0	-44.53	362.41	6.52	-38.01
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010936930	0	38	-1.0	-45.27	313.62	5.15	-40.12
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010936931	0	28	-1.0	-42.50	262.99	2.62	-39.88
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010936932	0	35	-1.0	-45.57	304.39	3.41	-42.16
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936933	0	33	-1.0	-43.29	285.10	2.34	-40.95
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010936934	0	36	-1.0	-49.79	289.62	3.95	-45.84
CC1=CC=C(I)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936935	0	34	-1.0	-43.42	295.91	4.82	-38.60
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936936	0	40	-1.0	-48.44	319.55	4.75	-43.69
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010936937	0	42	-1.0	-45.63	335.96	7.04	-38.59
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010936938	0	34	-1.0	-46.04	291.49	3.91	-42.13
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010936939	0	30	-1.0	-41.73	267.85	1.72	-40.01
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010936940	0	33	-1.0	-47.64	274.52	2.95	-44.69
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010936940	1	32	-2.0	-115.04	280.91	2.47	-112.57
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300010936941	0	34	-1.0	-42.09	283.42	3.12	-38.97
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936942	0	39	-1.0	-53.41	304.06	-1.15	-54.56
CC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300010936943	0	33	-1.0	-45.27	288.21	2.72	-42.55
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010936944	0	29	-2.0	-103.85	283.68	2.59	-101.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010936944	1	30	-1.0	-42.29	281.57	2.81	-39.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010936945	0	35	-1.0	-54.26	300.78	2.45	-51.81
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010936946	0	35	-1.0	-47.68	292.29	4.34	-43.34
CC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010936947	0	35	-1.0	-47.22	302.60	4.79	-42.43
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010936948	0	40	-1.0	-50.50	333.22	2.58	-47.92
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010936949	0	38	-1.0	-46.57	307.10	5.28	-41.29
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(Cl)=C1Cl	REAL300010936950	0	34	-1.0	-43.33	299.81	4.56	-38.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010936951	0	35	-1.0	-41.42	305.25	2.88	-38.54
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(F)F)=C1	REAL300010936952	0	38	-1.0	-43.82	302.38	3.50	-40.32
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(=O)OC	REAL300010936953	0	44	-1.0	-48.75	354.99	4.51	-44.24
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C1	REAL300010936954	0	44	-1.0	-47.45	351.45	5.43	-42.02
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936955	0	37	-1.0	-43.24	318.62	1.08	-42.16
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936956	0	37	-1.0	-43.38	319.33	4.99	-38.39
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936956	1	36	-2.0	-107.45	322.93	5.23	-102.22
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936957	0	36	-1.0	-47.64	293.69	2.68	-44.96
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936958	0	37	-1.0	-51.25	300.10	4.52	-46.73
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-]	REAL300010936958	1	36	-2.0	-123.96	308.17	4.74	-119.22
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010936959	0	36	-1.0	-45.67	289.09	3.38	-42.29
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1I	REAL300010936960	0	31	-1.0	-43.47	273.83	4.22	-39.25
CCOC1=CC=CN=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936961	0	37	-1.0	-50.65	298.23	2.48	-48.17
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C=C1	REAL300010936962	0	42	-1.0	-47.62	348.51	3.93	-43.69
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NC=CC=C12	REAL300010936963	0	39	-1.0	-50.86	311.56	4.14	-46.72
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010936964	0	26	-2.0	-97.02	259.57	1.61	-95.41
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=NS1	REAL300010936964	1	27	-1.0	-40.47	255.53	1.43	-39.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010936965	0	33	-1.0	-44.47	288.45	1.42	-43.05
CC1=CC(Cl)=CN=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300010936966	0	33	-1.0	-45.13	280.63	2.94	-42.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010936967	0	33	-1.0	-53.05	271.83	2.76	-50.29
CC(C)(CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010936967	1	32	-2.0	-124.26	275.93	2.37	-121.89
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C(Cl)S1	REAL300010936968	0	31	-1.0	-42.54	278.26	3.33	-39.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010936969	0	33	-1.0	-49.72	282.29	2.49	-47.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300010936970	0	38	-1.0	-45.85	326.64	3.90	-41.95
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300010936971	0	44	-1.0	-46.71	343.04	4.93	-41.78
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C([O-])C=CC=C1OC(F)(F)F	REAL300010936972	0	35	-2.0	-97.11	301.69	2.73	-94.38
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(O)C=CC=C1OC(F)(F)F	REAL300010936972	1	36	-1.0	-48.32	303.05	1.86	-46.46
CCC1(CC)COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010936973	0	47	-1.0	-46.56	341.33	3.92	-42.64
CCC1(CC)COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010936974	0	42	-1.0	-48.76	325.45	4.67	-44.09
CCC1(C)COCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010936975	0	44	-1.0	-46.58	322.12	3.37	-43.21
CCC1(C)COCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010936976	0	39	-1.0	-47.59	311.87	4.24	-43.35
CC1(C)C(=O)NCCCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010936977	0	44	-1.0	-53.57	324.01	1.88	-51.69
CC1(C)C(=O)NCCCN1S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010936978	0	39	-1.0	-59.40	309.56	3.20	-56.20
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CN=C2Cl)CC1	REAL300010936979	0	38	-1.0	-56.54	319.20	3.58	-52.96
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300010936980	0	39	-1.0	-50.55	339.24	5.64	-44.91
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300010936981	0	39	-1.0	-51.88	323.37	5.40	-46.48
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)CC1	REAL300010936982	0	51	-1.0	-50.90	371.93	7.42	-43.48
COCC1(C(=O)[O-])CCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1	REAL300010936983	0	48	-1.0	-54.05	382.92	5.67	-48.38
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C(=O)OC)CC1	REAL300010936984	0	45	-1.0	-54.95	357.21	6.72	-48.23
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)C=C1	REAL300010936985	0	48	-1.0	-52.84	394.57	6.62	-46.22
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300010936986	0	39	-1.0	-55.49	339.27	5.88	-49.61
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC)C([N+](=O)[O-])=C2)CC1	REAL300010936987	0	45	-1.0	-60.42	373.64	5.82	-54.60
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300010936988	0	51	-1.0	-55.41	394.45	6.76	-48.65
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(C)C)C=C2)CC1	REAL300010936989	0	48	-1.0	-55.48	378.47	6.37	-49.11
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)C=C1	REAL300010936990	0	51	-1.0	-55.42	396.93	7.03	-48.39
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C)S2)CC1	REAL300010936991	0	39	-1.0	-50.72	331.76	4.83	-45.89
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3NC(=O)NC3=C2)CC1	REAL300010936992	0	43	-1.0	-54.77	353.68	1.83	-52.94
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(CNC(C)=O)C=C2)CC1	REAL300010936993	0	49	-1.0	-60.29	400.46	3.45	-56.84
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300010936994	0	41	-1.0	-51.00	349.30	5.98	-45.02
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300010936995	0	39	-1.0	-56.77	339.11	5.67	-51.10
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300010936996	0	36	-1.0	-48.99	326.46	4.76	-44.23
CCCC1=CC=C(S(=O)(=O)N2CCC(COC)(C(=O)[O-])CC2)C=C1	REAL300010936997	0	48	-1.0	-55.59	382.64	6.66	-48.93
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC)CC1	REAL300010936998	0	43	-1.0	-58.52	342.81	4.25	-54.27
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(F)=C2F)CC1	REAL300010936999	0	39	-1.0	-53.62	330.86	5.15	-48.47
COCC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300010937000	0	39	-1.0	-48.93	351.40	6.05	-42.88
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=C1F	REAL300010938702	0	37	-1.0	-48.97	322.03	3.95	-45.02
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC(F)F)C=C3)(C1)C2	REAL300010938703	0	37	-1.0	-50.81	330.73	4.12	-46.69
COC(=O)C1CCCCC1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938704	0	42	-1.0	-54.68	340.23	5.34	-49.34
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938705	0	45	-1.0	-47.42	360.83	4.92	-42.50
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938706	0	38	-1.0	-48.51	344.31	5.97	-42.54
CC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938707	0	37	-1.0	-52.23	322.44	2.47	-49.76
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938708	0	38	-1.0	-47.40	329.93	5.81	-41.59
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Br)=CC4=C3OCC4)(C1)C2	REAL300010938709	0	35	-1.0	-50.58	329.51	4.26	-46.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(I)C=C3)(C1)C2	REAL300010938710	0	30	-1.0	-46.79	294.16	4.69	-42.10
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])(C1)C2	REAL300010938711	0	32	-1.0	-51.61	289.31	5.32	-46.29
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)O3)(C1)C2	REAL300010938712	0	27	-1.0	-50.00	274.09	2.51	-47.49
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Br)O3)(C1)C2	REAL300010938712	1	26	-2.0	-101.88	274.16	2.10	-99.78
N#CC1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCCCC1	REAL300010938713	0	40	-1.0	-57.52	322.74	4.55	-52.97
CC1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCCCC1	REAL300010938714	0	42	-1.0	-47.84	318.00	5.17	-42.67
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC([N+](=O)[O-])=C3)(C1)C2	REAL300010938715	0	32	-1.0	-47.53	294.69	4.28	-43.25
COC1=CC(Br)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938716	0	34	-1.0	-48.43	317.11	3.50	-44.93
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN1C	REAL300010938717	0	40	-1.0	-49.56	350.02	4.56	-45.00
O=C([O-])C12CC(NS(=O)(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)(C1)C2	REAL300010938718	0	43	-1.0	-58.29	379.31	4.74	-53.55
CCC1=NOC2=NC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C12	REAL300010938719	0	37	-1.0	-54.43	327.74	1.24	-53.19
CCC1=NC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938720	0	32	-1.0	-47.32	296.58	2.20	-45.12
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=C5C(=C3)CC(=O)N5CCC4)(C1)C2	REAL300010938721	0	42	-1.0	-50.78	350.78	5.02	-45.76
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=CC=C3Cl)(C1)C2	REAL300010938722	0	30	-1.0	-51.28	284.44	4.46	-46.82
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C=CC=C3Cl)(C1)C2	REAL300010938722	1	29	-2.0	-113.14	285.84	4.22	-108.92
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Cl)=N1	REAL300010938723	0	32	-1.0	-48.26	301.78	3.15	-45.11
COC1=CC(C#N)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938724	0	35	-1.0	-49.86	321.05	4.00	-45.86
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C([N+](=O)[O-])C4=CC=CN=C43)(C1)C2	REAL300010938725	0	37	-1.0	-51.32	336.91	5.01	-46.31
CSC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938726	0	34	-1.0	-46.57	321.66	5.08	-41.49
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938727	0	32	-1.0	-46.09	305.71	3.98	-42.11
CN(C)S(=O)(=O)CCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938728	0	40	-1.0	-57.29	350.98	0.21	-57.08
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN=C1Cl	REAL300010938729	0	33	-1.0	-46.00	306.77	1.53	-44.47
CC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938730	0	35	-1.0	-48.70	306.83	3.97	-44.73
CCN1C(=O)OC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C21	REAL300010938731	0	39	-1.0	-58.15	342.23	4.57	-53.58
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC4CCOC4)C(F)=C3)(C1)C2	REAL300010938732	0	45	-1.0	-55.09	380.23	4.05	-51.04
O=C([O-])C12CC(NS(=O)(=O)C3=CSC([N+](=O)[O-])=C3)(C1)C2	REAL300010938733	0	29	-1.0	-46.53	288.00	3.42	-43.11
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938734	0	48	0.0	-69.91	378.96	4.68	-65.23
CCC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938735	0	39	-1.0	-50.25	334.42	5.83	-44.42
CC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938736	0	36	-1.0	-49.62	318.20	5.07	-44.55
CC1=CC(Br)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938737	0	33	-1.0	-47.69	308.87	5.20	-42.49
O=C([O-])C12CC(NS(=O)(=O)C3=CNC4=CC=CC(F)=C34)(C1)C2	REAL300010938738	0	34	-1.0	-52.61	310.24	3.82	-48.79
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Br)C=C3F)(C1)C2	REAL300010938739	0	30	-1.0	-46.07	298.80	4.50	-41.57
COC1=CC=CC(OC)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938740	0	38	-1.0	-52.08	315.91	4.20	-47.88
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1C	REAL300010938741	0	57	-1.0	-47.42	450.00	8.04	-39.38
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4OCC3)(C1)C2	REAL300010938742	0	39	-1.0	-49.90	330.74	5.18	-44.72
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938743	0	44	-1.0	-52.10	394.03	4.92	-47.18
N#CC1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938744	0	31	-1.0	-50.63	305.85	4.79	-45.84
CC1=NC(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CS1	REAL300010938745	0	32	-1.0	-50.98	298.04	2.04	-48.94
O=C([O-])C12CC(NS(=O)(=O)C3=CN(CC(F)(F)F)N=C3)(C1)C2	REAL300010938746	0	33	-1.0	-55.93	311.27	2.61	-53.32
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=C(Br)C=C4C=C3)(C1)C2	REAL300010938747	0	36	-1.0	-48.85	333.46	6.46	-42.39
COC(=O)CCCCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938748	0	41	-1.0	-54.00	351.58	4.52	-49.48
CN1N=CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CN=C21	REAL300010938749	0	35	-1.0	-49.57	310.85	2.73	-46.84
COC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938750	0	38	-1.0	-50.16	333.54	1.80	-48.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC(C(F)(F)F)=C3)(C1)C2	REAL300010938752	0	33	-1.0	-45.98	321.84	5.09	-40.89
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938753	0	41	-1.0	-51.80	328.03	1.11	-50.69
COC1=C(F)C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938754	0	36	-1.0	-53.01	329.79	4.41	-48.60
COC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938755	0	40	-1.0	-50.13	357.39	2.92	-47.21
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(N4CCOC4=O)C([N+](=O)[O-])=C3)(C1)C2	REAL300010938756	0	41	-1.0	-64.59	365.33	5.43	-59.16
COC1=CC=C(CCS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938757	0	40	-1.0	-50.80	342.48	4.45	-46.35
O=C([O-])C12CC(NS(=O)(=O)C3=CN(CC(F)F)N=C3)(C1)C2	REAL300010938758	0	33	-1.0	-48.88	304.99	2.44	-46.44
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=C4OCCC4=C3)(C1)C2	REAL300010938759	0	41	-1.0	-51.27	348.87	4.99	-46.28
CC1=CC=NC2=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=CC=C12	REAL300010938760	0	38	-1.0	-53.77	329.79	5.00	-48.77
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(C(F)F)=C3)(C1)C2	REAL300010938761	0	33	-1.0	-50.21	300.64	4.54	-45.67
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)C=C3F)(C1)C2	REAL300010938762	0	33	-1.0	-46.20	316.24	4.88	-41.32
CC1=CC(Br)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938763	0	33	-1.0	-49.22	309.09	4.86	-44.36
CSC1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938764	0	34	-1.0	-50.60	308.03	4.92	-45.68
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938765	0	41	-1.0	-56.06	343.34	3.31	-52.75
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)NC3CC3)(C1)C2	REAL300010938766	0	42	-1.0	-50.44	361.88	3.71	-46.73
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(S(=O)(=O)C(F)(F)F)C=C3)(C1)C2	REAL300010938767	0	36	-1.0	-50.29	346.85	1.72	-48.57
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C(C4=CC=CC=C4)N=C3)(C1)C2	REAL300010938768	0	38	-1.0	-51.01	335.91	4.80	-46.21
COC(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938769	0	40	-1.0	-50.13	357.39	2.92	-47.21
CN(C)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938770	0	38	-1.0	-49.32	318.97	4.02	-45.30
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)C(F)=C3)(C1)C2	REAL300010938771	0	33	-1.0	-49.15	314.07	4.93	-44.22
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(OC)=C1	REAL300010938772	0	40	-1.0	-50.28	354.99	4.26	-46.02
COC(=O)C1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C)=CS1	REAL300010938773	0	36	-1.0	-49.79	322.80	4.89	-44.90
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1F	REAL300010938774	0	34	-1.0	-48.15	302.18	2.98	-45.17
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938775	0	41	-1.0	-53.84	362.14	3.91	-49.93
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938776	0	44	-1.0	-52.29	388.40	4.95	-47.34
CC(C)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938777	0	39	-1.0	-49.16	325.76	5.89	-43.27
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3OCC3CCC3)(C1)C2	REAL300010938778	0	44	-1.0	-50.08	386.22	7.07	-43.01
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938779	0	38	-1.0	-53.96	343.94	5.94	-48.02
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=C(Br)C=C3F)(C1)C2	REAL300010938780	0	30	-1.0	-45.56	313.56	4.96	-40.60
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C(Br)C=C3F)(C1)C2	REAL300010938780	1	29	-2.0	-101.21	311.40	4.52	-96.69
C[NH+](C)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938781	0	42	0.0	-74.06	344.73	5.48	-68.58
CN(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938782	0	38	-1.0	-49.79	318.80	4.00	-45.79
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2O1	REAL300010938783	0	45	-1.0	-51.17	390.00	6.28	-44.89
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=CS3)(C1)C2	REAL300010938784	0	33	-1.0	-50.10	303.26	4.26	-45.84
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938785	0	42	-1.0	-56.38	363.93	6.19	-50.19
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(F)=C3Cl)(C1)C2	REAL300010938786	0	30	-1.0	-45.50	307.11	4.94	-40.56
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC=C(Cl)C(F)=C3Cl)(C1)C2	REAL300010938786	1	29	-2.0	-100.77	304.96	4.53	-96.24
CC1=C(Cl)SC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938787	0	30	-1.0	-48.03	295.41	3.82	-44.21
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4OC3)(C1)C2	REAL300010938788	0	36	-1.0	-49.00	315.49	4.21	-44.79
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938789	0	34	-1.0	-48.15	306.99	3.17	-44.98
CC1=CC=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1[N+](=O)[O-]	REAL300010938790	0	38	-1.0	-50.04	319.51	6.44	-43.60
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(CC(F)(F)F)C=C3)(C1)C2	REAL300010938791	0	36	-1.0	-49.58	327.33	5.37	-44.21
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938792	0	40	-1.0	-48.32	361.22	6.81	-41.51
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938793	0	33	-1.0	-48.95	314.52	5.27	-43.68
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC=CC=C4N=C3)(C1)C2	REAL300010938794	0	35	-1.0	-54.18	307.55	3.87	-50.31
CC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938795	0	36	-1.0	-49.98	318.20	5.07	-44.91
CC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938796	0	38	-1.0	-56.38	334.52	5.89	-50.49
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Cl)=C3Br)(C1)C2	REAL300010938797	0	30	-1.0	-46.96	303.28	5.01	-41.95
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938798	0	40	-1.0	-48.32	361.22	6.81	-41.51
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C(Cl)C(F)=C3)(C1)C2	REAL300010938799	0	29	-1.0	-46.97	284.24	2.26	-44.71
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(Br)=C3)(C1)C2	REAL300010938800	0	30	-1.0	-45.35	302.59	4.69	-40.66
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4ON=C(C5=CC=CC=C5)C4=C3)(C1)C2	REAL300010938801	0	41	-1.0	-49.35	363.04	3.43	-45.92
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(F)C(F)=CC(F)=C3F)(C1)C2	REAL300010938802	0	29	-2.0	-105.16	290.87	3.79	-101.37
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938803	0	40	-1.0	-49.61	325.30	5.45	-44.16
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C#N	REAL300010938804	0	34	-1.0	-48.60	306.42	4.50	-44.10
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938805	0	36	-1.0	-48.81	325.76	4.29	-44.52
COC1=CC=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938806	0	34	-1.0	-50.79	317.00	4.12	-46.67
O=C([O-])C12CC(NS(=O)(=O)C3=CNC(C(F)(F)F)=C3)(C1)C2	REAL300010938807	0	31	-1.0	-52.44	294.69	2.37	-50.07
O=C([O-])C12CC(NS(=O)(=O)CCC3CC4=CC=CC=C4C3)(C1)C2	REAL300010938808	0	43	-1.0	-51.05	356.39	6.95	-44.10
CC(C)(C)C1=CC(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=NO1	REAL300010938809	0	41	-1.0	-50.27	349.59	4.39	-45.88
O=C([O-])C12CC(NC(=O)N3CCC(CC4=CC=CC=C4)CC3)(C1)C2	REAL300010938810	0	47	-1.0	-52.72	368.22	9.88	-42.84
CN(C)C1=CC=CC2=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=CC=C12	REAL300010938811	0	44	-1.0	-49.80	366.42	6.05	-43.75
COC1=CC=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938812	0	37	-1.0	-52.23	316.81	3.91	-48.32
COC(=O)C1=CN=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938813	0	35	-1.0	-49.40	316.30	2.37	-47.03
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938814	0	31	-1.0	-46.75	306.94	4.50	-42.25
O=C([O-])C12CC(NS(=O)(=O)C3=CC([N+](=O)[O-])=C(Cl)C=C3Cl)(C1)C2	REAL300010938815	0	32	-1.0	-48.73	325.74	5.42	-43.31
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC([N+](=O)[O-])=C(Cl)C=C3Cl)(C1)C2	REAL300010938815	1	31	-2.0	-97.58	323.58	5.00	-92.58
COC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938816	0	37	-1.0	-51.72	332.11	4.59	-47.13
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938817	0	36	-1.0	-47.55	340.24	4.20	-43.35
CN(C)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938818	0	37	-1.0	-52.29	316.40	3.33	-48.96
COC1=CC(Cl)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300010938819	0	38	-1.0	-49.12	343.76	3.60	-45.52
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC(F)F)C(F)=C3)(C1)C2	REAL300010938820	0	34	-1.0	-49.64	311.93	3.25	-46.39
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)C(F)=C3)(C1)C2	REAL300010938821	0	33	-1.0	-45.77	310.64	4.64	-41.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C	REAL300010938822	0	41	-1.0	-54.99	358.32	0.58	-54.41
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2S1	REAL300010938823	0	42	-1.0	-53.10	380.93	6.65	-46.45
N#CCC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938824	0	34	-1.0	-54.48	308.71	4.77	-49.71
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC=C3S(=O)(=O)C(F)F)(C1)C2	REAL300010938825	0	36	-1.0	-56.99	318.27	2.96	-54.03
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=N1	REAL300010938826	0	35	-1.0	-60.84	323.29	-0.87	-61.71
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938827	0	36	-1.0	-48.45	332.25	4.55	-43.90
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938828	0	38	-1.0	-56.68	348.07	5.67	-51.01
COC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(Br)=C1	REAL300010938829	0	34	-1.0	-47.57	317.83	3.88	-43.69
CC1=CC2=C(C=C1S(=O)(=O)NC13CC(C(=O)[O-])(C1)C3)OCO2	REAL300010938830	0	36	-1.0	-51.35	313.34	3.27	-48.08
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938831	0	36	-1.0	-49.50	322.46	4.97	-44.53
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3Cl)(C1)C2	REAL300010938832	0	30	-1.0	-45.75	301.75	4.91	-40.84
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938833	0	36	-1.0	-46.69	303.66	5.49	-41.20
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3Br)(C1)C2	REAL300010938834	0	30	-1.0	-47.27	305.17	5.08	-42.19
COC1=CC2=C(C=C1S(=O)(=O)NC13CC(C(=O)[O-])(C1)C3)OCC(=O)N2	REAL300010938835	0	40	-1.0	-53.87	350.96	0.83	-53.04
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC([N+](=O)[O-])=CC(Cl)=C3F)(C1)C2	REAL300010938836	0	31	-2.0	-99.73	319.65	4.64	-95.09
O=C([O-])C12CC(NS(=O)(=O)C3=CC([N+](=O)[O-])=CC(Cl)=C3F)(C1)C2	REAL300010938836	1	32	-1.0	-47.16	321.82	5.06	-42.10
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=C([N+](=O)[O-])C=C3F)(C1)C2	REAL300010938837	0	32	-1.0	-46.10	318.09	4.93	-41.17
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C([N+](=O)[O-])C=C3F)(C1)C2	REAL300010938837	1	31	-2.0	-95.81	315.92	4.52	-91.29
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C(F)C=C3Cl)(C1)C2	REAL300010938838	0	30	-1.0	-45.61	292.75	4.86	-40.75
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=C(F)C=C3Cl)(C1)C2	REAL300010938838	1	29	-2.0	-100.83	299.80	4.77	-96.06
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=NSN=C43)(C1)C2	REAL300010938839	0	31	-1.0	-50.66	296.63	2.12	-48.54
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(Br)=C3F)(C1)C2	REAL300010938840	0	30	-1.0	-47.62	298.04	4.49	-43.13
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1OC	REAL300010938841	0	40	-1.0	-50.68	348.51	4.32	-46.36
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C=C3Br)(C1)C2	REAL300010938842	0	30	-1.0	-45.59	305.09	5.09	-40.50
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC(Cl)=C3)(C1)C2	REAL300010938843	0	33	-1.0	-49.23	308.20	4.87	-44.36
CC(=O)NC1=NC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938844	0	33	-1.0	-53.59	311.46	1.09	-52.50
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938844	1	32	-2.0	-96.68	308.27	-0.02	-96.70
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC(Br)=C3)(C1)C2	REAL300010938845	0	33	-1.0	-49.11	312.77	4.97	-44.14
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938846	0	34	-1.0	-51.55	317.56	0.87	-50.68
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938847	0	39	-1.0	-51.71	337.94	6.23	-45.48
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938848	0	38	-1.0	-50.16	329.88	2.16	-48.00
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938849	0	34	-1.0	-51.26	322.12	0.97	-50.29
CCOC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938850	0	37	-1.0	-48.43	317.82	3.83	-44.60
CC1(C)CC2=CC=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=C2O1	REAL300010938851	0	41	-1.0	-51.46	349.71	5.04	-46.42
N#CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C(F)(F)F	REAL300010938852	0	34	-1.0	-53.99	323.12	4.78	-49.21
COCCN(CCC#N)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938853	0	39	-1.0	-54.58	337.09	2.67	-51.91
CC1=CC=C(CCS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938854	0	39	-1.0	-49.83	334.38	5.82	-44.01
COC1=CC=C(Br)C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938855	0	37	-1.0	-51.01	337.74	4.22	-46.79
N#CC1CN(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCO1	REAL300010938856	0	34	-1.0	-49.35	296.62	0.78	-48.57
CCN(CC(C)C#N)S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938857	0	38	-1.0	-50.28	318.76	3.38	-46.90
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C3OCO4)(C1)C2	REAL300010938858	0	33	-1.0	-50.17	298.51	2.45	-47.72
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938859	0	31	-1.0	-48.83	309.73	4.61	-44.22
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938860	0	31	-1.0	-48.65	311.30	4.74	-43.91
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938861	0	36	-1.0	-47.87	326.07	5.60	-42.27
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=C4CCC(=O)C4=C3)(C1)C2	REAL300010938862	0	36	-1.0	-55.77	333.13	5.37	-50.40
COCCOCCOCCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938863	0	44	-1.0	-52.45	376.26	0.98	-51.47
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938864	0	40	-1.0	-62.53	360.94	1.12	-61.41
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC(F)=C3F)(C1)C2	REAL300010938865	0	29	-2.0	-109.28	292.16	4.25	-105.03
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC(F)=C3F)(C1)C2	REAL300010938865	1	30	-1.0	-52.74	286.01	4.39	-48.35
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2CC1	REAL300010938866	0	47	-1.0	-54.73	378.05	5.50	-49.23
COC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(F)(F)F	REAL300010938867	0	39	-1.0	-48.18	351.38	5.07	-43.11
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1OC	REAL300010938868	0	40	-1.0	-48.19	365.23	5.35	-42.84
CCCC1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938869	0	39	-1.0	-47.78	349.47	6.60	-41.18
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938870	0	39	-1.0	-47.94	345.30	6.31	-41.63
CN(C(=O)NC12CC(C(=O)[O-])(C1)C2)C1CCS(=O)(=O)C1	REAL300010938871	0	37	-1.0	-61.63	309.60	2.35	-59.28
CNC(=O)C1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938872	0	40	-1.0	-57.27	347.95	2.64	-54.63
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3F)(C1)C2	REAL300010938873	0	30	-1.0	-47.93	294.18	4.40	-43.53
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=CC=C3F)(C1)C2	REAL300010938873	1	29	-2.0	-107.99	292.02	3.96	-104.03
O=C([O-])C12CC(NS(=O)(=O)CCCOCC3=CC=CC=C3)(C1)C2	REAL300010938874	0	43	-1.0	-51.88	368.55	5.22	-46.66
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1Cl	REAL300010938875	0	39	-1.0	-47.75	366.58	5.84	-41.91
CCOC(=O)C1=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(F)C=C1Cl	REAL300010938875	1	38	-2.0	-102.26	364.40	5.45	-96.81
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CC([N+](=O)[O-])=C3Cl)(C1)C2	REAL300010938876	0	32	-1.0	-53.75	311.47	5.36	-48.39
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CC([N+](=O)[O-])=C3Cl)(C1)C2	REAL300010938876	1	31	-2.0	-104.58	317.34	5.22	-99.36
O=C([O-])C12CC(NS(=O)(=O)CC3CCCS(=O)(=O)C3)(C1)C2	REAL300010938877	0	39	-1.0	-60.11	329.00	0.84	-59.27
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938878	0	37	-2.0	-106.72	337.91	4.90	-101.82
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1OC	REAL300010938879	0	41	-1.0	-51.22	366.89	3.53	-47.69
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1C	REAL300010938880	0	42	-1.0	-48.84	369.15	5.95	-42.89
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938881	0	44	-1.0	-53.23	377.86	1.79	-51.44
COCC1=CC=C(OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938882	0	41	-1.0	-51.93	355.33	3.32	-48.61
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938883	0	43	-1.0	-56.90	376.81	5.18	-51.72
CCOC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C	REAL300010938884	0	42	-1.0	-51.74	359.13	5.72	-46.02
O=C([O-])C12CC(NS(=O)(=O)C3=CSC4=CC=CC=C34)(C1)C2	REAL300010938885	0	33	-1.0	-49.16	308.53	5.18	-43.98
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938886	0	42	-1.0	-53.08	365.13	5.93	-47.15
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938887	0	36	-1.0	-48.47	343.99	6.52	-41.95
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C12CC(C(=O)[O-])(C1)C2	REAL300010938887	1	35	-2.0	-112.07	343.20	6.16	-105.91
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3C(F)(F)F)(C1)C2	REAL300010938888	0	33	-1.0	-46.98	312.95	5.89	-41.09
CC(COC1CCCC1)CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938889	0	46	-1.0	-49.15	368.28	5.03	-44.12
CC1=C(CCS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)SC=N1	REAL300010938890	0	35	-1.0	-50.53	316.95	2.89	-47.64
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=CC(Cl)=C3)(C1)C2	REAL300010938891	0	36	-1.0	-48.85	329.63	5.67	-43.18
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938892	0	39	-1.0	-53.22	354.07	5.46	-47.76
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(C4=CC=CC=C4)=C3)(C1)C2	REAL300010938893	0	40	-1.0	-49.13	340.66	7.02	-42.11
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938894	0	44	-1.0	-53.32	385.53	1.38	-51.94
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=CC=C3Br)(C1)C2	REAL300010938895	0	33	-1.0	-51.74	308.17	4.92	-46.82
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN1C	REAL300010938896	0	42	-1.0	-48.96	369.07	4.74	-44.22
CS(=O)(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Cl	REAL300010938897	0	36	-1.0	-52.52	336.78	1.51	-51.01
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C=CC=C3OC(F)(F)F)(C1)C2	REAL300010938898	0	34	-1.0	-50.29	311.33	4.40	-45.89
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)F)C=C3)(C1)C2	REAL300010938899	0	33	-1.0	-48.15	300.55	4.52	-43.63
CC1=NC(Cl)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938900	0	32	-1.0	-47.33	298.76	3.35	-43.98
CC1=NC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(Br)N1C	REAL300010938901	0	33	-1.0	-54.51	312.33	3.38	-51.13
CC1=NC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C(Br)N1C	REAL300010938901	1	32	-2.0	-115.84	310.40	2.86	-112.98
O=C([O-])C12CC(NS(=O)(=O)C3=CN=CC([N+](=O)[O-])=C3)(C1)C2	REAL300010938902	0	31	-1.0	-47.06	289.89	2.40	-44.66
COC(=O)C(C)(C)CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938903	0	38	-1.0	-49.89	316.62	3.59	-46.30
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938904	0	43	-1.0	-53.44	360.42	4.47	-48.97
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3[O-])(C1)C2	REAL300010938905	0	33	-2.0	-90.95	316.89	3.34	-87.61
O=C([O-])C12CC(NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3O)(C1)C2	REAL300010938905	1	34	-1.0	-50.59	320.39	2.50	-48.09
CCOC(=O)CC1(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CC1	REAL300010938906	0	39	-1.0	-56.18	325.26	4.94	-51.24
N#CC1=CC(F)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938907	0	31	-1.0	-47.00	317.90	4.78	-42.22
N#CC1=CC(F)=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C=C1Br	REAL300010938907	1	30	-2.0	-99.30	315.76	4.34	-94.96
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938908	0	41	-1.0	-53.71	371.25	3.09	-50.62
CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1C(=O)OC(C)C	REAL300010938909	0	45	-1.0	-51.83	379.38	6.43	-45.40
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938910	0	42	-1.0	-55.83	369.97	2.80	-53.03
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4NC(=O)C=NC4=C3)(C1)C2	REAL300010938911	0	35	-1.0	-49.58	312.85	0.81	-48.77
COC(=O)C1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCCC1	REAL300010938912	0	42	-1.0	-52.69	342.03	4.71	-47.98
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C(Cl)C(Br)=C3)(C1)C2	REAL300010938913	0	29	-1.0	-46.24	297.81	2.78	-43.46
COCC1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938914	0	37	-1.0	-49.63	338.07	3.81	-45.82
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1C(F)(F)F	REAL300010938915	0	36	-1.0	-47.07	320.90	5.12	-41.95
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC4=CC=C(Cl)C=C4)C=C3)(C1)C2	REAL300010938916	0	41	-1.0	-48.26	371.72	6.94	-41.32
COC(=O)CC1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938917	0	39	-1.0	-53.37	343.27	5.02	-48.35
O=C([O-])C12CC(NS(=O)(=O)C3=C4N=CSC4=CC=C3)(C1)C2	REAL300010938918	0	32	-1.0	-51.94	303.10	3.22	-48.72
O=C([O-])C12CC(NS(=O)(=O)CCC3=CC=CC=C3Br)(C1)C2	REAL300010938919	0	36	-1.0	-51.72	329.23	5.60	-46.12
COC(=O)C1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCC1	REAL300010938920	0	39	-1.0	-51.93	326.86	4.11	-47.82
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)S3)(C1)C2	REAL300010938921	0	30	-1.0	-48.73	299.10	3.80	-44.93
N#CC1=CC(F)=CC=C1CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938922	0	34	-1.0	-49.65	316.25	4.67	-44.98
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938923	0	43	-1.0	-56.82	376.12	3.95	-52.87
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938924	0	46	-1.0	-56.84	397.97	4.88	-51.96
COC(=O)C1(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)CCCCC1	REAL300010938925	0	45	-1.0	-53.89	353.81	5.40	-48.49
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CN=C1C	REAL300010938926	0	38	-1.0	-48.14	332.61	2.93	-45.21
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC(OC(F)(F)F)=C3F)(C1)C2	REAL300010938927	0	34	-1.0	-47.16	323.24	3.69	-43.47
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938928	0	39	-1.0	-47.91	359.68	5.67	-42.24
N#CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938929	0	31	-1.0	-47.55	293.15	4.04	-43.51
O=C([O-])C12CC(NS(=O)(=O)CCC3CCOCC3)(C1)C2	REAL300010938930	0	40	-1.0	-49.68	324.89	2.93	-46.75
O=C([O-])C12CC(NS(=O)(=O)CCCCN3C(=O)C4=CC=CC=C4C3=O)(C1)C2	REAL300010938931	0	46	-1.0	-57.54	400.81	5.52	-52.02
CC1=CC(C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)S1	REAL300010938932	0	33	-1.0	-48.82	294.79	3.88	-44.94
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C(F)(F)F)N=C3Cl)(C1)C2	REAL300010938933	0	32	-1.0	-46.48	319.89	3.55	-42.93
O=C([O-])C12CC(NS(=O)(=O)CC34CCC(CC3)CC4)(C1)C2	REAL300010938934	0	43	-1.0	-48.39	325.14	5.67	-42.72
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4C(=O)CCCC4=C3)(C1)C2	REAL300010938935	0	39	-1.0	-53.88	331.27	5.20	-48.68
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C4=NON=C43)(C1)C2	REAL300010938936	0	31	-1.0	-47.55	304.81	3.11	-44.44
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(C(F)F)C=C3)(C1)C2	REAL300010938937	0	36	-1.0	-51.36	323.65	5.23	-46.13
CN1C=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)=N1	REAL300010938938	0	33	-1.0	-49.19	311.31	2.80	-46.39
CN1C=C(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)C(C(F)(F)F)=N1	REAL300010938938	1	32	-2.0	-107.18	308.42	2.26	-104.92
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=C(F)C=C3[N+](=O)[O-])(C1)C2	REAL300010938939	0	32	-1.0	-45.31	313.45	5.88	-39.43
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC(Cl)=C(F)C=C3[N+](=O)[O-])(C1)C2	REAL300010938939	1	31	-2.0	-103.68	313.44	5.63	-98.05
COC(=O)C1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C(F)C=C1C	REAL300010938940	0	39	-1.0	-48.78	347.23	5.03	-43.75
CC1=CC2=CC(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)=CC=C2N=C1Cl	REAL300010938941	0	38	-1.0	-47.55	342.72	4.97	-42.58
O=C([O-])C12CC(NS(=O)(=O)CC3CCCCC3(F)F)(C1)C2	REAL300010938942	0	39	-1.0	-49.47	321.30	4.83	-44.64
O=C([O-])C12CC(NS(=O)(=O)CCOCC3=CC=CC=C3)(C1)C2	REAL300010938943	0	40	-1.0	-50.70	347.05	4.44	-46.26
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(C(C)C)=C1	REAL300010938944	0	57	-1.0	-48.56	424.47	9.75	-38.81
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C(Cl)C=CN=C34)(C1)C2	REAL300010938945	0	35	-1.0	-51.07	326.42	4.88	-46.19
CCOC(=O)C1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938946	0	42	-1.0	-53.13	368.21	5.98	-47.15
COC(=O)C1=NC=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938947	0	35	-1.0	-51.51	312.02	3.48	-48.03
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938948	0	37	-1.0	-48.17	334.54	3.88	-44.29
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(C4CC4)C=C3)(C1)C2	REAL300010938949	0	37	-1.0	-48.51	315.50	5.68	-42.83
COC1=CC=C2C=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)CCC2=C1	REAL300010938950	0	42	-1.0	-49.21	353.77	5.42	-43.79
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OC4CC4)C=C3)(C1)C2	REAL300010938951	0	38	-1.0	-50.10	326.98	4.58	-45.52
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=CC(F)=CC=C4O3)(C1)C2	REAL300010938952	0	33	-1.0	-50.45	305.80	4.25	-46.20
O=C([O-])C12CC([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)(C1)C2	REAL300010938952	1	32	-2.0	-104.30	305.97	3.85	-100.45
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C4=CC=CC=C4S3)(C1)C2	REAL300010938953	0	33	-1.0	-49.37	317.53	5.65	-43.72
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C4=CC=CC=C4S3)(C1)C2	REAL300010938953	1	32	-2.0	-110.40	321.07	5.46	-104.94
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Br)C(F)=C3)(C1)C2	REAL300010938954	0	33	-1.0	-49.11	318.49	5.02	-44.09
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938955	0	39	-1.0	-58.85	352.17	1.87	-56.98
O=C([O-])C12CC(NS(=O)(=O)C3=C4OC=CC4=CC=C3)(C1)C2	REAL300010938956	0	33	-1.0	-51.43	299.83	4.13	-47.30
O=C([O-])C12CC(NS(=O)(=O)CCC3CCCCC3)(C1)C2	REAL300010938957	0	42	-1.0	-48.85	333.81	5.33	-43.52
CC1=CC2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2C=C1	REAL300010938958	0	39	-1.0	-50.18	333.56	6.51	-43.67
O=C([O-])C12CC(NS(=O)(=O)C3=C(Cl)C=CS3)(C1)C2	REAL300010938959	0	27	-1.0	-48.01	270.05	2.87	-45.14
O=C([O-])C12CC([N-]S(=O)(=O)C3=C(Cl)C=CS3)(C1)C2	REAL300010938959	1	26	-2.0	-107.68	277.76	2.87	-104.81
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938960	0	39	-1.0	-51.82	355.40	5.81	-46.01
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(OCC(=O)NC4CC4)C=C3)(C1)C2	REAL300010938961	0	45	-1.0	-53.60	387.98	4.14	-49.46
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938962	0	43	-1.0	-51.23	362.78	3.94	-47.29
O=C([O-])C12CC(NS(=O)(=O)CC3=C(F)C=CC=C3Cl)(C1)C2	REAL300010938963	0	33	-1.0	-51.35	310.25	4.84	-46.51
O=C([O-])C12CC(NS(=O)(=O)C3=C(F)C4=CC=CC=C4C=C3)(C1)C2	REAL300010938964	0	36	-1.0	-49.95	322.54	6.12	-43.83
CCC1=CC(CC)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(CC)=C1	REAL300010938965	0	48	-1.0	-47.75	373.63	8.65	-39.10
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCOC4=C3)(C1)C2	REAL300010938966	0	35	-1.0	-49.00	302.10	3.44	-45.56
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OCCC(=O)C4=C3)(C1)C2	REAL300010938967	0	37	-1.0	-57.68	322.32	3.33	-54.35
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4SC(Cl)=NC4=C3)(C1)C2	REAL300010938968	0	32	-1.0	-53.67	314.46	3.51	-50.16
COC1=CC(OC)=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938969	0	38	-1.0	-52.33	345.73	3.48	-48.85
O=C([O-])C12CC(NS(=O)(=O)C3=CN=C4ON=C(C5CC5)C4=C3)(C1)C2	REAL300010938970	0	38	-1.0	-47.79	337.47	2.15	-45.64
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938971	0	35	-1.0	-53.02	320.70	-1.44	-54.46
CC(C)(CCS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2)S(C)(=O)=O	REAL300010938972	0	41	-1.0	-63.45	340.91	0.77	-62.68
COC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Cl	REAL300010938973	0	34	-1.0	-47.64	311.99	3.46	-44.18
O=C([O-])C12CC(NS(=O)(=O)C3=CC4=C(C=C3F)NC(=O)O4)(C1)C2	REAL300010938974	0	33	-1.0	-51.53	309.15	1.39	-50.14
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938975	0	43	-1.0	-53.38	368.07	4.95	-48.43
O=C([O-])C12CC(NS(=O)(=O)C3=CC=CC4=C3OCC4)(C1)C2	REAL300010938976	0	35	-1.0	-51.17	308.20	3.64	-47.53
CC1=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C2=CC=CC(C)=C2S1	REAL300010938977	0	39	-1.0	-50.08	336.03	6.55	-43.53
O=C([O-])C12CC(NS(=O)(=O)C3=CC(F)=CC=C3OC(F)F)(C1)C2	REAL300010938978	0	34	-1.0	-50.87	315.86	3.85	-47.02
O=C([O-])C12CC(NS(=O)(=O)C3=CC(Cl)=CC=C3OC(F)F)(C1)C2	REAL300010938979	0	34	-1.0	-50.37	326.19	4.29	-46.08
COC(=O)CC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1F	REAL300010938980	0	39	-1.0	-56.31	348.70	5.06	-51.25
COC(CC1=CC=CC=C1)CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938981	0	43	-1.0	-51.56	362.42	4.88	-46.68
COC(CC(C)C)CS(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938982	0	42	-1.0	-50.29	339.68	3.17	-47.12
COC1=CC=C(F)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938983	0	34	-1.0	-51.54	306.67	3.66	-47.88
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Br)C=C3Cl)(C1)C2	REAL300010938984	0	33	-1.0	-47.33	326.23	5.42	-41.91
O=C([O-])C12CC(NS(=O)(=O)CCCC3CCOC3)(C1)C2	REAL300010938985	0	40	-1.0	-51.51	328.57	2.94	-48.57
O=C([O-])C12CC(NS(=O)(=O)CC3=CC(Cl)=CC=C3Br)(C1)C2	REAL300010938986	0	33	-1.0	-48.51	324.96	5.42	-43.09
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4OC(F)(F)OC4=C3)(C1)C2	REAL300010938987	0	33	-1.0	-50.99	305.89	2.70	-48.29
CCC1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1[N+](=O)[O-]	REAL300010938988	0	38	-1.0	-47.20	328.87	5.43	-41.77
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC12CC(C(=O)[O-])(C1)C2	REAL300010938989	0	46	-1.0	-50.98	376.43	5.92	-45.06
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C21	REAL300010938990	0	37	-1.0	-52.71	341.72	5.96	-46.75
N#CCC1=CC=C(CS(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1	REAL300010938991	0	37	-1.0	-55.79	333.72	5.53	-50.26
COC1=NC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C=C1Cl	REAL300010938992	0	33	-1.0	-48.64	309.75	0.83	-47.81
CCOC(=O)C1=CC=C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)C(F)=C1	REAL300010938993	0	39	-1.0	-48.05	354.12	5.48	-42.57
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010938994	0	39	-1.0	-52.13	359.87	5.24	-46.89
O=C([O-])C12CC(NS(=O)(=O)CC3=CC=C(Cl)C=C3)(C1)C2	REAL300010938995	0	33	-1.0	-49.39	308.20	4.88	-44.51
CC1=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=CC=C1Cl	REAL300010938996	0	33	-1.0	-47.13	301.93	4.71	-42.42
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C4CCC(=O)C4=C3)(C1)C2	REAL300010938997	0	36	-1.0	-60.61	314.38	4.57	-56.04
CC1=CSC(C2=CC=C(S(=O)(=O)NC34CC(C(=O)[O-])(C3)C4)C=C2)=N1	REAL300010938998	0	39	-1.0	-51.86	352.54	5.05	-46.81
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010938999	0	36	-1.0	-48.84	347.06	5.00	-43.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C23CC(C(=O)[O-])(C2)C3)=C1F	REAL300010938999	1	35	-2.0	-109.39	344.91	4.59	-104.80
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC23CC(C(=O)[O-])(C2)C3)=C1	REAL300010939000	0	39	-1.0	-52.93	352.47	5.17	-47.76
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1F	REAL300010946365	0	33	-1.0	-44.38	292.74	2.77	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300010946366	0	33	-1.0	-45.52	303.62	3.11	-42.41
COC(=O)C1CCCCC1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946367	0	38	-1.0	-55.23	296.56	3.89	-51.34
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946368	0	41	-1.0	-56.12	337.87	4.09	-52.03
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946369	0	34	-1.0	-41.68	314.65	4.83	-36.85
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946370	0	34	-1.0	-42.26	301.98	4.71	-37.55
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300010946371	0	31	-1.0	-55.07	285.68	4.37	-50.70
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)C=C2)CC1	REAL300010946372	0	26	-1.0	-40.05	267.05	3.66	-36.39
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946373	0	23	-1.0	-41.70	240.57	2.00	-39.70
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946373	1	22	-2.0	-123.28	239.92	1.98	-121.30
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946374	0	30	-1.0	-41.45	286.54	2.65	-38.80
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1C	REAL300010946375	0	36	-1.0	-48.57	319.00	3.76	-44.81
O=C([O-])C1(NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010946376	0	39	-1.0	-48.29	346.84	3.83	-44.46
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300010946377	0	33	-1.0	-43.44	296.92	0.43	-43.01
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CC1	REAL300010946378	0	38	-1.0	-44.13	319.88	4.16	-39.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300010946379	0	33	-1.0	-46.31	307.28	3.85	-42.46
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946380	0	30	-1.0	-42.01	290.75	4.14	-37.87
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946381	0	28	-1.0	-50.20	280.71	3.10	-47.10
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946382	0	36	-1.0	-43.93	318.52	-0.70	-44.63
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN=C1Cl	REAL300010946383	0	29	-1.0	-40.40	276.48	0.68	-39.72
CCN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946384	0	35	-1.0	-42.55	311.60	3.69	-38.86
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC1	REAL300010946385	0	41	-1.0	-42.50	349.29	3.12	-39.38
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946386	0	44	0.0	-85.61	355.99	3.84	-81.77
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946387	0	29	-1.0	-41.21	279.58	4.10	-37.11
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946388	0	32	-1.0	-42.32	317.62	4.04	-38.28
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946388	1	31	-2.0	-123.75	312.42	4.64	-119.11
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=C(Cl)C=C2Cl)CC1	REAL300010946389	0	26	-1.0	-37.60	290.01	4.25	-33.35
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(Cl)C=C2Cl)CC1	REAL300010946389	1	25	-2.0	-119.31	284.79	4.88	-114.43
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2F)CC1	REAL300010946390	0	26	-1.0	-55.22	254.87	3.68	-51.54
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946391	0	34	-1.0	-62.19	296.10	3.25	-58.94
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300010946392	0	53	-1.0	-55.65	427.04	7.21	-48.44
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300010946393	0	35	-1.0	-47.92	288.89	3.73	-44.19
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946394	0	40	-1.0	-45.89	363.18	3.51	-42.38
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946395	0	27	-1.0	-39.91	274.75	3.58	-36.33
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300010946396	0	29	-1.0	-45.36	280.04	1.74	-43.62
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CC1	REAL300010946397	0	41	-1.0	-68.81	339.78	3.90	-64.91
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CC1	REAL300010946398	0	32	-1.0	-41.33	302.88	5.59	-35.74
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)S1	REAL300010946399	0	28	-2.0	-120.18	301.14	3.67	-116.51
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946399	1	29	-1.0	-50.08	306.59	3.29	-46.79
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946400	0	34	-1.0	-44.04	306.40	0.78	-43.26
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300010946402	0	29	-1.0	-37.51	291.52	4.26	-33.25
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946403	0	37	-1.0	-63.74	300.05	0.92	-62.82
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946404	0	31	-1.0	-43.84	301.18	4.63	-39.21
COC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946405	0	32	-1.0	-39.57	299.15	3.55	-36.02
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946406	0	36	-1.0	-43.97	326.87	2.04	-41.93
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)CC1	REAL300010946407	0	37	-1.0	-44.58	334.65	4.55	-40.03
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCCCO2)CC1	REAL300010946408	0	44	-1.0	-47.09	384.59	5.31	-41.78
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CC1	REAL300010946409	0	41	-1.0	-45.84	364.67	3.76	-42.08
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300010946410	0	37	-1.0	-59.22	321.61	4.06	-55.16
CC1=CC=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C12	REAL300010946411	0	34	-1.0	-52.13	299.19	3.68	-48.45
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(OC)C=C1Br	REAL300010946412	0	34	-1.0	-44.99	319.32	2.17	-42.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CC1	REAL300010946413	0	29	-1.0	-54.76	272.32	4.06	-50.70
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946414	0	29	-1.0	-39.63	278.45	4.01	-35.62
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946415	0	33	-1.0	-44.13	309.37	2.36	-41.77
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946416	0	37	-1.0	-54.19	312.28	2.36	-51.83
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300010946417	0	38	-1.0	-47.75	334.97	2.40	-45.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CC1	REAL300010946418	0	32	-1.0	-41.37	318.15	0.92	-40.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(Cl)=C2Cl)CC1	REAL300010946419	0	26	-1.0	-38.51	288.52	4.21	-34.30
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)C(Cl)=C2Cl)CC1	REAL300010946419	1	25	-2.0	-119.82	283.25	4.83	-114.99
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300010946420	0	34	-1.0	-53.34	311.66	4.00	-49.34
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946421	0	36	-1.0	-43.97	326.87	2.04	-41.93
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)CC1	REAL300010946422	0	29	-1.0	-56.07	286.82	4.01	-52.06
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010946423	0	36	-1.0	-45.77	324.92	3.17	-42.60
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=CS1	REAL300010946424	0	32	-1.0	-44.53	297.84	3.87	-40.66
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946425	0	37	-1.0	-49.39	333.08	2.70	-46.69
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946426	0	40	-1.0	-46.29	357.86	3.74	-42.55
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300010946427	0	40	-1.0	-45.35	356.69	5.73	-39.62
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946428	0	34	-1.0	-45.35	313.47	4.75	-40.60
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010946429	0	26	-1.0	-37.47	278.30	3.66	-33.81
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010946429	1	25	-2.0	-122.63	277.15	4.38	-118.25
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010946430	0	41	-1.0	-43.29	359.42	5.40	-37.89
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946431	0	38	-1.0	-49.56	333.40	5.10	-44.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010946432	0	26	-1.0	-38.83	275.98	3.73	-35.10
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010946432	1	25	-2.0	-119.15	270.71	4.35	-114.80
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300010946433	0	34	-1.0	-57.76	293.48	5.49	-52.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300010946434	0	32	-1.0	-40.99	298.67	4.58	-36.41
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946435	0	36	-1.0	-39.45	327.12	5.50	-33.95
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946436	0	29	-1.0	-40.97	283.61	4.17	-36.80
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946437	0	34	-1.0	-45.12	299.89	4.67	-40.45
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)CC1	REAL300010946438	0	26	-1.0	-40.68	272.02	3.80	-36.88
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946439	0	28	-1.0	-38.50	285.86	4.75	-33.75
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946439	1	27	-2.0	-123.93	283.61	5.27	-118.66
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946440	0	36	-1.0	-39.45	327.12	5.50	-33.95
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CC1	REAL300010946441	0	26	-1.0	-38.30	271.67	3.74	-34.56
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CC1	REAL300010946442	0	37	-1.0	-46.10	332.73	2.51	-43.59
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010946443	0	25	-2.0	-126.60	256.62	3.62	-122.98
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946444	0	32	-1.0	-43.98	294.85	3.38	-40.60
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946445	0	30	-1.0	-44.77	286.19	2.73	-42.04
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300010946446	0	39	-1.0	-59.69	329.21	6.01	-53.68
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CC2)=NO1	REAL300010946447	0	37	-1.0	-45.07	321.94	3.36	-41.71
O=C([O-])C1(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)CC1	REAL300010946448	0	43	-1.0	-63.55	336.02	9.69	-53.86
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C12	REAL300010946449	0	40	-1.0	-47.28	335.04	4.79	-42.49
COC(=O)C1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946450	0	31	-1.0	-43.53	285.72	1.59	-41.94
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946451	0	27	-1.0	-38.05	276.03	3.58	-34.47
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010946452	0	28	-1.0	-38.31	294.60	4.22	-34.09
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010946452	1	27	-2.0	-117.88	289.34	4.85	-113.03
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946453	0	33	-1.0	-45.26	302.11	3.36	-41.90
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946454	0	32	-1.0	-39.55	308.71	3.45	-36.10
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300010946455	0	34	-1.0	-44.46	312.58	2.39	-42.07
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300010946456	0	30	-1.0	-43.42	281.00	2.32	-41.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CC1	REAL300010946457	0	29	-1.0	-37.26	279.86	3.73	-33.53
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946458	0	37	-1.0	-42.21	327.90	-0.32	-42.53
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2S1	REAL300010946459	0	38	-1.0	-41.72	350.32	5.76	-35.96
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)CC1	REAL300010946460	0	32	-1.0	-69.54	288.26	1.87	-67.67
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300010946461	0	31	-1.0	-44.17	292.46	-1.67	-45.84
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946462	0	32	-1.0	-55.91	288.31	3.72	-52.19
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946463	0	34	-1.0	-49.05	316.95	4.47	-44.58
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010946464	0	30	-1.0	-42.08	286.74	2.65	-39.43
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CC1	REAL300010946465	0	32	-1.0	-42.01	304.91	3.67	-38.34
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946466	0	32	-1.0	-44.66	292.79	3.83	-40.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300010946467	0	26	-1.0	-38.93	270.62	3.69	-35.24
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)CC1	REAL300010946468	0	26	-1.0	-39.74	273.96	3.87	-35.87
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CC1)OCC(=O)N2	REAL300010946469	0	36	-1.0	-47.99	320.52	-0.33	-48.32
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010946470	0	27	-2.0	-120.11	285.41	4.47	-115.64
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010946470	1	28	-1.0	-38.47	291.06	3.81	-34.66
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010946471	0	28	-1.0	-36.97	285.82	3.62	-33.35
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010946471	1	27	-2.0	-115.18	281.69	4.35	-110.83
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010946472	0	26	-1.0	-49.27	265.90	3.94	-45.33
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010946472	1	25	-2.0	-118.94	265.56	4.57	-114.37
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2Br)CC1	REAL300010946473	0	29	-1.0	-39.59	296.04	4.35	-35.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2F)CC1	REAL300010946474	0	26	-1.0	-59.41	254.08	3.65	-55.76
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300010946475	0	36	-1.0	-45.13	317.67	3.41	-41.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Br)CC1	REAL300010946476	0	26	-1.0	-38.60	273.99	3.86	-34.74
CC(=O)NC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946477	0	29	-1.0	-58.72	287.54	0.28	-58.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946477	1	28	-2.0	-101.43	284.26	-0.85	-102.28
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300010946478	0	29	-1.0	-41.03	280.64	4.11	-36.92
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946479	0	30	-1.0	-45.99	286.99	0.01	-45.98
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946480	0	35	-1.0	-47.79	307.27	4.98	-42.81
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946481	0	34	-1.0	-56.25	301.66	1.56	-54.69
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946482	0	30	-1.0	-45.86	291.55	0.12	-45.74
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2O1	REAL300010946483	0	37	-1.0	-61.06	320.89	4.42	-56.64
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300010946484	0	30	-1.0	-36.87	292.20	3.86	-33.01
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946485	0	33	-1.0	-44.13	305.15	3.34	-40.79
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)N=C3C=CC(Br)=CN32)CC1	REAL300010946486	0	29	-1.0	-52.94	295.72	4.45	-48.49
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946487	0	27	-1.0	-41.75	278.66	3.37	-38.38
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946488	0	27	-1.0	-40.14	280.18	3.49	-36.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946489	0	32	-1.0	-40.73	297.37	4.49	-36.24
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946490	0	43	-1.0	-39.99	360.99	2.10	-37.89
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)CC1	REAL300010946491	0	32	-1.0	-49.53	302.08	4.18	-45.35
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946492	0	40	-1.0	-46.59	343.73	0.06	-46.53
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946493	0	36	-1.0	-59.29	330.26	-0.32	-59.61
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010946494	0	32	-1.0	-52.18	317.96	0.88	-51.30
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010946495	0	25	-2.0	-131.50	257.89	4.06	-127.44
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010946495	1	26	-1.0	-61.30	264.50	3.61	-57.69
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2CC1	REAL300010946496	0	43	-1.0	-47.57	348.79	4.68	-42.89
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010946497	0	35	-1.0	-43.63	320.62	4.18	-39.45
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300010946498	0	36	-1.0	-44.75	335.15	4.34	-40.41
CCCC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946499	0	35	-1.0	-42.67	318.29	5.39	-37.28
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946500	0	35	-1.0	-43.24	314.08	5.10	-38.14
CNC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946501	0	36	-1.0	-45.31	315.49	1.75	-43.56
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946502	0	40	-1.0	-52.03	356.03	3.66	-48.37
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300010946503	0	39	-1.0	-40.55	336.03	4.30	-36.25
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010946504	0	35	-1.0	-40.04	331.32	4.55	-35.49
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010946504	1	34	-2.0	-123.01	330.18	5.27	-117.74
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010946505	0	28	-1.0	-49.47	283.48	4.40	-45.07
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010946505	1	27	-2.0	-121.91	283.08	5.03	-116.88
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300010946506	0	35	-1.0	-53.36	295.41	-0.10	-53.46
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946507	0	33	-2.0	-125.57	309.23	4.03	-121.54
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300010946508	0	37	-1.0	-48.29	336.81	2.49	-45.80
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010946509	0	38	-1.0	-43.68	339.24	4.82	-38.86
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946510	0	40	-1.0	-50.88	347.15	0.90	-49.98
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946511	0	37	-1.0	-47.82	324.88	2.15	-45.67
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946512	0	39	-1.0	-50.41	346.02	3.81	-46.60
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C	REAL300010946513	0	38	-1.0	-41.93	328.88	4.83	-37.10
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946514	0	38	-1.0	-50.51	333.58	5.15	-45.36
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946515	0	32	-1.0	-55.74	315.06	5.43	-50.31
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946515	1	31	-2.0	-131.84	308.95	5.90	-125.94
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CC1	REAL300010946516	0	29	-1.0	-40.10	282.75	4.66	-35.44
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946517	0	42	-1.0	-57.97	341.28	4.08	-53.89
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300010946518	0	32	-1.0	-56.26	302.45	4.73	-51.53
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946519	0	35	-1.0	-57.90	310.22	4.63	-53.27
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300010946520	0	36	-1.0	-45.29	309.87	6.14	-39.15
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946521	0	40	-1.0	-57.37	361.30	0.54	-56.83
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300010946522	0	29	-1.0	-57.46	280.92	3.99	-53.47
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1C	REAL300010946523	0	38	-1.0	-46.26	338.02	3.93	-42.33
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010946524	0	32	-1.0	-42.56	306.13	0.64	-41.92
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CC1	REAL300010946525	0	30	-1.0	-57.95	289.88	3.62	-54.33
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010946526	0	29	-1.0	-48.11	276.59	2.27	-45.84
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010946526	1	28	-2.0	-137.87	277.25	2.61	-135.26
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946527	0	39	-1.0	-51.25	335.53	3.79	-47.46
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010946528	0	29	-2.0	-104.13	281.62	2.07	-102.06
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)CC1	REAL300010946528	1	30	-1.0	-40.60	289.62	1.15	-39.45
O=C([O-])C1(NS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010946529	0	43	-1.0	-54.13	380.15	3.16	-50.97
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946530	0	27	-1.0	-37.25	287.16	3.55	-33.70
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C=C1Br	REAL300010946530	1	26	-2.0	-118.89	281.51	4.19	-114.70
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946531	0	37	-1.0	-48.97	340.36	1.89	-47.08
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(=O)OC(C)C	REAL300010946532	0	41	-1.0	-42.37	349.12	5.55	-36.82
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946533	0	38	-1.0	-59.81	345.82	1.97	-57.84
COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946534	0	37	-1.0	-51.77	363.14	3.49	-48.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)CC1	REAL300010946535	0	31	-1.0	-41.48	282.12	-0.07	-41.55
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CCCC1	REAL300010946536	0	38	-1.0	-41.45	310.92	3.93	-37.52
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CC1	REAL300010946537	0	25	-1.0	-37.67	266.94	1.89	-35.78
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946538	0	33	-1.0	-39.75	307.54	2.95	-36.80
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946539	0	35	-1.0	-46.56	326.60	5.11	-41.45
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300010946540	0	32	-1.0	-38.86	289.97	4.20	-34.66
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1	REAL300010946541	0	37	-1.0	-51.99	341.46	6.49	-45.50
COC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946542	0	35	-1.0	-50.40	311.72	4.23	-46.17
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300010946543	0	32	-1.0	-42.38	296.67	4.71	-37.67
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1	REAL300010946544	0	26	-1.0	-53.46	275.08	2.97	-50.49
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1I	REAL300010946545	0	29	-1.0	-39.63	280.89	4.31	-35.32
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946546	0	39	-1.0	-43.54	345.60	3.09	-40.45
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946547	0	42	-1.0	-43.49	367.46	4.01	-39.48
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CCCCC1	REAL300010946548	0	41	-1.0	-41.57	321.91	4.38	-37.19
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN=C1C	REAL300010946549	0	34	-1.0	-41.67	301.95	2.03	-39.64
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CC1	REAL300010946550	0	30	-1.0	-40.43	287.96	2.39	-38.04
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946551	0	35	-1.0	-42.31	329.12	4.82	-37.49
O=C([O-])C1(NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010946552	0	42	-1.0	-49.36	367.89	4.60	-44.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CC1	REAL300010946553	0	28	-1.0	-40.08	289.52	2.37	-37.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300010946554	0	35	-1.0	-44.44	300.56	4.32	-40.12
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CC1	REAL300010946555	0	27	-1.0	-48.49	276.07	2.48	-46.01
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)CC1	REAL300010946556	0	32	-1.0	-41.39	291.19	4.34	-37.05
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010946557	0	29	-1.0	-44.87	279.05	1.52	-43.35
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010946557	1	28	-2.0	-125.25	274.15	2.10	-123.15
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946558	0	28	-1.0	-38.42	281.44	4.65	-33.77
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010946558	1	27	-2.0	-123.76	279.19	5.19	-118.57
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010946559	0	35	-1.0	-44.48	319.65	3.99	-40.49
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2N=C1Cl	REAL300010946560	0	34	-1.0	-44.32	312.17	4.11	-40.21
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(C)C)=C1	REAL300010946561	0	53	-1.0	-52.82	401.07	9.39	-43.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CC1	REAL300010946562	0	31	-1.0	-47.76	295.79	3.56	-44.20
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946563	0	38	-1.0	-41.26	335.68	5.06	-36.20
COC(=O)C1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946564	0	31	-1.0	-48.09	278.90	2.14	-45.95
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946565	0	33	-1.0	-41.05	304.29	3.03	-38.02
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)CCC2=C1	REAL300010946566	0	38	-1.0	-55.08	320.76	4.78	-50.30
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010946567	0	29	-1.0	-44.52	280.96	4.54	-39.98
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010946567	1	28	-2.0	-134.62	290.19	5.17	-129.45
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946568	0	40	-1.0	-65.86	350.45	1.48	-64.38
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946568	1	39	-2.0	-111.54	346.82	1.54	-110.00
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)CC1	REAL300010946569	0	29	-1.0	-56.03	291.23	4.11	-51.92
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946570	0	35	-1.0	-49.92	320.05	1.00	-48.92
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C=C1	REAL300010946571	0	35	-1.0	-44.75	302.97	5.65	-39.10
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946572	0	35	-1.0	-60.23	327.43	5.04	-55.19
O=C(COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1)NC1CC1	REAL300010946573	0	41	-1.0	-60.14	363.76	3.31	-56.83
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946574	0	39	-1.0	-59.14	338.30	3.10	-56.04
O=C([O-])C1(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300010946575	0	29	-1.0	-57.77	277.53	4.38	-53.39
O=C([O-])C1(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300010946576	0	32	-1.0	-48.33	290.17	4.81	-43.52
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(CC)=C1	REAL300010946577	0	44	-1.0	-51.77	337.73	8.03	-43.74
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300010946578	0	45	-1.0	-46.27	377.68	3.44	-42.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300010946579	0	33	-1.0	-47.76	291.67	2.47	-45.29
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CC1	REAL300010946580	0	28	-1.0	-40.71	283.84	2.63	-38.08
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946581	0	34	-1.0	-47.24	315.67	2.37	-44.87
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300010946582	0	34	-1.0	-43.99	307.50	1.28	-42.71
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946583	0	31	-1.0	-41.97	289.87	-2.32	-44.29
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CC1)S(C)(=O)=O	REAL300010946584	0	37	-1.0	-53.01	308.50	-0.13	-53.14
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010946585	0	30	-1.0	-40.81	281.15	2.56	-38.25
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CC1	REAL300010946586	0	29	-1.0	-40.83	273.92	0.10	-40.73
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946587	0	39	-1.0	-49.99	334.79	3.80	-46.19
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300010946588	0	35	-1.0	-57.45	311.70	5.71	-51.74
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300010946589	0	30	-1.0	-44.95	285.52	2.54	-42.41
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300010946590	0	30	-1.0	-44.52	295.84	2.99	-41.53
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946591	0	35	-1.0	-43.39	318.09	4.22	-39.17
COC(CC1=CC=CC=C1)CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946592	0	39	-1.0	-60.97	332.12	4.63	-56.34
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)CC1	REAL300010946593	0	29	-1.0	-39.94	294.13	4.56	-35.38
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)CC1	REAL300010946594	0	29	-1.0	-40.58	292.38	4.55	-36.03
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300010946595	0	29	-1.0	-37.99	275.26	1.82	-36.17
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946596	0	34	-1.0	-44.37	298.78	4.56	-39.81
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946597	0	42	-1.0	-47.93	345.59	4.52	-43.41
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946598	0	33	-1.0	-45.07	311.10	5.09	-39.98
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946599	0	29	-1.0	-40.24	278.96	-0.12	-40.36
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946600	0	35	-1.0	-55.55	310.17	4.65	-50.90
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946601	0	35	-1.0	-40.56	329.57	4.37	-36.19
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)=N1	REAL300010946602	0	35	-1.0	-55.07	321.35	4.56	-50.51
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1F	REAL300010946603	0	32	-1.0	-44.45	316.33	3.77	-40.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946603	1	31	-2.0	-132.01	310.68	4.42	-127.59
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946604	0	35	-1.0	-47.72	321.72	3.92	-43.80
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946605	0	32	-1.0	-57.18	290.90	5.04	-52.14
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)CC1	REAL300010946606	0	41	-1.0	-45.39	350.52	0.47	-44.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CC1	REAL300010946607	0	33	-1.0	-45.83	300.78	0.57	-45.26
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)SC(Br)=C1	REAL300010946608	0	26	-1.0	-52.40	260.11	3.52	-48.88
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300010946609	0	35	-1.0	-43.47	297.22	2.72	-40.75
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946610	0	36	-1.0	-45.87	315.43	1.41	-44.46
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Cl)CC1	REAL300010946611	0	32	-1.0	-42.66	293.16	4.62	-38.04
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946612	0	30	-1.0	-42.06	296.42	2.86	-39.20
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CC1)C(=O)NCCC2	REAL300010946613	0	41	-1.0	-52.19	345.56	1.30	-50.89
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)S2)C1	REAL300010946614	0	37	-1.0	-61.57	332.85	3.24	-58.33
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)SC2=CC=C(C#N)C=C12	REAL300010946615	0	33	-1.0	-45.48	307.43	5.08	-40.40
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Br)CC1	REAL300010946616	0	29	-1.0	-40.72	282.06	4.10	-36.62
NC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010946617	0	30	-1.0	-40.11	292.93	-0.00	-40.11
NC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010946617	1	29	-2.0	-119.81	291.78	0.70	-119.11
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300010946618	0	29	-1.0	-41.03	278.85	3.99	-37.04
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CC1	REAL300010946619	0	26	-1.0	-37.52	273.78	3.85	-33.67
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946620	0	51	-1.0	-54.62	422.49	7.68	-46.94
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946621	0	41	-1.0	-57.48	352.01	5.10	-52.38
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(Cl)C=C2Br)CC1	REAL300010946622	0	26	-1.0	-37.21	289.17	4.32	-32.89
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)C=C2Br)CC1	REAL300010946622	1	25	-2.0	-116.41	283.93	4.91	-111.50
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946623	0	36	-1.0	-45.01	334.55	4.51	-40.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300010946624	0	26	-1.0	-39.02	262.55	3.34	-35.68
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946625	0	32	-1.0	-43.98	294.85	3.38	-40.60
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300010946626	0	40	-1.0	-44.92	343.84	5.78	-39.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CC1	REAL300010946627	0	40	-1.0	-44.86	353.01	6.03	-38.83
O=C([O-])C1(NS(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010946628	0	25	-1.0	-59.97	250.57	2.09	-57.88
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010946628	1	24	-2.0	-134.45	246.81	2.16	-132.29
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2)=N1	REAL300010946629	0	38	-1.0	-48.62	333.29	2.47	-46.15
COC(CS(=O)(=O)NC1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300010946630	0	36	-1.0	-40.80	317.07	3.87	-36.93
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)CC1	REAL300010946631	0	38	-1.0	-43.18	319.89	4.13	-39.05
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)N(C)N=C1	REAL300010946632	0	32	-1.0	-57.63	278.34	1.49	-56.14
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300010946633	0	34	-1.0	-41.42	315.96	1.54	-39.88
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C12	REAL300010946634	0	38	-1.0	-49.39	333.97	5.50	-43.89
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946635	0	37	-1.0	-48.36	326.88	2.09	-46.27
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1F	REAL300010946636	0	32	-1.0	-44.42	306.01	3.33	-41.09
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946636	1	31	-2.0	-131.32	300.36	3.97	-127.35
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C(Cl)C=C21	REAL300010946637	0	37	-1.0	-54.15	334.48	4.31	-49.84
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946638	0	39	-1.0	-44.89	325.04	4.35	-40.54
COC(CS(=O)(=O)NC1(C(=O)[O-])CC1)C1CCCCC1	REAL300010946639	0	42	-1.0	-41.11	323.60	4.13	-36.98
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010946640	0	45	-1.0	-42.70	366.99	5.73	-36.97
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC1	REAL300010946641	0	29	-1.0	-67.92	292.79	2.61	-65.31
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300010946642	0	34	-1.0	-43.62	304.99	5.07	-38.55
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300010946643	0	39	-1.0	-41.96	332.99	4.81	-37.15
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)O1	REAL300010946644	0	32	-1.0	-45.24	293.61	2.71	-42.53
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)O1	REAL300010946644	1	31	-2.0	-124.18	292.97	2.63	-121.55
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1CC1CC1	REAL300010946645	0	39	-1.0	-55.30	341.07	4.60	-50.70
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946646	0	32	-1.0	-44.83	307.37	4.82	-40.01
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C1	REAL300010946647	0	37	-1.0	-46.11	319.11	3.19	-42.92
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946648	0	29	-1.0	-40.65	276.21	1.48	-39.17
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CC1	REAL300010946649	0	37	-1.0	-46.52	340.72	6.97	-39.55
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946650	0	29	-1.0	-41.65	283.61	4.16	-37.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300010946651	0	36	-1.0	-51.05	306.94	5.98	-45.07
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010946652	0	46	-1.0	-55.96	395.20	7.55	-48.41
CC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946653	0	32	-1.0	-57.38	296.81	5.12	-52.26
COC1=CC=CC(Br)=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946654	0	33	-1.0	-47.55	303.88	3.40	-44.15
O=C([O-])C1(NS(=O)(=O)CCC2=C(F)C=CC=C2F)CC1	REAL300010946655	0	32	-1.0	-43.85	290.68	4.28	-39.57
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010946656	0	25	-1.0	-57.18	250.40	1.37	-55.81
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CC1	REAL300010946656	1	24	-2.0	-123.88	257.50	1.90	-121.98
CC(C)OC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946657	0	35	-1.0	-42.63	304.81	1.92	-40.71
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OCC(F)F)CC1	REAL300010946658	0	32	-1.0	-49.64	301.97	0.82	-48.82
O=C([O-])C1(NS(=O)(=O)C2=CC(NC(=O)C(F)(F)F)=CC=C2)CC1	REAL300010946659	0	33	-1.0	-39.85	315.68	2.18	-37.67
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C)C=C1OC	REAL300010946660	0	39	-1.0	-45.26	326.42	4.15	-41.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CC1	REAL300010946661	0	32	-1.0	-38.34	308.89	4.67	-33.67
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946662	0	34	-1.0	-61.37	312.61	3.74	-57.63
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946663	0	29	-1.0	-41.02	292.73	4.57	-36.45
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC(Br)=C2)CC1	REAL300010946664	0	26	-1.0	-37.39	278.95	3.95	-33.44
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300010946665	0	35	-1.0	-59.86	290.25	5.70	-54.16
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)CC1	REAL300010946666	0	33	-1.0	-41.43	312.82	2.58	-38.85
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2NC1=O	REAL300010946667	0	35	-1.0	-42.62	306.75	2.46	-40.16
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)S1	REAL300010946668	0	35	-1.0	-48.23	317.99	4.39	-43.84
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(F)C=C1[N+](=O)[O-]	REAL300010946669	0	31	-1.0	-37.01	289.33	3.84	-33.17
O=C([O-])C1(NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)CC1	REAL300010946670	0	32	-1.0	-58.56	291.67	4.48	-54.08
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946671	0	43	0.0	-77.66	341.09	1.80	-75.86
CN1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CC2)CC1	REAL300010946671	1	42	-1.0	-58.69	338.20	-0.57	-59.26
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1Br	REAL300010946672	0	26	-1.0	-42.67	264.10	0.62	-42.05
O=C([O-])C1(NS(=O)(=O)C2=CSN=C2C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300010946673	0	35	-1.0	-56.52	330.72	5.50	-51.02
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1I	REAL300010946674	0	26	-1.0	-42.07	269.18	1.03	-41.04
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300010946675	0	35	-1.0	-42.57	304.89	1.20	-41.37
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=N1	REAL300010946676	0	38	-1.0	-45.29	328.86	3.29	-42.00
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(OC)C=C1F	REAL300010946677	0	36	-1.0	-45.75	328.67	2.91	-42.84
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946678	0	36	-1.0	-49.51	315.43	3.50	-46.01
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010946679	0	42	-1.0	-43.01	345.49	4.93	-38.08
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946680	0	38	-1.0	-40.58	313.76	4.93	-35.65
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2Cl)CC1	REAL300010946681	0	29	-1.0	-40.00	279.23	4.02	-35.98
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CC1	REAL300010946682	0	45	-1.0	-41.49	360.85	7.28	-34.21
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946683	0	31	-1.0	-55.23	301.36	2.84	-52.39
O=C([O-])C1(NS(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010946684	0	23	-1.0	-44.80	235.31	0.82	-43.98
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CC1	REAL300010946684	1	22	-2.0	-130.78	234.90	1.21	-129.57
O=C([O-])C1(NS(=O)(=O)CCC2=NOC3=CC=CC=C32)CC1	REAL300010946685	0	34	-1.0	-63.33	309.07	3.57	-59.76
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010946686	0	25	-1.0	-39.85	265.78	1.78	-38.07
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CC1	REAL300010946686	1	24	-2.0	-119.74	260.58	2.44	-117.30
COC1=NC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946687	0	29	-1.0	-43.20	288.82	0.41	-42.79
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)CC1	REAL300010946688	0	31	-1.0	-44.54	291.22	3.55	-40.99
O=C([O-])C1(NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)CC1	REAL300010946689	0	28	-1.0	-39.52	275.42	2.58	-36.94
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)CC1	REAL300010946690	0	36	-1.0	-45.84	333.27	3.30	-42.54
CC1(CS(=O)(=O)NC2(C(=O)[O-])CC2)CC1(Cl)Cl	REAL300010946691	0	29	-1.0	-38.98	276.98	3.59	-35.39
O=C([O-])C1(NS(=O)(=O)CC2=C(Br)SC=N2)CC1	REAL300010946692	0	25	-1.0	-45.56	266.51	0.98	-44.58
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)CC1	REAL300010946693	0	28	-1.0	-42.55	289.84	2.82	-39.73
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C([N+](=O)[O-])S1	REAL300010946694	0	28	-1.0	-41.75	270.43	3.73	-38.02
CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(C(=O)[O-])CC2)C1	REAL300010946695	0	37	-1.0	-47.86	321.23	-0.65	-48.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)CC1	REAL300010946696	0	27	-1.0	-49.76	287.59	1.89	-47.87
COC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946697	0	35	-1.0	-41.49	313.81	4.14	-37.35
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CC1	REAL300010946698	0	28	-2.0	-131.96	284.21	4.32	-127.64
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CC1	REAL300010946698	1	29	-1.0	-46.62	283.79	4.41	-42.21
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010946699	0	29	-1.0	-53.25	276.15	1.89	-51.36
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300010946699	1	28	-2.0	-122.77	269.87	1.90	-120.87
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2Br)CC1	REAL300010946700	0	23	-1.0	-39.19	250.33	2.18	-37.01
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300010946701	0	38	-1.0	-60.22	307.20	3.45	-56.77
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946702	0	29	-1.0	-45.24	274.59	1.67	-43.57
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946703	0	44	-1.0	-50.66	386.57	4.56	-46.10
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=N1	REAL300010946704	0	26	-1.0	-44.65	266.10	0.67	-43.98
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300010946705	0	28	-1.0	-41.37	271.60	1.90	-39.47
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946706	0	33	-1.0	-44.53	293.58	2.91	-41.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)CC1	REAL300010946707	0	40	-1.0	-49.06	341.70	3.92	-45.14
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946708	0	29	-1.0	-41.01	292.74	4.57	-36.44
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946709	0	31	-1.0	-47.46	281.33	3.17	-44.29
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010946710	0	48	-1.0	-42.29	388.64	6.56	-35.73
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)CC1	REAL300010946711	0	29	-1.0	-37.99	272.28	3.61	-34.38
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCCC(=O)NC3=C2)CC1	REAL300010946712	0	37	-1.0	-46.58	329.57	3.29	-43.29
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300010946713	0	30	-1.0	-44.95	290.41	4.39	-40.56
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)(C)C	REAL300010946714	0	48	-1.0	-43.48	379.75	6.42	-37.06
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1CC	REAL300010946715	0	42	-1.0	-42.33	350.24	5.24	-37.09
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946716	0	32	-1.0	-38.85	278.53	4.42	-34.43
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946717	0	37	-1.0	-45.37	340.93	2.84	-42.53
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946718	0	40	-1.0	-49.97	343.46	2.03	-47.94
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2Br)CC1	REAL300010946719	0	29	-1.0	-42.56	290.54	4.48	-38.08
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2Br)CC1	REAL300010946720	0	29	-1.0	-43.23	281.42	4.08	-39.15
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300010946721	0	36	-1.0	-44.59	317.37	4.68	-39.91
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946722	0	32	-1.0	-39.18	294.98	4.77	-34.41
COC1=CC=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1F	REAL300010946723	0	30	-1.0	-54.83	280.98	2.59	-52.24
COC1=CC=C(Br)C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1F	REAL300010946723	1	29	-2.0	-137.27	284.48	3.45	-133.82
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946724	0	36	-1.0	-39.50	309.81	5.08	-34.42
CCOC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)N(C)N=C1	REAL300010946725	0	35	-1.0	-58.00	298.65	2.37	-55.63
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300010946726	0	30	-1.0	-56.94	289.30	4.41	-52.53
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(=O)OC	REAL300010946727	0	38	-1.0	-49.19	341.75	4.38	-44.81
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946728	0	39	-1.0	-48.14	341.92	3.37	-44.77
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2CCCC3)CC1	REAL300010946729	0	35	-1.0	-46.14	295.66	3.49	-42.65
COC(=O)C1=CC=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946730	0	31	-1.0	-47.03	286.78	1.42	-45.61
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946731	0	42	-1.0	-56.71	352.80	5.42	-51.29
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946732	0	46	-1.0	-54.40	362.05	5.14	-49.26
COC(=O)C1=CN(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946733	0	33	-1.0	-50.72	299.43	2.88	-47.84
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946734	0	40	-1.0	-42.65	331.10	2.75	-39.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCN(C(=O)C4CC4)C3=C2)CC1	REAL300010946735	0	41	-1.0	-57.87	346.77	5.37	-52.50
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946736	0	40	-1.0	-55.14	336.57	4.66	-50.48
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300010946737	0	41	-1.0	-52.60	364.91	6.98	-45.62
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010946738	0	38	-1.0	-47.51	333.69	5.52	-41.99
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946739	0	39	-1.0	-51.25	346.46	3.75	-47.50
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946740	0	36	-1.0	-47.91	316.05	3.51	-44.40
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=NN2C1	REAL300010946741	0	37	-1.0	-57.35	303.00	1.61	-55.74
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300010946742	0	32	-1.0	-55.29	309.43	3.70	-51.59
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)COC3=C2)CC1	REAL300010946743	0	32	-1.0	-42.19	286.26	-0.08	-42.27
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010946744	0	22	-2.0	-124.27	236.20	1.94	-122.33
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=CO2)CC1	REAL300010946744	1	23	-1.0	-55.14	242.45	2.02	-53.12
COC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946745	0	30	-1.0	-51.07	288.05	2.31	-48.76
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300010946746	0	30	-1.0	-43.38	282.36	2.01	-41.37
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010946747	0	51	-1.0	-42.47	409.99	7.30	-35.17
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946748	0	42	-1.0	-46.38	342.54	4.59	-41.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946749	0	36	-1.0	-45.97	316.20	3.73	-42.24
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010946750	0	49	-1.0	-46.41	400.97	5.15	-41.26
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946751	0	34	-1.0	-53.32	311.22	2.45	-50.87
N#CC1(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)CC1	REAL300010946752	0	34	-1.0	-42.22	307.51	4.77	-37.45
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946753	0	30	-1.0	-57.24	281.71	3.45	-53.79
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946753	1	29	-2.0	-132.55	272.00	3.88	-128.67
CC1=C(Br)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C)S1	REAL300010946754	0	29	-1.0	-54.33	286.52	4.07	-50.26
CC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010946755	0	29	-1.0	-40.89	278.99	4.61	-36.28
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=N1	REAL300010946756	0	31	-1.0	-45.69	286.57	1.54	-44.15
COC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1Br	REAL300010946757	0	32	-1.0	-45.11	306.93	3.86	-41.25
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946758	0	43	-1.0	-59.65	350.04	4.91	-54.74
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CC1	REAL300010946759	0	32	-1.0	-57.36	289.52	3.18	-54.18
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300010946760	0	40	-1.0	-55.13	335.83	4.35	-50.78
CN1N=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946761	0	26	-1.0	-40.23	251.50	0.65	-39.58
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(C(F)(F)F)=C2)CC1	REAL300010946762	0	28	-1.0	-38.66	269.88	1.91	-36.75
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CC1	REAL300010946763	0	30	-1.0	-43.70	295.46	3.10	-40.60
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Cl)C=C23)CC1	REAL300010946764	0	29	-1.0	-68.55	288.23	2.51	-66.04
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1F	REAL300010946765	0	35	-1.0	-50.28	292.84	4.96	-45.32
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300010946766	0	34	-1.0	-46.25	292.69	2.31	-43.94
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCNC(=O)C3=C2)CC1	REAL300010946767	0	35	-1.0	-54.64	303.98	-0.06	-54.70
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946768	0	27	-1.0	-39.07	276.12	3.59	-35.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CCCNC(=O)C(F)(F)F)C=C2)CC1	REAL300010946769	0	42	-1.0	-60.92	386.51	3.72	-57.20
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C2)CC1	REAL300010946769	1	41	-2.0	-95.25	383.53	2.14	-93.11
COC1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300010946770	0	34	-1.0	-61.10	304.70	3.12	-57.98
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946771	0	28	-2.0	-117.55	294.17	2.63	-114.92
COC(=O)C1=C(Br)OC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946771	1	29	-1.0	-42.52	294.80	2.62	-39.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)S2)CC1	REAL300010946772	0	23	-1.0	-53.56	262.72	2.96	-50.60
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300010946773	0	39	-1.0	-46.29	330.24	3.47	-42.82
N#CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C2S1	REAL300010946774	0	30	-1.0	-61.89	288.13	4.61	-57.28
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946775	0	28	-2.0	-101.95	262.00	3.62	-98.33
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300010946776	0	30	-1.0	-46.92	278.51	2.14	-44.78
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=C(Br)C=C23)CC1	REAL300010946777	0	30	-1.0	-45.19	295.66	3.11	-42.08
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010946778	0	29	-1.0	-59.27	271.62	1.96	-57.31
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)CC1	REAL300010946778	1	28	-2.0	-138.85	264.98	2.28	-136.57
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300010946779	0	26	-2.0	-104.79	280.13	2.00	-102.79
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300010946780	0	32	-1.0	-42.81	294.70	4.55	-38.26
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CC1	REAL300010946781	0	32	-1.0	-39.40	306.10	3.66	-35.74
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946782	0	44	-1.0	-46.38	355.06	6.51	-39.87
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC1	REAL300010946783	0	32	-1.0	-39.63	307.12	4.58	-35.05
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CC1	REAL300010946784	0	37	-1.0	-45.25	340.17	5.18	-40.07
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946785	0	39	-1.0	-61.28	331.96	1.16	-60.12
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300010946786	0	35	-1.0	-67.56	307.58	3.95	-63.61
COC(=O)C1=NN(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946787	0	32	-1.0	-46.47	286.00	0.91	-45.56
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300010946788	0	30	-1.0	-36.82	292.20	4.06	-32.76
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C=C1	REAL300010946789	0	38	-1.0	-44.53	336.36	5.61	-38.92
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)CC(F)(F)F)=C2)CC1	REAL300010946790	0	35	-1.0	-37.86	324.68	5.29	-32.57
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300010946791	0	31	-1.0	-41.40	286.53	2.46	-38.94
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300010946792	0	29	-1.0	-37.50	281.21	3.81	-33.69
O=C([O-])C1(NS(=O)(=O)C2=C(C(F)(F)F)SC=C2)CC1	REAL300010946793	0	26	-1.0	-52.67	263.84	3.68	-48.99
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=C2)CC1	REAL300010946794	0	26	-1.0	-36.83	267.59	2.85	-33.98
CC(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946795	0	36	-1.0	-45.55	319.89	1.81	-43.74
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946796	0	23	-1.0	-41.70	240.57	2.00	-39.70
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010946796	1	22	-2.0	-123.28	239.92	1.98	-121.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(Cl)=C2)CC1	REAL300010946797	0	29	-1.0	-36.94	287.44	4.09	-32.85
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946798	0	37	-1.0	-49.07	320.20	4.75	-44.32
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300010946799	0	37	-1.0	-59.65	311.61	5.85	-53.80
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946800	0	36	-1.0	-44.62	315.92	4.41	-40.21
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CC1	REAL300010946801	0	32	-1.0	-42.12	300.34	3.57	-38.55
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946802	0	31	-1.0	-43.83	299.90	2.89	-40.94
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300010946803	0	33	-1.0	-46.63	286.57	1.14	-45.49
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946804	0	36	-1.0	-53.46	338.35	3.52	-49.94
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC=C2Cl)CC1	REAL300010946805	0	26	-1.0	-40.10	275.17	3.81	-36.29
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300010946806	0	26	-1.0	-39.59	255.95	2.87	-36.72
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2C(F)(F)F)CC1	REAL300010946807	0	29	-1.0	-40.57	272.39	4.20	-36.37
COC(=O)C1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946808	0	32	-1.0	-52.50	307.41	3.11	-49.39
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Br)C=NC=C3S2)CC1	REAL300010946809	0	28	-1.0	-51.30	296.76	3.01	-48.29
CNC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946810	0	35	-1.0	-66.84	313.07	0.29	-66.55
CS(=O)(=O)C1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946811	0	29	-1.0	-62.96	296.46	-0.74	-63.70
CNC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946812	0	35	-1.0	-66.84	313.07	0.29	-66.55
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COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946814	0	38	-1.0	-50.77	328.40	6.25	-44.52
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946815	0	30	-1.0	-42.48	282.13	2.34	-40.14
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300010946816	0	40	-1.0	-45.44	337.43	1.65	-43.79
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946817	0	32	-1.0	-39.48	288.88	4.24	-35.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300010946818	0	30	-1.0	-44.53	274.87	2.30	-42.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C(Cl)=C2)CC1	REAL300010946819	0	33	-1.0	-38.51	324.36	2.65	-35.86
O=C([O-])C1(NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300010946820	0	41	-1.0	-39.97	331.28	5.76	-34.21
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300010946821	0	37	-1.0	-53.08	313.05	4.93	-48.15
O=C([O-])C1(NS(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300010946822	0	34	-1.0	-37.19	291.26	3.21	-33.98
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946823	0	35	-1.0	-45.63	320.75	4.80	-40.83
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300010946824	0	29	-1.0	-55.88	301.67	4.79	-51.09
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946825	0	36	-1.0	-43.78	311.14	3.65	-40.13
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300010946826	0	39	-1.0	-45.24	322.46	3.60	-41.64
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)CC1	REAL300010946827	0	29	-1.0	-44.21	284.51	4.67	-39.54
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)CC1	REAL300010946827	1	28	-2.0	-133.15	294.22	5.26	-127.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300010946828	0	37	-1.0	-45.17	330.33	5.44	-39.73
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946829	0	38	-1.0	-48.67	321.71	5.43	-43.24
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(C)=C1Br	REAL300010946830	0	32	-1.0	-53.27	299.88	4.50	-48.77
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CC1	REAL300010946831	0	31	-1.0	-55.97	298.28	4.02	-51.95
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)CC1	REAL300010946831	1	30	-2.0	-128.44	298.30	4.72	-123.72
O=C([O-])C1(NS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CC1	REAL300010946832	0	32	-1.0	-41.67	307.62	3.94	-37.73
O=C([O-])C1([N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)CC1	REAL300010946832	1	31	-2.0	-127.74	313.00	4.55	-123.19
N#CC1(OCCS(=O)(=O)NC2(C(=O)[O-])CC2)CCOCC1	REAL300010946833	0	38	-1.0	-42.83	319.34	0.47	-42.36
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Br)CC1	REAL300010946834	0	30	-1.0	-56.72	293.31	4.50	-52.22
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC1(C(=O)[O-])CC1)=C2	REAL300010946835	0	32	-1.0	-54.02	327.47	4.00	-50.02
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)CC1	REAL300010946836	0	25	-2.0	-128.64	265.35	4.12	-124.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946837	0	28	-1.0	-57.04	269.38	1.97	-55.07
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946837	1	27	-2.0	-121.80	276.54	2.51	-119.29
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC3=CN=C(Cl)C=C32)CC1	REAL300010946838	0	31	-1.0	-62.37	296.16	4.52	-57.85
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=C(Cl)C=C32)CC1	REAL300010946839	0	31	-1.0	-46.08	293.84	3.58	-42.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946840	0	28	-1.0	-57.04	269.38	1.97	-55.07
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)CC1	REAL300010946840	1	27	-2.0	-121.80	276.54	2.51	-119.29
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)CC1	REAL300010946841	0	29	-1.0	-55.88	301.67	4.79	-51.09
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300010946842	0	35	-1.0	-49.17	299.36	5.46	-43.71
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946843	0	30	-1.0	-55.61	293.96	3.73	-51.88
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946843	1	29	-2.0	-137.49	287.37	4.03	-133.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCCF)C=C2)CC1	REAL300010946844	0	33	-1.0	-44.00	297.19	2.94	-41.06
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946845	0	40	-1.0	-42.22	339.87	4.21	-38.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010946846	0	26	-1.0	-38.00	264.26	3.14	-34.86
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)CC1	REAL300010946846	1	25	-2.0	-121.50	263.08	3.84	-117.66
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)O1	REAL300010946847	0	32	-1.0	-56.40	299.82	-0.42	-56.82
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300010946848	0	36	-1.0	-56.96	317.64	4.63	-52.33
O=C([O-])C1(NS(=O)(=O)C2=CC=C(NC(=O)C(F)(F)F)C=N2)CC1	REAL300010946849	0	32	-1.0	-42.87	307.79	0.28	-42.59
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CC1	REAL300010946850	0	30	-1.0	-44.80	294.97	4.48	-40.32
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CC1	REAL300010946851	0	30	-1.0	-55.81	296.35	4.61	-51.20
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010946852	0	35	-1.0	-62.91	313.47	2.81	-60.10
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300010946852	1	34	-2.0	-139.96	308.93	2.45	-137.51
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300010946853	0	43	-1.0	-40.89	312.26	5.63	-35.26
CCOC(=O)C1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C2C=CC=CN21	REAL300010946854	0	38	-1.0	-56.01	336.99	4.55	-51.46
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300010946855	0	30	-1.0	-67.58	288.44	1.76	-65.82
COC(=O)C1=CN2C=NC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2C=C1	REAL300010946856	0	35	-1.0	-63.17	320.52	5.55	-57.62
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300010946857	0	36	-1.0	-41.46	321.44	5.72	-35.74
COC(=O)C1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946858	0	37	-1.0	-58.75	310.33	3.61	-55.14
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300010946859	0	48	-1.0	-44.10	365.38	6.90	-37.20
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010946860	0	29	-1.0	-38.44	281.07	3.52	-34.92
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946861	0	37	-1.0	-57.07	312.70	4.04	-53.03
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=NN1	REAL300010946862	0	32	-1.0	-43.76	296.46	0.61	-43.15
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946862	1	31	-2.0	-107.84	292.90	0.31	-107.53
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=N[N-]1	REAL300010946862	1	31	-2.0	-107.78	293.11	0.32	-107.46
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1OC	REAL300010946863	0	31	-1.0	-56.64	296.37	1.44	-55.20
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)=C1	REAL300010946864	0	28	-2.0	-116.80	290.10	2.53	-114.27
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946864	1	29	-1.0	-42.46	290.73	2.51	-39.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946865	0	30	-1.0	-56.91	293.73	3.96	-52.95
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946865	1	29	-2.0	-130.47	286.15	4.23	-126.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CC1	REAL300010946866	0	30	-1.0	-50.47	291.35	3.35	-47.12
COC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300010946867	0	30	-1.0	-59.05	280.13	2.33	-56.72
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)C(F)=C1	REAL300010946867	1	29	-2.0	-133.77	273.53	2.80	-130.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300010946868	0	30	-1.0	-44.34	281.18	2.36	-41.98
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2C(F)(F)F)CC1	REAL300010946869	0	29	-1.0	-52.14	272.70	4.70	-47.44
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300010946870	0	35	-1.0	-40.97	314.55	3.21	-37.76
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010946871	0	23	-1.0	-49.17	267.56	2.86	-46.31
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)CC1	REAL300010946871	1	22	-2.0	-116.74	260.62	3.34	-113.40
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946872	0	39	-1.0	-51.92	332.51	5.06	-46.86
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC2=C1N(C)C(=O)C2(C)C	REAL300010946873	0	43	-1.0	-42.33	354.18	4.62	-37.71
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)N=C3C=C(Cl)C=CN32)CC1	REAL300010946874	0	29	-1.0	-53.48	297.79	4.13	-49.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(=O)C(F)F)C=C2)CC1	REAL300010946875	0	31	-1.0	-44.56	289.77	3.45	-41.11
O=C([O-])C1(NS(=O)(=O)C2=C(I)C=CS2)CC1	REAL300010946876	0	23	-1.0	-53.17	244.26	3.21	-49.96
O=C([O-])C1([N-]S(=O)(=O)C2=C(I)C=CS2)CC1	REAL300010946876	1	22	-2.0	-121.78	249.55	3.44	-118.34
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300010946877	0	37	-1.0	-47.94	329.50	5.74	-42.20
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946878	0	32	-1.0	-46.59	278.87	4.60	-41.99
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C(F)(F)C3=C2)CC1	REAL300010946879	0	31	-1.0	-45.92	295.65	1.16	-44.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CC1	REAL300010946880	0	27	-1.0	-55.35	268.37	2.30	-53.05
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946881	0	37	-1.0	-45.21	319.29	4.33	-40.88
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300010946882	0	30	-1.0	-65.16	281.38	2.54	-62.62
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300010946883	0	32	-1.0	-41.48	298.31	5.49	-35.99
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CC1	REAL300010946884	0	36	-1.0	-42.39	327.01	6.66	-35.73
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C(Cl)S1	REAL300010946885	0	29	-1.0	-42.79	297.41	3.65	-39.14
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946886	0	32	-1.0	-39.69	294.64	4.59	-35.10
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946887	0	39	-1.0	-41.86	317.58	3.63	-38.23
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946888	0	40	-1.0	-48.07	346.38	2.93	-45.14
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300010946889	0	32	-1.0	-46.04	299.72	5.45	-40.59
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946890	0	34	-1.0	-49.49	289.89	0.63	-48.86
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)CC1	REAL300010946891	0	32	-1.0	-43.93	300.94	2.54	-41.39
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946892	0	40	-1.0	-66.49	349.69	3.38	-63.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300010946893	0	41	-1.0	-56.60	343.82	3.12	-53.48
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946894	0	29	-1.0	-43.28	284.24	0.30	-42.98
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300010946895	0	25	-1.0	-45.27	269.59	0.68	-44.59
O=C([O-])C1(NS(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300010946896	0	36	-1.0	-43.84	291.48	0.46	-43.38
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC1	REAL300010946897	0	29	-1.0	-67.92	292.79	2.61	-65.31
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010946898	0	23	-2.0	-127.81	248.55	1.06	-126.75
O=C([O-])C1(NS(=O)(=O)C2=NC=C(Br)C=N2)CC1	REAL300010946898	1	24	-1.0	-42.12	245.49	1.28	-40.84
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946899	0	30	-1.0	-68.33	290.97	0.80	-67.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)S2)CC1	REAL300010946900	0	23	-1.0	-53.56	262.72	2.96	-50.60
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946901	0	30	-1.0	-44.65	290.75	2.84	-41.81
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300010946902	0	28	-1.0	-41.24	271.00	1.92	-39.32
COC1=NC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1Cl	REAL300010946903	0	29	-1.0	-43.00	280.91	-0.10	-43.10
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946904	0	35	-1.0	-47.27	315.10	1.58	-45.69
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300010946904	1	34	-2.0	-100.81	311.14	0.35	-100.46
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946905	0	33	-1.0	-53.99	303.51	0.41	-53.58
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2Cl)CC1	REAL300010946906	0	30	-1.0	-39.27	299.82	4.91	-34.36
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300010946907	0	31	-1.0	-41.16	294.22	4.80	-36.36
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010946908	0	24	-2.0	-133.75	256.43	2.11	-131.64
O=C([O-])C1(NS(=O)(=O)C2=NC=CC(Br)=C2F)CC1	REAL300010946908	1	25	-1.0	-41.63	254.04	2.32	-39.31
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300010946909	0	34	-1.0	-48.21	296.89	3.87	-44.34
COC(=O)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300010946910	0	34	-1.0	-43.87	307.08	2.26	-41.61
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946911	0	29	-1.0	-43.52	283.04	4.76	-38.76
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300010946912	0	33	-1.0	-45.39	285.62	3.46	-41.93
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3(F)F)=C2)CC1	REAL300010946913	0	33	-1.0	-41.08	300.19	5.07	-36.01
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=C1NCCC2	REAL300010946914	0	38	-1.0	-46.88	304.89	3.32	-43.56
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300010946915	0	40	-1.0	-54.74	352.45	6.37	-48.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3(F)F)C=C2)CC1	REAL300010946916	0	33	-1.0	-41.83	299.18	5.03	-36.80
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2Br)CC1	REAL300010946917	0	23	-1.0	-39.19	250.33	2.18	-37.01
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Cl)=CC=C23)CC1	REAL300010946918	0	30	-1.0	-43.66	290.92	3.00	-40.66
CC1=CC(Br)=NC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946919	0	28	-1.0	-42.90	274.93	2.11	-40.79
CC1=CC=C(I)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946920	0	29	-1.0	-42.38	284.38	4.60	-37.78
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946921	0	35	-1.0	-48.72	299.88	4.51	-44.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300010946922	0	37	-1.0	-45.51	319.89	6.83	-38.68
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)F)=CC=C2F)CC1	REAL300010946923	0	29	-1.0	-57.61	265.74	3.93	-53.68
O=C([O-])C1(NS(=O)(=O)C2=CN=CC(Br)=C2)CC1	REAL300010946924	0	25	-1.0	-38.68	252.08	1.53	-37.15
O=C([O-])C1(NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010946925	0	28	-1.0	-53.38	256.35	2.46	-50.92
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300010946925	1	27	-2.0	-135.31	258.54	2.70	-132.61
O=C([O-])C1(NS(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300010946926	0	29	-1.0	-53.82	272.11	2.42	-51.40
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946927	0	34	-1.0	-49.13	290.28	-1.45	-50.58
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300010946928	0	28	-1.0	-45.13	270.05	2.66	-42.47
O=C([O-])C1([N-]S(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010946929	0	24	-2.0	-126.04	264.85	2.55	-123.49
O=C([O-])C1(NS(=O)(=O)C2=NC=C(Cl)C=C2Br)CC1	REAL300010946929	1	25	-1.0	-55.65	270.26	2.82	-52.83
O=C([O-])C1(NS(=O)(=O)C2=NN(C3CC3(F)F)C=C2)CC1	REAL300010946930	0	30	-1.0	-50.32	284.08	2.07	-48.25
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Cl)C=C2)CC1	REAL300010946931	0	30	-1.0	-55.92	291.78	4.51	-51.41
CP(C)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946932	0	35	-1.0	-49.83	315.78	2.28	-47.55
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2(F)F)CC1	REAL300010946933	0	33	-1.0	-47.18	295.34	4.89	-42.29
COC1=CC=C(I)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946934	0	30	-1.0	-43.23	291.31	3.16	-40.07
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(Cl)=C1Cl	REAL300010946935	0	29	-1.0	-41.94	287.82	4.24	-37.70
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2F)CC1	REAL300010946936	0	30	-1.0	-55.98	279.54	2.85	-53.13
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300010946937	0	49	-1.0	-43.22	409.17	8.00	-35.22
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300010946938	0	33	-1.0	-45.31	291.00	3.36	-41.95
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(=O)OC	REAL300010946939	0	39	-1.0	-46.26	339.48	4.30	-41.96
COC(=O)C1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C1	REAL300010946940	0	39	-1.0	-47.87	334.93	5.25	-42.62
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946941	0	32	-1.0	-42.86	306.37	0.77	-42.09
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946942	0	32	-1.0	-41.10	307.14	4.59	-36.51
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946942	1	31	-2.0	-128.76	303.28	5.09	-123.67
COC(=O)C1=CC=NC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946943	0	31	-1.0	-46.21	280.66	2.27	-43.94
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300010946944	0	32	-1.0	-51.30	295.50	4.37	-46.93
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CC1	REAL300010946944	1	31	-2.0	-148.65	284.87	4.88	-143.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2I)CC1	REAL300010946945	0	26	-1.0	-40.80	261.91	3.86	-36.94
COC1=CC=C(I)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946946	0	30	-1.0	-43.23	291.31	3.16	-40.07
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C=C1	REAL300010946947	0	37	-1.0	-43.22	332.26	3.71	-39.51
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300010946948	0	34	-1.0	-52.88	299.02	3.66	-49.22
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010946949	0	21	-2.0	-118.05	242.97	1.51	-116.54
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C=NS2)CC1	REAL300010946949	1	22	-1.0	-49.69	234.82	1.47	-48.22
NC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946950	0	28	-1.0	-40.44	272.12	1.23	-39.21
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)CC1	REAL300010946951	0	33	-1.0	-43.06	312.81	3.49	-39.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300010946952	0	39	-1.0	-47.98	331.21	4.32	-43.66
O=C([O-])C1(NS(=O)(=O)C2=C([O-])C=CC=C2OC(F)(F)F)CC1	REAL300010946953	0	30	-2.0	-121.51	290.56	2.71	-118.80
O=C([O-])C1(NS(=O)(=O)C2=C(O)C=CC=C2OC(F)(F)F)CC1	REAL300010946953	1	31	-1.0	-60.81	294.14	1.72	-59.09
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2C=C1	REAL300010946954	0	34	-1.0	-55.15	310.90	5.88	-49.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300010946955	0	28	-1.0	-52.08	272.20	3.53	-48.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300010946956	0	28	-1.0	-54.69	268.03	3.69	-51.00
COC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010946957	0	34	-1.0	-62.05	295.42	4.42	-57.63
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010946958	0	37	-1.0	-52.14	327.54	4.50	-47.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Cl	REAL300010946959	0	28	-1.0	-42.42	274.35	3.76	-38.66
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010946960	0	34	-1.0	-57.76	306.43	3.66	-54.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300010946961	0	44	-1.0	-55.93	379.27	0.48	-55.45
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010946962	0	45	-1.0	-55.00	387.67	2.63	-52.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300010946963	0	39	-1.0	-55.43	346.47	0.91	-54.52
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010946964	0	38	-1.0	-57.12	333.09	1.94	-55.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1Cl	REAL300010946965	0	30	-1.0	-39.29	287.25	3.98	-35.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC=C1Cl	REAL300010946966	0	28	-1.0	-55.59	271.09	4.12	-51.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1Cl	REAL300010946967	0	28	-1.0	-39.36	280.32	3.92	-35.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010946968	0	28	-1.0	-49.72	292.28	4.72	-45.00
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Br)C=C1Cl	REAL300010946968	1	27	-2.0	-111.70	293.05	4.71	-106.99
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010946969	0	32	-1.0	-53.73	300.81	2.88	-50.85
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010946970	0	39	-1.0	-59.65	323.82	1.66	-57.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300010946971	0	28	-1.0	-49.30	284.37	3.94	-45.36
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300010946972	0	34	-1.0	-48.73	328.71	4.93	-43.80
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(C(=O)OC)=C1	REAL300010946973	0	40	-1.0	-56.69	360.42	4.20	-52.49
COC(=O)C1=CC=C(C(=O)OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010946974	0	40	-1.0	-64.93	350.11	5.07	-59.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300010946975	0	31	-1.0	-51.00	291.98	4.95	-46.05
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300010946976	0	31	-1.0	-50.84	290.37	4.09	-46.75
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1NC(C)=O	REAL300010946977	0	39	-1.0	-65.96	335.82	1.22	-64.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300010946978	0	32	-1.0	-50.77	296.89	2.70	-48.07
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1C	REAL300010946979	0	43	-1.0	-54.04	326.20	6.05	-47.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300010946980	0	37	-1.0	-54.34	313.70	2.85	-51.49
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010946981	0	33	-1.0	-53.46	295.14	4.11	-49.35
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)S1	REAL300010946982	0	25	-1.0	-51.03	264.34	2.65	-48.38
CC1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1Cl	REAL300010946983	0	34	-1.0	-51.41	307.21	5.30	-46.11
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010946984	0	32	-1.0	-56.23	288.77	3.41	-52.82
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010946985	0	46	-1.0	-51.95	354.12	6.74	-45.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300010946986	0	44	-1.0	-53.24	352.74	6.72	-46.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300010946987	0	31	-1.0	-50.42	289.64	3.91	-46.51
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010946988	0	36	-1.0	-59.47	296.93	2.07	-57.40
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010946989	0	36	-1.0	-54.47	309.63	2.11	-52.36
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)NCC(F)(F)F)C=C1	REAL300010946990	0	38	-1.0	-54.30	348.15	2.50	-51.80
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010946991	0	35	-1.0	-57.12	325.37	1.10	-56.02
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010946992	0	38	-1.0	-68.51	322.65	2.63	-65.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010946993	0	25	-1.0	-36.45	268.64	2.96	-33.49
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)SC(Cl)=C1	REAL300010946993	1	24	-2.0	-111.03	270.97	2.95	-108.08
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010946994	0	43	-1.0	-53.68	354.34	6.42	-47.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300010946995	0	38	-1.0	-54.36	325.07	6.32	-48.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300010946996	0	31	-1.0	-39.08	297.76	4.30	-34.78
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010946997	0	28	-1.0	-49.89	287.71	4.61	-45.28
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl	REAL300010946997	1	27	-2.0	-111.69	288.48	4.61	-107.08
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010946998	0	43	-1.0	-53.33	341.31	5.70	-47.63
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010946999	0	27	-2.0	-111.48	280.60	3.52	-107.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=C(Br)C=C1F	REAL300010946999	1	28	-1.0	-49.99	272.74	3.26	-46.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1F	REAL300010947000	0	31	-1.0	-54.08	284.43	3.60	-50.48
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1F	REAL300010947430	0	35	-1.0	-52.46	300.61	3.20	-49.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010947431	0	35	-1.0	-57.86	315.24	3.45	-54.41
COC(=O)C1CCCCC1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947432	0	40	-1.0	-43.80	315.95	4.37	-39.43
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947433	0	43	-1.0	-52.82	339.82	3.72	-49.10
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947434	0	36	-1.0	-53.51	323.65	5.09	-48.42
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947435	0	35	-1.0	-59.74	307.25	1.79	-57.95
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947436	0	36	-1.0	-50.78	310.23	4.94	-45.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010947437	0	33	-1.0	-56.46	298.05	3.48	-52.98
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010947438	0	28	-1.0	-50.54	278.69	4.01	-46.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010947439	0	25	-1.0	-51.87	256.27	1.71	-50.16
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010947439	1	24	-2.0	-112.08	252.51	1.52	-110.56
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947440	0	32	-1.0	-52.01	301.68	2.83	-49.18
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1C	REAL300010947441	0	38	-1.0	-59.33	333.98	3.94	-55.39
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010947442	0	41	-1.0	-65.95	361.04	4.12	-61.83
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300010947443	0	35	-1.0	-50.10	312.15	0.62	-49.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010947444	0	40	-1.0	-55.33	335.10	4.37	-50.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010947445	0	35	-1.0	-54.64	304.08	4.61	-50.03
CSC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947446	0	32	-1.0	-53.25	306.11	4.38	-48.87
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947447	0	30	-1.0	-51.32	290.03	3.31	-48.01
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010947448	0	38	-1.0	-67.10	332.50	-0.42	-67.52
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN=C1Cl	REAL300010947449	0	31	-1.0	-48.51	291.73	0.87	-47.64
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300010947450	0	37	-1.0	-54.65	326.83	3.87	-50.78
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010947451	0	43	-1.0	-55.83	364.64	3.34	-52.49
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947452	0	46	0.0	-83.19	367.31	4.06	-79.13
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947453	0	31	-1.0	-51.50	287.07	4.42	-47.08
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010947454	0	32	-1.0	-60.67	290.01	3.10	-57.57
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947455	0	34	-1.0	-53.15	328.47	4.40	-48.75
COC(=O)C1=CC(F)=C(Br)C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947455	1	33	-2.0	-116.12	325.03	4.23	-111.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010947456	0	28	-1.0	-36.53	295.15	4.38	-32.15
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(Cl)C=C1Cl	REAL300010947456	1	27	-2.0	-109.89	297.38	4.44	-105.45
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010947457	0	28	-1.0	-52.76	266.96	3.22	-49.54
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947458	0	36	-1.0	-62.59	304.08	3.43	-59.16
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300010947459	0	55	-1.0	-52.48	434.42	7.27	-45.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010947460	0	37	-1.0	-55.08	311.56	4.29	-50.79
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947461	0	42	-1.0	-60.95	360.95	4.08	-56.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010947462	0	29	-1.0	-38.13	279.74	3.70	-34.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010947463	0	31	-1.0	-54.48	294.94	1.94	-52.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010947464	0	43	-1.0	-64.10	347.41	3.77	-60.33
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010947465	0	34	-1.0	-52.61	318.08	5.79	-46.82
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])S1	REAL300010947466	0	30	-2.0	-109.87	316.32	3.15	-106.72
COC(=O)C1=CC(Br)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947466	1	31	-1.0	-53.59	313.51	2.97	-50.62
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947467	0	36	-1.0	-56.64	318.09	1.13	-55.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010947469	0	31	-1.0	-49.18	306.35	4.42	-44.76
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947470	0	39	-1.0	-60.95	304.94	1.49	-59.46
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947471	0	33	-1.0	-54.40	310.17	4.93	-49.47
COC1=C(F)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947472	0	34	-1.0	-48.22	314.36	3.74	-44.48
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947473	0	38	-1.0	-52.70	340.63	2.17	-50.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010947474	0	39	-1.0	-60.63	349.82	4.75	-55.88
COC1=CC=C(CCS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947475	0	38	-1.0	-57.13	324.20	3.82	-53.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300010947476	0	46	-1.0	-62.00	380.43	5.48	-56.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010947477	0	43	-1.0	-61.75	361.29	4.31	-57.44
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010947478	0	39	-1.0	-57.83	330.58	4.41	-53.42
CC1=CC=NC2=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CC=C12	REAL300010947479	0	36	-1.0	-62.57	297.01	4.61	-57.96
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(OC)C=C1Br	REAL300010947480	0	36	-1.0	-54.24	317.34	2.74	-51.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010947481	0	31	-1.0	-52.24	284.40	3.60	-48.64
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947482	0	31	-1.0	-51.61	293.60	4.19	-47.42
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947483	0	35	-1.0	-55.62	324.90	2.57	-53.05
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010947484	0	39	-1.0	-67.83	331.71	2.86	-64.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010947485	0	40	-1.0	-56.18	341.97	2.92	-53.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010947486	0	34	-1.0	-53.13	331.34	1.03	-52.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010947487	0	28	-1.0	-40.22	293.74	4.33	-35.89
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)C(Cl)=C1Cl	REAL300010947487	1	27	-2.0	-110.46	295.85	4.40	-106.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010947488	0	36	-1.0	-51.21	320.32	4.13	-47.08
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947489	0	38	-1.0	-52.70	340.63	2.17	-50.53
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010947490	0	31	-1.0	-57.82	295.80	4.31	-53.51
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300010947491	0	38	-1.0	-55.88	322.15	3.44	-52.44
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=CS1	REAL300010947492	0	34	-1.0	-58.73	307.18	4.19	-54.54
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947493	0	39	-1.0	-58.98	321.15	3.24	-55.74
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947494	0	42	-1.0	-61.36	354.79	4.40	-56.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010947495	0	42	-1.0	-58.39	353.06	6.29	-52.10
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947496	0	36	-1.0	-60.73	323.63	5.09	-55.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010947497	0	28	-1.0	-50.12	281.84	3.68	-46.44
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010947497	1	27	-2.0	-112.19	289.73	3.94	-108.25
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010947498	0	40	0.0	-84.94	329.25	4.81	-80.13
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C2O1	REAL300010947499	0	43	-1.0	-52.55	374.60	5.58	-46.97
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947500	0	40	-1.0	-60.91	342.53	5.45	-55.46
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010947501	0	28	-1.0	-41.58	281.20	3.85	-37.73
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010947501	1	27	-2.0	-110.02	283.31	3.92	-106.10
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300010947502	0	36	-1.0	-60.68	307.52	5.86	-54.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010947503	0	34	-1.0	-55.86	311.90	4.69	-51.17
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010947504	0	38	-1.0	-48.13	336.50	6.20	-41.93
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947505	0	31	-1.0	-51.06	294.51	4.37	-46.69
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947506	0	36	-1.0	-58.16	310.31	4.97	-53.19
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010947507	0	28	-1.0	-52.64	282.85	4.13	-48.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010947508	0	30	-1.0	-50.77	295.25	5.17	-45.60
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010947508	1	29	-2.0	-112.36	292.60	4.96	-107.40
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010947509	0	38	-1.0	-48.13	336.50	6.20	-41.93
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010947510	0	28	-1.0	-50.25	287.03	3.99	-46.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010947511	0	39	-1.0	-51.30	347.42	2.68	-48.62
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010947512	0	27	-2.0	-116.78	269.21	3.19	-113.59
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947513	0	38	-1.0	-58.02	313.66	4.67	-53.35
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947514	0	34	-1.0	-54.27	310.22	3.59	-50.68
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947515	0	32	-1.0	-56.32	284.20	3.30	-53.02
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010947516	0	29	-1.0	-54.46	278.53	1.70	-52.76
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010947517	0	41	-1.0	-57.97	338.19	6.32	-51.65
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010947518	0	39	-1.0	-58.50	331.32	3.75	-54.75
C[C@H](CC(=O)[O-])NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010947519	0	45	-1.0	-50.77	350.74	9.45	-41.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010947520	0	42	-1.0	-54.99	346.03	5.16	-49.83
COC(=O)C1=CN=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947521	0	33	-1.0	-52.50	300.88	1.74	-50.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010947522	0	29	-1.0	-51.31	291.40	3.81	-47.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010947523	0	30	-1.0	-35.04	299.68	4.35	-30.69
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010947523	1	29	-2.0	-108.54	301.93	4.41	-104.13
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947524	0	35	-1.0	-54.82	313.01	3.56	-51.26
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947525	0	34	-1.0	-53.18	318.99	3.98	-49.20
COC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010947526	0	36	-1.0	-53.32	323.37	2.75	-50.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010947527	0	32	-1.0	-53.22	296.37	2.55	-50.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010947528	0	31	-1.0	-48.76	295.23	3.97	-44.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947529	0	39	-1.0	-56.93	342.27	0.01	-56.92
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C2S1	REAL300010947530	0	40	-1.0	-53.24	365.53	5.94	-47.30
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010947531	0	34	-1.0	-65.25	295.37	2.30	-62.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010947532	0	33	-1.0	-58.84	307.69	-1.52	-60.36
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947533	0	34	-1.0	-55.09	300.38	3.25	-51.84
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947534	0	36	-1.0	-44.45	321.95	4.58	-39.87
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Br)=C1	REAL300010947535	0	32	-1.0	-52.96	297.48	2.98	-49.98
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-])OCO2	REAL300010947536	0	34	-1.0	-54.70	293.58	2.37	-52.33
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010947537	0	34	-1.0	-52.15	319.31	4.09	-48.06
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947538	0	34	-1.0	-52.78	302.50	4.11	-48.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010947539	0	28	-1.0	-39.35	275.75	3.82	-35.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010947540	0	28	-1.0	-52.36	284.75	4.20	-48.16
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-])OCC(=O)N2	REAL300010947541	0	38	-1.0	-58.07	318.13	0.02	-58.05
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010947542	0	29	-2.0	-110.69	298.03	4.02	-106.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010947542	1	30	-1.0	-49.48	290.12	3.77	-45.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010947543	0	30	-1.0	-48.29	286.39	3.65	-44.64
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010947543	1	29	-2.0	-105.71	294.27	3.90	-101.81
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010947544	0	28	-1.0	-49.78	277.38	4.18	-45.60
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010947544	1	27	-2.0	-110.44	278.15	4.17	-106.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010947545	0	29	-1.0	-59.11	265.37	1.30	-57.81
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1Br	REAL300010947546	0	31	-1.0	-52.59	306.91	4.69	-47.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010947547	0	28	-1.0	-55.90	266.32	3.19	-52.71
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300010947548	0	38	-1.0	-54.06	332.98	3.62	-50.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010947549	0	28	-1.0	-50.13	284.74	4.19	-45.94
CC(=O)NC1=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947550	0	31	-1.0	-58.95	295.46	0.44	-58.51
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947550	1	30	-2.0	-96.13	292.37	-0.71	-96.84
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010947551	0	31	-1.0	-58.03	294.50	4.36	-53.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010947552	0	32	-1.0	-57.17	302.14	0.20	-56.97
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947553	0	37	-1.0	-61.93	317.28	5.35	-56.58
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947554	0	36	-1.0	-55.49	309.38	1.30	-54.19
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010947555	0	32	-1.0	-56.93	306.71	0.30	-56.63
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010947556	0	39	-1.0	-59.63	330.30	4.19	-55.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010947557	0	32	-1.0	-50.28	307.58	4.11	-46.17
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947558	0	35	-1.0	-57.65	319.39	3.61	-54.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=CC(Br)=CN21	REAL300010947559	0	31	-1.0	-52.66	311.04	4.33	-48.33
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010947560	0	29	-1.0	-56.47	289.30	3.74	-52.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010947561	0	29	-1.0	-56.01	291.06	3.85	-52.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947562	0	34	-1.0	-51.03	304.52	4.80	-46.23
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947563	0	45	-1.0	-57.18	387.66	2.63	-54.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010947564	0	34	-1.0	-61.83	312.74	4.53	-57.30
COCCOCCOCCS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947565	0	42	-1.0	-57.80	357.92	0.34	-57.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947566	0	38	-1.0	-66.11	328.17	0.31	-65.80
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010947567	0	27	-2.0	-122.92	270.47	3.65	-119.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010947567	1	28	-1.0	-54.66	269.82	3.67	-50.99
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2CC1	REAL300010947568	0	45	-1.0	-58.03	363.64	4.86	-53.17
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(F)(F)F	REAL300010947569	0	37	-1.0	-54.23	335.85	4.39	-49.84
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300010947570	0	38	-1.0	-51.73	345.14	4.55	-47.18
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947571	0	37	-1.0	-41.65	323.34	5.51	-36.14
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947572	0	37	-1.0	-41.74	319.17	5.22	-36.52
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947573	0	38	-1.0	-63.67	329.67	2.02	-61.65
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947574	0	42	-1.0	-55.40	369.47	3.37	-52.03
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010947575	0	41	-1.0	-60.07	350.23	4.59	-55.48
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010947576	0	37	-1.0	-51.49	334.85	4.58	-46.91
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(F)C=C1Cl	REAL300010947576	1	36	-2.0	-113.48	342.78	4.83	-108.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010947577	0	30	-1.0	-54.48	295.04	4.65	-49.83
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010947577	1	29	-2.0	-117.12	295.69	4.64	-112.48
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010947578	0	37	-1.0	-66.44	310.59	0.20	-66.24
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947579	0	35	-2.0	-116.46	315.80	4.24	-112.22
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300010947580	0	39	-1.0	-56.06	346.79	2.72	-53.34
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(F)C=C1C	REAL300010947581	0	40	-1.0	-54.10	338.29	4.71	-49.39
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947582	0	42	-1.0	-61.26	362.45	1.11	-60.15
COCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947583	0	39	-1.0	-59.20	322.54	2.51	-56.69
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947584	0	41	-1.0	-61.06	343.99	4.36	-56.70
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1C	REAL300010947585	0	40	-1.0	-52.90	343.59	5.02	-47.88
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947586	0	40	-1.0	-60.06	349.72	5.27	-54.79
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947587	0	34	-1.0	-55.93	324.04	5.61	-50.32
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947587	1	33	-2.0	-121.12	321.46	5.46	-115.66
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010947588	0	31	-1.0	-53.22	291.74	4.94	-48.28
CC(COC1CCCC1)CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947589	0	44	-1.0	-57.92	350.27	4.39	-53.53
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010947590	0	34	-1.0	-55.82	311.43	5.03	-50.79
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947591	0	37	-1.0	-57.99	322.29	4.17	-53.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010947592	0	38	-1.0	-56.49	325.09	6.32	-50.17
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947593	0	42	-1.0	-55.32	370.03	0.70	-54.62
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010947594	0	31	-1.0	-56.78	289.94	4.30	-52.48
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1C	REAL300010947595	0	40	-1.0	-54.96	352.99	4.07	-50.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010947596	0	34	-1.0	-60.74	321.42	0.84	-59.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010947597	0	32	-1.0	-57.91	297.88	3.78	-54.13
CC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(Br)N1C	REAL300010947598	0	31	-1.0	-57.69	290.72	2.75	-54.94
CC1=NC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(Br)N1C	REAL300010947598	1	30	-2.0	-125.94	288.74	2.24	-123.70
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947599	0	41	-1.0	-61.27	344.86	3.77	-57.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010947600	0	31	-2.0	-101.45	284.60	2.56	-98.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010947600	1	32	-1.0	-53.68	300.30	1.68	-52.00
C[C@H](CC(=O)[O-])NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010947601	0	45	-1.0	-61.86	394.35	3.43	-58.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010947602	0	29	-1.0	-50.50	286.17	3.49	-47.01
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010947602	1	28	-2.0	-109.11	294.09	3.75	-105.36
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947603	0	39	-1.0	-57.72	337.70	2.30	-55.42
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010947604	0	43	-1.0	-53.07	363.84	5.73	-47.34
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947605	0	40	-1.0	-57.42	354.57	2.13	-55.29
COCCOC1=C(Cl)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947606	0	39	-1.0	-50.06	371.87	3.64	-46.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010947607	0	33	-1.0	-55.67	297.33	0.11	-55.56
COC(=O)C1(CS(=O)(=O)N[C@H](C)CC(=O)[O-])CCCC1	REAL300010947608	0	40	-1.0	-63.70	323.56	4.14	-59.56
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010947609	0	27	-1.0	-47.20	282.20	2.09	-45.11
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947610	0	35	-1.0	-51.74	322.70	3.14	-48.60
COC(=O)CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947611	0	37	-1.0	-57.43	339.89	5.65	-51.78
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300010947612	0	34	-1.0	-50.17	305.35	4.43	-45.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010947613	0	39	-1.0	-52.73	356.29	6.27	-46.46
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947614	0	37	-1.0	-60.27	327.86	4.35	-55.92
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010947615	0	30	-1.0	-60.33	271.42	2.80	-57.53
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010947616	0	34	-1.0	-57.11	310.79	4.97	-52.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010947617	0	28	-1.0	-50.69	283.31	3.13	-47.56
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010947618	0	32	-1.0	-57.87	297.90	4.03	-53.84
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1I	REAL300010947619	0	31	-1.0	-52.19	296.25	4.55	-47.64
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947620	0	41	-1.0	-55.57	360.74	3.27	-52.30
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947621	0	44	-1.0	-55.25	382.61	4.20	-51.05
COC(=O)C1(CS(=O)(=O)N[C@H](C)CC(=O)[O-])CCCCC1	REAL300010947622	0	43	-1.0	-63.08	336.10	4.53	-58.55
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN=C1C	REAL300010947623	0	36	-1.0	-50.13	317.15	2.26	-47.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010947624	0	32	-1.0	-54.93	291.53	2.40	-52.53
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947625	0	37	-1.0	-53.57	344.26	5.00	-48.57
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010947626	0	44	-1.0	-64.05	382.54	4.90	-59.15
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010947627	0	30	-1.0	-48.71	300.37	2.75	-45.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010947628	0	37	-1.0	-55.71	315.72	4.50	-51.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010947629	0	29	-1.0	-54.96	274.67	2.15	-52.81
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010947630	0	34	-1.0	-59.90	307.37	4.67	-55.23
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010947631	0	31	-1.0	-53.88	291.96	1.92	-51.96
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010947631	1	30	-2.0	-116.68	286.77	1.63	-115.05
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010947632	0	30	-1.0	-50.85	290.84	5.07	-45.78
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010947632	1	29	-2.0	-112.11	288.16	4.86	-107.25
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(F)C=C1C	REAL300010947633	0	37	-1.0	-54.27	316.49	3.79	-50.48
CC1=CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C2N=C1Cl	REAL300010947634	0	36	-1.0	-53.29	327.36	4.30	-48.99
C[C@H](CC(=O)[O-])NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010947635	0	38	-1.0	-55.37	328.73	3.79	-51.58
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C(C)C)=C1	REAL300010947636	0	55	-1.0	-53.11	413.57	8.97	-44.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010947637	0	33	-1.0	-57.66	293.53	4.48	-53.18
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947638	0	40	-1.0	-59.78	349.86	5.33	-54.45
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947639	0	33	-1.0	-59.27	291.16	2.52	-56.75
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947640	0	35	-1.0	-51.94	319.11	3.21	-48.73
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])CCC2=C1	REAL300010947641	0	40	-1.0	-54.42	336.23	4.67	-49.75
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010947642	0	31	-1.0	-52.49	288.07	3.44	-49.05
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010947642	1	30	-2.0	-116.30	284.31	3.24	-113.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010947643	0	31	-1.0	-54.51	302.05	4.99	-49.52
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010947643	1	30	-2.0	-123.08	299.43	4.85	-118.23
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947644	0	42	-1.0	-59.11	365.84	0.90	-58.21
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947644	1	41	-2.0	-97.11	358.91	1.09	-96.02
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010947645	0	31	-1.0	-57.68	300.21	4.41	-53.27
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010947646	0	37	-1.0	-70.57	333.90	1.26	-69.31
CC1=CC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2C=C1	REAL300010947647	0	37	-1.0	-54.74	318.20	5.84	-48.90
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947648	0	37	-1.0	-55.02	335.94	4.78	-50.24
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010947649	0	43	-1.0	-60.14	372.50	3.46	-56.68
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947650	0	41	-1.0	-58.76	346.89	3.26	-55.50
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010947651	0	31	-1.0	-57.96	292.00	4.23	-53.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010947652	0	34	-1.0	-57.98	290.63	4.83	-53.15
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(CC)=C1	REAL300010947653	0	46	-1.0	-52.35	352.64	7.50	-44.85
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300010947654	0	47	-1.0	-52.18	392.37	3.67	-48.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010947655	0	35	-1.0	-60.04	306.88	2.65	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010947656	0	30	-1.0	-52.00	299.07	2.82	-49.18
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947657	0	36	-1.0	-56.60	313.06	2.65	-53.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010947658	0	36	-1.0	-51.57	322.07	1.45	-50.12
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010947659	0	33	-1.0	-58.45	305.09	-2.13	-60.58
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010947660	0	39	-1.0	-65.10	322.69	0.14	-64.96
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Cl	REAL300010947661	0	32	-1.0	-50.89	296.43	2.77	-48.12
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010947662	0	31	-1.0	-54.65	277.36	0.09	-54.56
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947663	0	41	-1.0	-60.18	348.06	4.33	-55.85
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010947664	0	37	-1.0	-52.63	315.85	5.76	-46.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010947665	0	32	-1.0	-52.33	281.69	3.05	-49.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010947666	0	32	-1.0	-52.16	292.03	3.50	-48.66
COC(=O)CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947667	0	37	-1.0	-57.65	333.30	4.40	-53.25
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947668	0	41	-1.0	-59.40	338.77	4.43	-54.97
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010947669	0	31	-1.0	-54.88	307.98	4.80	-50.08
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010947670	0	31	-1.0	-55.05	306.64	4.82	-50.23
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010947671	0	31	-1.0	-50.68	290.47	2.01	-48.67
CCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010947672	0	36	-1.0	-56.49	313.33	4.74	-51.75
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947673	0	44	-1.0	-58.38	343.65	5.11	-53.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010947674	0	35	-1.0	-55.33	326.31	5.29	-50.04
COC1=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947675	0	31	-1.0	-48.86	294.14	0.09	-48.77
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947676	0	37	-1.0	-54.63	322.25	4.18	-50.45
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947677	0	37	-1.0	-52.20	344.38	4.55	-47.65
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=N1	REAL300010947678	0	37	-1.0	-53.95	337.12	4.38	-49.57
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1F	REAL300010947679	0	34	-1.0	-55.95	315.31	3.72	-52.23
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947679	1	33	-2.0	-119.78	323.26	3.97	-115.81
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947680	0	37	-1.0	-58.05	320.63	3.88	-54.17
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947681	0	34	-1.0	-56.69	307.10	4.83	-51.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010947682	0	43	-1.0	-50.20	365.51	0.71	-49.49
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010947683	0	35	-1.0	-61.30	315.99	0.77	-60.53
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])SC(Br)=C1	REAL300010947684	0	28	-1.0	-51.56	275.01	3.85	-47.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010947685	0	37	-1.0	-55.27	301.44	3.24	-52.03
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947686	0	38	-1.0	-54.09	326.17	1.95	-52.14
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010947687	0	34	-1.0	-57.42	307.28	4.90	-52.52
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947688	0	32	-1.0	-52.59	294.59	3.45	-49.14
COC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-])C(=O)NCCC2	REAL300010947689	0	43	-1.0	-65.74	343.51	1.85	-63.89
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S2)C1	REAL300010947690	0	39	-1.0	-58.52	340.57	3.38	-55.14
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010947691	0	35	-1.0	-55.02	325.33	5.55	-49.47
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010947692	0	31	-1.0	-55.25	296.31	4.38	-50.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010947693	0	32	-1.0	-52.59	296.44	0.00	-52.59
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010947693	1	31	-2.0	-111.07	304.38	0.25	-110.82
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010947694	0	31	-1.0	-55.92	293.08	4.26	-51.66
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010947695	0	28	-1.0	-49.15	288.92	4.04	-45.11
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947696	0	35	-1.0	-61.38	306.82	0.35	-61.03
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947697	0	53	-1.0	-52.87	431.22	7.84	-45.03
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947698	0	43	-1.0	-56.86	360.74	5.25	-51.61
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010947699	0	28	-1.0	-48.38	299.93	4.65	-43.73
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Br	REAL300010947699	1	27	-2.0	-108.97	296.53	4.49	-104.48
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947700	0	38	-1.0	-56.67	331.84	5.12	-51.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010947701	0	28	-1.0	-50.29	277.91	3.58	-46.71
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947702	0	34	-1.0	-54.27	310.22	3.59	-50.68
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010947703	0	42	-1.0	-54.83	359.07	5.97	-48.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010947704	0	42	-1.0	-55.05	368.36	6.26	-48.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1Br	REAL300010947705	0	27	-1.0	-59.44	255.86	2.95	-56.49
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010947705	1	26	-2.0	-124.66	260.66	1.57	-123.09
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2)=N1	REAL300010947706	0	40	-1.0	-58.23	345.57	2.81	-55.42
COC(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C1=CC=C(F)C=C1	REAL300010947707	0	38	-1.0	-64.18	320.64	4.33	-59.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010947708	0	40	-1.0	-55.60	335.10	4.33	-51.27
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])N(C)N=C1	REAL300010947709	0	34	-1.0	-56.11	296.38	1.75	-54.36
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300010947710	0	36	-1.0	-52.95	331.90	1.76	-51.19
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CC=C12	REAL300010947711	0	40	-1.0	-55.16	342.86	5.79	-49.37
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947712	0	39	-1.0	-55.65	335.61	2.00	-53.65
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1F	REAL300010947713	0	34	-1.0	-55.91	304.98	3.28	-52.63
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947713	1	33	-2.0	-119.30	312.94	3.53	-115.77
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(Cl)C=C21	REAL300010947714	0	39	-1.0	-56.70	337.91	4.32	-52.38
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947715	0	41	-1.0	-54.81	340.94	4.57	-50.24
COC(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C1CCCCC1	REAL300010947716	0	44	-1.0	-54.58	339.80	3.83	-50.75
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300010947717	0	47	-1.0	-53.22	382.34	5.96	-47.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010947718	0	31	-1.0	-63.70	301.78	2.76	-60.94
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010947719	0	36	-1.0	-51.81	314.48	5.37	-46.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010947720	0	41	-1.0	-51.34	351.96	5.21	-46.13
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])O1	REAL300010947721	0	34	-1.0	-52.69	309.30	2.36	-50.33
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])O1	REAL300010947721	1	33	-2.0	-113.45	305.57	2.16	-111.29
CCC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1CC1CC1	REAL300010947722	0	41	-1.0	-60.19	343.74	5.91	-54.28
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947723	0	34	-1.0	-58.85	316.74	5.05	-53.80
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2C1	REAL300010947724	0	39	-1.0	-61.35	334.31	3.38	-57.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010947725	0	31	-1.0	-47.47	292.59	1.50	-45.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010947726	0	39	-1.0	-55.21	351.52	7.00	-48.21
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947727	0	31	-1.0	-51.34	292.77	4.47	-46.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010947728	0	38	-1.0	-58.46	317.60	6.38	-52.08
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010947729	0	48	-1.0	-53.36	406.25	7.81	-45.55
CC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947730	0	34	-1.0	-57.03	311.34	4.98	-52.05
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947731	0	35	-1.0	-59.11	318.08	3.68	-55.43
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010947732	0	34	-1.0	-58.82	305.33	4.57	-54.25
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010947733	0	27	-1.0	-52.75	262.21	1.10	-51.65
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010947733	1	26	-2.0	-113.02	270.10	1.46	-111.56
CC(C)OC1=CN=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947734	0	37	-1.0	-50.91	315.46	1.95	-48.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010947735	0	34	-1.0	-64.20	293.14	1.05	-63.15
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010947736	0	35	-1.0	-61.28	326.44	2.21	-59.07
CCC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C)C=C1OC	REAL300010947737	0	41	-1.0	-55.09	336.94	4.59	-50.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010947738	0	34	-1.0	-50.19	322.11	4.78	-45.41
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947739	0	36	-1.0	-59.30	320.60	3.92	-55.38
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947740	0	31	-1.0	-51.11	303.63	4.78	-46.33
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010947741	0	37	-1.0	-55.92	302.81	6.10	-49.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010947742	0	35	-1.0	-52.90	322.15	2.99	-49.91
CC1=CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C2NC1=O	REAL300010947743	0	37	-1.0	-54.70	321.97	2.66	-52.04
CC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010947744	0	37	-1.0	-54.87	331.66	4.22	-50.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010947745	0	28	-1.0	-52.73	268.99	0.61	-52.12
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010947745	1	27	-2.0	-113.00	263.78	0.31	-112.69
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010947746	0	33	-1.0	-50.74	292.61	3.90	-46.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010947747	0	34	-1.0	-51.99	301.59	4.50	-47.49
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010947748	0	45	0.0	-81.03	351.25	2.25	-78.78
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCN1CCN(C)CC1	REAL300010947748	1	44	-1.0	-57.55	347.18	-0.25	-57.80
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010947749	0	28	-1.0	-51.55	259.54	0.46	-51.09
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC(C(F)(F)F)=C1	REAL300010947750	0	37	-1.0	-51.09	340.66	5.52	-45.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(I)N(C)N=C1	REAL300010947751	0	28	-1.0	-38.49	274.30	1.26	-37.23
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947752	0	32	-1.0	-58.13	286.10	4.04	-54.09
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300010947753	0	37	-1.0	-51.11	320.06	1.41	-49.70
CCCCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=N1	REAL300010947754	0	40	-1.0	-53.24	341.90	3.66	-49.58
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(OC)C=C1F	REAL300010947755	0	38	-1.0	-55.17	326.74	3.45	-51.72
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947756	0	38	-1.0	-62.54	324.84	3.72	-58.82
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300010947757	0	44	-1.0	-53.70	360.83	5.16	-48.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010947758	0	40	-1.0	-51.54	329.13	5.16	-46.38
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010947759	0	31	-1.0	-55.12	293.09	4.25	-50.87
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010947760	0	47	-1.0	-57.56	375.06	7.55	-50.01
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947761	0	33	-1.0	-57.34	314.06	2.90	-54.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)NC=N1	REAL300010947762	0	25	-1.0	-58.97	245.47	1.93	-57.04
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010947762	1	24	-2.0	-124.34	248.58	0.73	-123.61
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010947763	0	36	-1.0	-59.68	318.05	3.87	-55.81
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010947764	0	27	-1.0	-40.45	270.81	1.86	-38.59
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010947764	1	26	-2.0	-110.72	273.17	2.00	-108.72
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947765	0	31	-1.0	-52.40	286.59	0.67	-51.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010947766	0	33	-1.0	-54.75	306.38	3.76	-50.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010947767	0	30	-1.0	-50.27	290.62	2.77	-47.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010947768	0	38	-1.0	-57.61	328.07	3.55	-54.06
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010947769	0	31	-1.0	-53.31	291.18	3.87	-49.44
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010947770	0	27	-1.0	-58.20	277.69	1.38	-56.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010947771	0	30	-1.0	-52.04	304.40	2.97	-49.07
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010947772	0	30	-1.0	-56.19	285.41	4.21	-51.98
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010947773	0	39	-1.0	-62.67	334.83	-0.36	-63.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010947774	0	29	-1.0	-50.19	295.89	2.04	-48.15
COC(=O)C1=CC=C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947775	0	37	-1.0	-60.02	328.00	4.41	-55.61
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010947776	0	30	-2.0	-124.59	299.29	3.76	-120.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010947776	1	31	-1.0	-54.20	299.49	4.12	-50.08
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010947777	0	31	-1.0	-51.72	283.64	1.64	-50.08
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010947777	1	30	-2.0	-113.69	281.28	1.42	-112.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010947778	0	38	-1.0	-50.74	308.26	2.86	-47.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010947779	0	25	-1.0	-39.72	254.74	2.33	-37.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010947780	0	40	-1.0	-53.20	313.73	3.55	-49.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010947781	0	38	-1.0	-53.36	318.38	3.22	-50.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010947782	0	31	-1.0	-47.67	281.96	1.93	-45.74
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947783	0	46	-1.0	-57.78	394.77	4.68	-53.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1Br	REAL300010947784	0	28	-1.0	-54.96	261.24	0.50	-54.46
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010947785	0	30	-1.0	-53.11	278.62	3.13	-49.98
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947786	0	35	-1.0	-58.93	307.78	3.19	-55.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010947787	0	42	-1.0	-53.49	356.82	4.11	-49.38
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947788	0	31	-1.0	-51.12	301.90	4.88	-46.24
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947789	0	33	-1.0	-58.65	296.69	3.40	-55.25
C[C@H](CC(=O)[O-])NS(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010947790	0	37	-1.0	-73.05	317.36	1.09	-71.96
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300010947791	0	50	-1.0	-52.69	403.84	6.74	-45.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010947792	0	31	-1.0	-50.77	287.60	3.81	-46.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010947793	0	39	-1.0	-43.00	334.65	3.42	-39.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010947794	0	32	-1.0	-53.74	300.23	4.65	-49.09
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)(C)C	REAL300010947795	0	50	-1.0	-53.45	394.90	6.63	-46.82
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1CC	REAL300010947796	0	44	-1.0	-52.75	365.46	5.44	-47.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947797	0	34	-1.0	-49.08	294.61	4.92	-44.16
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947798	0	39	-1.0	-55.47	356.29	3.07	-52.40
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947799	0	42	-1.0	-66.13	339.51	2.64	-63.49
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010947800	0	31	-1.0	-56.44	304.84	4.74	-51.70
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010947801	0	31	-1.0	-56.94	295.72	4.33	-52.61
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010947802	0	38	-1.0	-62.88	331.56	4.94	-57.94
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947803	0	34	-1.0	-55.91	308.83	5.00	-50.91
COC1=CC=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1F	REAL300010947804	0	32	-1.0	-57.20	295.47	3.01	-54.19
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1F	REAL300010947804	1	31	-2.0	-123.04	297.09	3.02	-120.02
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947805	0	38	-1.0	-56.86	325.17	5.27	-51.59
CCOC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])N(C)N=C1	REAL300010947806	0	37	-1.0	-56.05	318.24	2.68	-53.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010947807	0	32	-1.0	-55.49	297.73	4.56	-50.93
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(=O)OC	REAL300010947808	0	40	-1.0	-56.80	356.63	4.55	-52.25
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947809	0	41	-1.0	-56.93	352.27	3.70	-53.23
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010947810	0	37	-1.0	-61.65	311.56	3.74	-57.91
COC(=O)C1=CC=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947811	0	33	-1.0	-58.81	302.68	1.76	-57.05
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947812	0	44	-1.0	-54.71	364.36	5.63	-49.08
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300010947813	0	48	-1.0	-61.01	377.85	5.37	-55.64
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947814	0	35	-1.0	-58.35	312.39	3.07	-55.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010947815	0	42	-1.0	-54.85	346.48	2.99	-51.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010947816	0	43	-1.0	-67.12	361.57	5.56	-61.56
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C21	REAL300010947817	0	42	-1.0	-71.02	351.73	4.84	-66.18
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)C=C1	REAL300010947818	0	43	-1.0	-52.26	379.77	6.77	-45.49
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010947819	0	38	-1.0	-49.92	320.97	3.51	-46.41
COC(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947820	0	40	-1.0	-53.58	342.24	5.85	-47.73
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947821	0	41	-1.0	-62.03	343.61	4.33	-57.70
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947822	0	38	-1.0	-59.32	324.89	3.72	-55.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010947823	0	39	-1.0	-58.27	316.16	0.86	-57.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010947824	0	34	-1.0	-53.31	317.64	3.84	-49.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010947825	0	34	-1.0	-54.30	301.63	0.14	-54.16
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010947826	0	24	-2.0	-115.98	248.80	1.51	-114.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300010947826	1	25	-1.0	-55.39	247.32	2.25	-53.14
COC1=C(F)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947827	0	32	-1.0	-48.81	296.78	2.46	-46.35
COC1=CC(F)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300010947828	0	32	-1.0	-53.52	281.41	1.97	-51.55
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300010947829	0	53	-1.0	-53.12	425.34	7.52	-45.60
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300010947830	0	44	-1.0	-55.85	352.27	5.06	-50.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947831	0	38	-1.0	-57.06	310.22	4.53	-52.53
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300010947832	0	51	-1.0	-55.33	416.32	5.38	-49.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010947833	0	36	-1.0	-52.03	319.44	2.61	-49.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010947834	0	36	-1.0	-57.51	319.15	5.12	-52.39
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947835	0	32	-1.0	-55.63	287.04	3.56	-52.07
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947835	1	31	-2.0	-123.63	284.59	3.45	-120.18
CC1=C(Br)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C)S1	REAL300010947836	0	31	-1.0	-52.80	292.62	4.23	-48.57
CC1=CC(Cl)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(Br)=C1	REAL300010947837	0	31	-1.0	-53.82	295.04	4.87	-48.95
COC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=N1	REAL300010947838	0	33	-1.0	-53.03	301.85	1.75	-51.28
COC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1Br	REAL300010947839	0	34	-1.0	-56.20	317.76	4.20	-52.00
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C21	REAL300010947840	0	45	-1.0	-69.77	360.38	4.98	-64.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010947841	0	34	-1.0	-57.39	301.04	3.42	-53.97
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C21	REAL300010947842	0	42	-1.0	-66.16	350.31	4.52	-61.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=NN1C	REAL300010947843	0	28	-1.0	-47.82	271.88	1.04	-46.78
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010947844	0	30	-1.0	-48.95	284.79	2.03	-46.92
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010947845	0	32	-1.0	-56.17	294.08	2.97	-53.20
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010947846	0	31	-1.0	-64.21	297.21	2.65	-61.56
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1F	REAL300010947847	0	37	-1.0	-51.02	303.15	5.51	-45.51
COC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300010947848	0	36	-1.0	-55.67	308.81	2.75	-52.92
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010947849	0	37	-1.0	-60.84	319.23	0.13	-60.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010947850	0	29	-1.0	-51.80	291.43	3.82	-47.98
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCCNC(=O)C(F)(F)F)C=C1	REAL300010947851	0	44	-1.0	-58.48	395.24	3.88	-54.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC[N-]C(=O)C(F)(F)F)C=C1	REAL300010947851	1	43	-2.0	-91.25	392.26	2.29	-88.96
COC1=CC=C(F)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300010947852	0	36	-1.0	-58.65	309.93	3.21	-55.44
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947853	0	30	-2.0	-109.49	306.77	2.17	-107.32
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947853	1	31	-1.0	-50.45	310.55	2.35	-48.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010947854	0	25	-1.0	-50.99	270.90	3.13	-47.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010947855	0	41	-1.0	-54.23	340.20	3.79	-50.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010947856	0	32	-1.0	-55.48	300.18	4.75	-50.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010947857	0	30	-2.0	-102.17	274.10	3.16	-99.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010947858	0	32	-1.0	-55.07	290.12	2.49	-52.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010947859	0	32	-1.0	-59.42	294.31	2.99	-56.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010947860	0	31	-1.0	-59.01	280.03	2.12	-56.89
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010947860	1	30	-2.0	-128.89	277.57	2.00	-126.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010947861	0	28	-2.0	-99.90	278.59	2.60	-97.30
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300010947862	0	34	-1.0	-54.59	305.27	4.99	-49.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010947863	0	34	-1.0	-50.95	320.53	4.09	-46.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010947864	0	31	-1.0	-53.34	285.42	3.31	-50.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010947865	0	38	-1.0	-54.33	323.43	3.37	-50.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947866	0	46	-1.0	-56.51	363.44	6.89	-49.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010947867	0	34	-1.0	-52.14	322.12	4.79	-47.35
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010947868	0	38	-1.0	-53.13	324.95	3.52	-49.61
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010947869	0	39	-1.0	-58.06	337.41	5.79	-52.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010947870	0	41	-1.0	-60.46	340.68	1.31	-59.15
COC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010947871	0	37	-1.0	-69.36	315.42	4.13	-65.23
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947872	0	34	-1.0	-51.70	307.26	1.22	-50.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010947873	0	32	-1.0	-47.88	307.35	4.25	-43.63
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2C=C1	REAL300010947874	0	40	-1.0	-54.39	351.57	5.81	-48.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010947875	0	37	-1.0	-54.72	339.93	5.51	-49.21
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300010947876	0	33	-1.0	-48.74	301.84	2.73	-46.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010947877	0	31	-1.0	-49.23	296.04	3.98	-45.25
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010947878	0	28	-1.0	-53.11	273.07	3.42	-49.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010947879	0	28	-1.0	-51.23	282.67	3.01	-48.22
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947880	0	38	-1.0	-57.12	333.09	1.94	-55.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010947881	0	25	-1.0	-51.87	256.27	1.71	-50.16
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010947881	1	24	-2.0	-112.08	252.51	1.52	-110.56
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010947882	0	31	-1.0	-48.53	302.81	4.33	-44.20
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947883	0	39	-1.0	-60.62	335.49	4.94	-55.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010947884	0	39	-1.0	-55.38	320.92	6.02	-49.36
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010947885	0	38	-1.0	-61.23	331.12	4.59	-56.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010947886	0	34	-1.0	-52.30	314.75	3.99	-48.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010947887	0	33	-1.0	-53.63	296.00	3.38	-50.25
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010947888	0	35	-1.0	-62.91	302.51	1.39	-61.52
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947889	0	38	-1.0	-51.45	347.10	3.68	-47.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010947890	0	28	-1.0	-38.46	280.32	3.93	-34.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010947891	0	28	-1.0	-53.80	270.02	3.26	-50.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010947892	0	31	-1.0	-53.55	281.41	4.50	-49.05
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947893	0	34	-1.0	-51.82	315.73	3.26	-48.56
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010947894	0	35	-1.0	-55.88	294.89	4.70	-51.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010947895	0	30	-1.0	-50.28	305.08	3.15	-47.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010947896	0	38	-1.0	-50.39	315.81	3.51	-46.88
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947897	0	37	-1.0	-60.18	322.12	0.42	-59.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010947898	0	31	-1.0	-59.49	304.72	-0.57	-60.06
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947899	0	37	-1.0	-60.18	322.12	0.42	-59.76
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010947900	0	31	-1.0	-56.23	275.27	4.43	-51.80
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947901	0	40	-1.0	-62.22	340.72	6.68	-55.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010947902	0	28	-1.0	-51.78	275.77	2.21	-49.57
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010947902	1	27	-2.0	-110.04	271.99	2.01	-108.03
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947903	0	32	-1.0	-52.75	280.26	2.90	-49.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010947904	0	42	-1.0	-54.36	348.09	2.02	-52.34
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010947905	0	34	-1.0	-53.27	304.12	4.44	-48.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010947906	0	32	-1.0	-54.11	290.13	2.49	-51.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C(Cl)=C1	REAL300010947907	0	35	-1.0	-51.33	340.24	2.83	-48.50
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010947908	0	43	-1.0	-55.13	345.83	5.70	-49.43
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C12	REAL300010947909	0	39	-1.0	-62.38	318.46	4.99	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010947910	0	36	-1.0	-54.80	305.84	3.15	-51.65
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947911	0	38	-1.0	-55.65	327.83	3.60	-52.05
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947912	0	37	-1.0	-58.81	329.68	5.08	-53.73
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010947913	0	31	-1.0	-54.05	310.03	4.93	-49.12
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010947914	0	38	-1.0	-51.12	330.65	4.06	-47.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010947915	0	41	-1.0	-53.24	337.37	3.81	-49.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010947916	0	31	-1.0	-53.97	305.53	5.12	-48.85
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010947916	1	30	-2.0	-121.30	302.91	4.98	-116.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010947917	0	39	-1.0	-52.56	339.59	5.75	-46.81
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947918	0	40	-1.0	-61.69	340.64	5.79	-55.90
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(C)=C1Br	REAL300010947919	0	34	-1.0	-51.06	308.59	4.65	-46.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010947920	0	33	-1.0	-54.31	310.07	4.27	-50.04
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010947920	1	32	-2.0	-122.15	310.89	4.32	-117.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010947921	0	34	-1.0	-55.50	317.46	4.42	-51.08
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010947921	1	33	-2.0	-117.76	325.01	4.04	-113.72
C[C@H](CC(=O)[O-])NS(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010947922	0	40	-1.0	-57.93	333.53	0.75	-57.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010947923	0	32	-1.0	-55.38	301.75	4.65	-50.73
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2	REAL300010947924	0	34	-1.0	-52.34	335.81	4.16	-48.18
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010947925	0	27	-2.0	-118.62	277.94	3.69	-114.93
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947926	0	30	-1.0	-52.56	281.24	1.70	-50.86
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947926	1	29	-2.0	-111.07	289.14	2.06	-109.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010947927	0	33	-1.0	-62.15	308.44	4.12	-58.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010947928	0	33	-1.0	-58.89	304.82	3.93	-54.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947929	0	30	-1.0	-52.56	281.24	1.70	-50.86
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010947929	1	29	-2.0	-111.07	289.14	2.06	-109.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010947930	0	31	-1.0	-54.05	310.03	4.93	-49.12
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300010947931	0	37	-1.0	-57.72	310.32	5.85	-51.87
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947932	0	32	-1.0	-58.05	301.96	3.91	-54.14
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947932	1	31	-2.0	-129.61	299.96	3.76	-125.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010947933	0	35	-1.0	-55.72	308.81	3.28	-52.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010947934	0	42	-1.0	-53.77	355.02	4.39	-49.38
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010947935	0	28	-1.0	-52.38	267.76	3.15	-49.23
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010947935	1	27	-2.0	-112.01	275.65	3.40	-108.61
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])O1	REAL300010947936	0	34	-1.0	-61.78	315.54	-0.72	-62.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010947937	0	38	-1.0	-56.25	325.84	4.42	-51.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010947938	0	34	-1.0	-57.98	314.66	1.52	-56.46
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010947939	0	32	-1.0	-53.69	304.79	4.75	-48.94
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010947940	0	32	-1.0	-53.28	304.78	4.76	-48.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010947941	0	30	-1.0	-54.32	281.82	2.30	-52.02
CC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010947942	0	37	-1.0	-60.73	320.29	3.34	-57.39
CC1=NC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010947942	1	36	-2.0	-132.10	322.58	1.96	-130.14
C[C@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010947943	0	45	-1.0	-58.39	326.45	5.90	-52.49
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300010947944	0	36	-1.0	-65.96	319.92	-0.16	-66.12
CCOC(=O)C1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2C=CC=CN12	REAL300010947945	0	40	-1.0	-62.62	352.72	4.70	-57.92
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010947946	0	32	-1.0	-63.16	297.42	2.06	-61.10
COC(=O)C1=CN2C=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2C=C1	REAL300010947947	0	37	-1.0	-61.69	328.06	5.81	-55.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010947948	0	38	-1.0	-59.33	331.38	5.89	-53.44
COC(=O)C1CCCCN1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947949	0	39	-1.0	-62.51	317.50	3.58	-58.93
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010947950	0	50	-1.0	-54.08	380.57	7.09	-46.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010947951	0	31	-1.0	-55.03	296.36	3.73	-51.30
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300010947952	0	39	-1.0	-54.69	323.76	4.12	-50.57
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=NN1	REAL300010947953	0	34	-1.0	-55.33	305.02	1.55	-53.78
CCOC(=O)C1=N[N-]C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947953	1	33	-2.0	-101.28	301.50	1.42	-99.86
CCOC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=N[N-]1	REAL300010947953	1	33	-2.0	-101.41	301.60	1.41	-100.00
COC1=CSC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300010947954	0	33	-1.0	-60.15	294.34	1.23	-58.92
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])=C1	REAL300010947955	0	30	-2.0	-108.70	302.69	2.06	-106.64
COC(=O)C1=C(Cl)OC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947955	1	31	-1.0	-50.46	306.47	2.25	-48.21
C[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010947956	0	39	-1.0	-54.76	329.11	4.88	-49.88
COC1=C(Br)C=CC(F)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947957	0	32	-1.0	-54.78	301.23	4.14	-50.64
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-][C@H](C)CC(=O)[O-]	REAL300010947957	1	31	-2.0	-122.27	298.78	4.03	-118.24
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010947958	0	32	-1.0	-54.02	299.98	3.68	-50.34
COC1=CC(F)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947959	0	32	-1.0	-56.24	288.52	2.47	-53.77
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])C(F)=C1	REAL300010947959	1	31	-2.0	-124.01	286.11	2.36	-121.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010947960	0	32	-1.0	-55.44	296.34	2.55	-52.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010947961	0	31	-1.0	-54.82	281.31	4.58	-50.24
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010947962	0	37	-1.0	-52.45	329.75	3.40	-49.05
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010947963	0	25	-1.0	-47.99	275.81	3.03	-44.96
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010947963	1	24	-2.0	-108.42	273.21	2.88	-105.54
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947964	0	41	-1.0	-53.05	339.05	5.10	-47.95
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010947965	0	45	-1.0	-53.73	369.29	4.81	-48.92
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010947966	0	31	-1.0	-51.37	306.61	4.24	-47.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010947967	0	33	-1.0	-53.83	302.36	3.55	-50.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(I)C=CS1	REAL300010947968	0	25	-1.0	-55.25	258.43	3.26	-51.99
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010947968	1	24	-2.0	-115.20	266.63	2.83	-112.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010947969	0	39	-1.0	-56.20	341.32	5.83	-50.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010947970	0	34	-1.0	-62.29	287.21	4.90	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010947971	0	33	-1.0	-54.40	305.75	1.50	-52.90
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010947972	0	29	-1.0	-55.57	282.10	1.78	-53.79
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947973	0	39	-1.0	-55.27	334.24	4.52	-50.75
CCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C2CC2)=N1	REAL300010947974	0	38	-1.0	-54.30	329.97	3.63	-50.67
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300010947975	0	32	-1.0	-62.45	290.19	2.28	-60.17
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010947976	0	34	-1.0	-52.86	313.52	5.68	-47.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010947977	0	38	-1.0	-52.37	341.83	6.84	-45.53
COC(=O)C1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C(Cl)S1	REAL300010947978	0	31	-1.0	-55.78	307.16	3.97	-51.81
CCC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300010947979	0	34	-1.0	-50.84	309.96	4.79	-46.05
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947980	0	41	-1.0	-50.51	337.69	4.07	-46.44
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300010947981	0	42	-1.0	-59.13	344.04	3.29	-55.84
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010947982	0	34	-1.0	-54.86	310.50	5.80	-49.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300010947983	0	36	-1.0	-50.09	299.83	0.48	-49.61
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010947984	0	34	-1.0	-53.06	315.74	2.74	-50.32
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947985	0	42	-1.0	-67.42	358.73	3.68	-63.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010947986	0	43	-1.0	-53.90	352.79	3.29	-50.61
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947987	0	31	-1.0	-52.60	282.02	0.56	-52.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010947988	0	27	-1.0	-50.79	276.42	1.33	-49.46
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010947989	0	38	-1.0	-55.56	314.84	0.93	-54.63
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010947990	0	31	-1.0	-63.70	301.78	2.76	-60.94
C[C@H](CC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010947991	0	25	-2.0	-119.05	261.46	0.50	-118.55
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010947991	1	26	-1.0	-53.02	264.70	0.61	-52.41
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947992	0	32	-1.0	-63.00	299.17	0.96	-62.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010947993	0	25	-1.0	-50.99	270.90	3.13	-47.86
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947994	0	32	-1.0	-56.23	288.77	3.41	-52.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010947995	0	30	-1.0	-54.67	286.58	2.08	-52.59
COC1=NC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1Cl	REAL300010947996	0	31	-1.0	-51.35	291.82	0.25	-51.10
CCC(=O)NC1=NC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947997	0	37	-1.0	-58.31	332.71	1.98	-56.33
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300010947997	1	36	-2.0	-97.01	329.42	0.85	-96.16
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300010947998	0	35	-1.0	-57.98	313.31	0.71	-57.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010947999	0	32	-1.0	-53.27	314.45	5.07	-48.20
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010948000	0	33	-1.0	-54.90	303.48	5.11	-49.79
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1F	REAL300010952653	0	39	-1.0	-57.29	312.08	5.29	-52.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010952654	0	39	-1.0	-65.32	334.47	5.97	-59.35
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952655	0	44	-1.0	-72.70	339.86	6.89	-65.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952656	0	47	-1.0	-61.68	355.12	6.17	-55.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952657	0	40	-1.0	-49.18	338.23	7.04	-42.14
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952658	0	40	-1.0	-55.02	322.24	7.12	-47.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010952659	0	37	-1.0	-64.74	326.27	6.10	-58.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010952660	0	29	-1.0	-48.49	269.26	4.30	-44.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300010952661	0	42	-1.0	-74.68	325.19	6.42	-68.26
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300010952662	0	44	-1.0	-64.59	322.25	7.03	-57.56
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952663	0	36	-1.0	-58.61	321.31	5.36	-53.25
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300010952664	0	42	-1.0	-58.25	345.89	5.76	-52.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010952665	0	45	-1.0	-73.27	384.08	6.67	-66.60
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C12	REAL300010952666	0	39	-1.0	-41.45	323.74	2.43	-39.02
CCC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952667	0	34	-1.0	-42.58	292.31	3.35	-39.23
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010952668	0	44	-1.0	-61.53	354.73	6.87	-54.66
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010952669	0	32	-1.0	-65.10	280.78	6.04	-59.06
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Cl)=N1	REAL300010952670	0	34	-1.0	-56.67	293.46	4.55	-52.12
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952671	0	37	-1.0	-60.58	316.67	5.78	-54.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010952672	0	39	-1.0	-60.42	333.10	7.13	-53.29
CSC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952673	0	36	-1.0	-57.53	325.69	6.91	-50.62
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952674	0	34	-1.0	-37.98	301.45	5.14	-32.84
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952675	0	42	-1.0	-74.40	355.46	2.13	-72.27
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1Cl	REAL300010952676	0	35	-1.0	-40.52	303.35	2.67	-37.85
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C21	REAL300010952677	0	41	-1.0	-59.37	346.39	6.40	-52.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010952678	0	47	-1.0	-63.45	384.23	5.88	-57.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010952679	0	31	-1.0	-36.63	283.84	4.58	-32.05
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952680	0	50	0.0	-91.45	378.99	6.36	-85.09
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952681	0	41	-1.0	-63.77	336.83	7.70	-56.07
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952682	0	38	-1.0	-66.53	323.04	7.03	-59.50
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952683	0	35	-1.0	-57.14	298.49	6.57	-50.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010952684	0	36	-1.0	-64.89	302.03	5.34	-59.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010952685	0	32	-1.0	-56.35	295.06	6.08	-50.27
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952686	0	40	-1.0	-69.76	321.26	5.86	-63.90
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1C	REAL300010952687	0	59	-1.0	-61.27	452.00	9.78	-51.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010952688	0	41	-1.0	-49.31	326.98	6.21	-43.10
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952689	0	35	-1.0	-66.61	282.27	6.12	-60.49
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952690	0	46	-1.0	-52.53	386.10	6.00	-46.53
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010952691	0	33	-1.0	-60.79	297.19	6.17	-54.62
CC1=NC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CS1	REAL300010952692	0	34	-1.0	-67.32	300.50	3.94	-63.38
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010952693	0	35	-1.0	-51.50	306.97	3.66	-47.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010952694	0	38	-1.0	-59.58	337.66	8.32	-51.26
COC(=O)CCCCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952695	0	43	-1.0	-70.64	355.98	6.42	-64.22
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CN=C21	REAL300010952696	0	37	-1.0	-57.52	314.80	4.57	-52.95
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952697	0	40	-1.0	-65.36	337.19	3.71	-61.65
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010952699	0	35	-1.0	-54.88	322.94	6.87	-48.01
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952700	0	43	-1.0	-58.91	341.40	3.83	-55.08
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952701	0	38	-1.0	-51.68	330.92	6.18	-45.50
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952702	0	42	-1.0	-59.31	361.64	4.83	-54.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010952703	0	43	-1.0	-68.89	369.35	7.26	-61.63
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952704	0	42	-1.0	-63.67	346.95	6.37	-57.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010952705	0	35	-1.0	-51.84	300.83	3.49	-48.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010952706	0	43	-1.0	-64.45	353.33	6.91	-57.54
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C12	REAL300010952707	0	40	-1.0	-68.98	325.93	7.13	-61.85
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010952708	0	35	-1.0	-61.70	302.35	6.30	-55.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010952709	0	35	-1.0	-55.57	312.51	6.46	-49.11
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952710	0	35	-1.0	-60.04	313.21	6.72	-53.32
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952711	0	36	-1.0	-64.68	299.06	6.13	-58.55
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952712	0	43	-1.0	-66.07	346.47	4.43	-61.64
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010952713	0	44	-1.0	-48.66	358.59	4.49	-44.17
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010952714	0	40	-1.0	-48.61	331.82	5.86	-42.75
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952715	0	40	-1.0	-61.86	319.50	5.80	-56.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010952716	0	35	-1.0	-62.86	318.91	6.89	-55.97
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(OC)=C1	REAL300010952717	0	42	-1.0	-60.56	350.62	6.05	-54.51
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=CS1	REAL300010952718	0	38	-1.0	-64.45	309.31	6.03	-58.42
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1F	REAL300010952719	0	36	-1.0	-57.68	306.21	4.83	-52.85
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952720	0	43	-1.0	-55.41	354.22	4.97	-50.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952721	0	46	-1.0	-53.22	378.90	6.04	-47.18
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952722	0	41	-1.0	-49.52	311.16	6.43	-43.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010952723	0	46	-1.0	-50.68	378.36	8.20	-42.48
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952724	0	40	-1.0	-55.69	338.40	7.07	-48.62
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952725	0	44	0.0	-92.59	348.49	7.33	-85.26
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952726	0	40	-1.0	-62.86	322.60	5.85	-57.01
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2O1	REAL300010952727	0	47	-1.0	-57.96	393.75	8.12	-49.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010952728	0	35	-1.0	-61.83	307.65	6.16	-55.67
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952729	0	44	-1.0	-70.02	354.46	7.53	-62.49
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010952730	0	32	-1.0	-52.04	298.50	6.32	-45.72
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952731	0	32	-1.0	-42.17	291.18	4.99	-37.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010952732	0	38	-1.0	-47.83	310.60	5.31	-42.52
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952733	0	36	-1.0	-59.67	303.22	4.76	-54.91
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010952734	0	40	-1.0	-76.42	318.81	8.18	-68.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010952735	0	38	-1.0	-63.06	331.09	7.21	-55.85
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010952736	0	42	-1.0	-44.67	345.19	7.31	-37.36
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952737	0	35	-1.0	-58.41	304.74	6.61	-51.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010952738	0	37	-1.0	-59.21	311.71	5.81	-53.40
CC1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952739	0	38	-1.0	-67.31	320.65	6.97	-60.34
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952740	0	40	-1.0	-55.68	317.07	6.37	-49.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010952741	0	32	-1.0	-56.27	293.39	6.33	-49.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010952742	0	31	-1.0	-52.20	288.29	4.12	-48.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010952743	0	32	-1.0	-54.65	306.62	6.52	-48.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010952744	0	43	-1.0	-49.36	359.04	4.41	-44.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010952745	0	32	-1.0	-58.56	288.90	5.76	-52.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952746	0	42	-1.0	-52.73	323.24	6.61	-46.12
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952747	0	35	-1.0	-57.81	297.35	2.10	-55.71
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C#N	REAL300010952748	0	36	-1.0	-58.10	310.45	6.34	-51.76
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952749	0	38	-1.0	-57.15	329.77	6.13	-51.02
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952750	0	36	-1.0	-64.77	313.02	5.95	-58.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010952751	0	33	-1.0	-48.45	290.43	3.52	-44.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010952752	0	45	-1.0	-65.09	360.94	8.87	-56.22
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=NO1	REAL300010952753	0	43	-1.0	-67.53	352.05	6.26	-61.27
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C12	REAL300010952754	0	46	-1.0	-61.27	358.25	7.40	-53.87
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952755	0	39	-1.0	-65.79	307.41	5.26	-60.53
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952756	0	37	-1.0	-61.26	320.56	4.31	-56.95
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010952757	0	33	-1.0	-55.11	310.96	6.34	-48.77
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010952758	0	34	-1.0	-55.89	317.13	6.82	-49.07
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952759	0	39	-1.0	-62.89	323.23	5.79	-57.10
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952760	0	38	-1.0	-43.64	338.09	5.61	-38.03
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=N1	REAL300010952761	0	39	-1.0	-59.91	318.57	5.30	-54.61
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300010952762	0	40	-1.0	-58.42	335.07	4.99	-53.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010952763	0	36	-1.0	-58.40	315.95	5.09	-53.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010952764	0	35	-1.0	-56.90	314.82	6.50	-50.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952765	0	43	-1.0	-62.16	362.80	2.42	-59.74
CCOC(=O)C1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2S1	REAL300010952766	0	44	-1.0	-61.34	384.67	8.47	-52.87
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(CC#N)=C1	REAL300010952767	0	36	-1.0	-68.78	312.40	6.59	-62.19
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010952768	0	38	-1.0	-61.66	317.37	4.36	-57.30
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010952769	0	37	-1.0	-62.69	326.95	1.05	-61.64
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952770	0	38	-1.0	-58.07	328.50	6.12	-51.95
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952771	0	40	-1.0	-71.59	339.38	7.05	-64.54
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(Br)=C1	REAL300010952772	0	36	-1.0	-57.41	307.92	5.17	-52.24
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCO2	REAL300010952773	0	38	-1.0	-62.54	303.87	4.62	-57.92
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952774	0	38	-1.0	-45.25	314.25	5.94	-39.31
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010952775	0	32	-1.0	-54.75	293.21	6.29	-48.46
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952776	0	38	-1.0	-52.46	298.01	6.91	-45.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010952777	0	32	-1.0	-57.82	295.21	6.39	-51.43
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])OCC(=O)N2	REAL300010952778	0	42	-1.0	-65.58	347.08	2.67	-62.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010952779	0	34	-1.0	-55.24	317.80	6.61	-48.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)S1	REAL300010952780	0	30	-1.0	-55.46	281.08	4.98	-50.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010952781	0	34	-1.0	-52.07	314.44	6.51	-45.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010952782	0	32	-1.0	-54.99	291.57	6.45	-48.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010952783	0	33	-1.0	-63.14	293.52	4.01	-59.13
COC1=CN=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952784	0	35	-1.0	-59.35	295.19	2.92	-56.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010952785	0	32	-1.0	-58.82	294.14	6.07	-52.75
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1OC	REAL300010952786	0	42	-1.0	-60.58	352.53	6.16	-54.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010952787	0	32	-1.0	-54.39	295.26	6.39	-48.00
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010952788	0	35	-1.0	-65.41	312.67	6.80	-58.61
CC(=O)NC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952789	0	35	-1.0	-49.18	307.28	2.27	-46.91
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952789	1	34	-2.0	-107.96	304.01	1.14	-106.82
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010952790	0	35	-1.0	-65.34	317.24	6.91	-58.43
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010952791	0	36	-1.0	-62.89	321.75	2.73	-60.16
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952792	0	41	-1.0	-57.69	331.89	7.26	-50.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952793	0	40	-1.0	-48.38	326.17	2.90	-45.48
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010952794	0	36	-1.0	-62.68	326.31	2.84	-59.84
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952795	0	39	-1.0	-61.05	321.52	5.65	-55.40
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2O1	REAL300010952796	0	43	-1.0	-66.70	346.45	6.86	-59.84
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010952797	0	36	-1.0	-58.89	327.15	6.62	-52.27
CC1=CC=C(CCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952798	0	41	-1.0	-62.97	338.86	7.75	-55.22
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952799	0	39	-1.0	-63.16	339.55	6.09	-57.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010952800	0	35	-1.0	-61.98	295.54	4.20	-57.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010952801	0	33	-1.0	-58.71	300.80	6.09	-52.62
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010952802	0	33	-1.0	-59.87	302.12	6.20	-53.67
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952803	0	38	-1.0	-57.22	317.02	6.98	-50.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010952804	0	38	-1.0	-69.55	324.47	6.77	-62.78
COCCOCCOCCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952805	0	46	-1.0	-64.86	380.66	2.89	-61.97
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952806	0	42	-1.0	-73.36	356.63	2.90	-70.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010952807	0	32	-1.0	-64.10	287.39	6.09	-58.01
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2CC1	REAL300010952808	0	49	-1.0	-66.99	382.87	7.31	-59.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(F)(F)F	REAL300010952809	0	41	-1.0	-61.45	355.42	6.90	-54.55
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300010952810	0	42	-1.0	-56.07	361.66	7.24	-48.83
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952811	0	41	-1.0	-60.66	340.77	7.99	-52.67
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952812	0	41	-1.0	-60.35	336.66	7.69	-52.66
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952813	0	42	-1.0	-66.87	350.41	4.54	-62.33
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010952814	0	32	-1.0	-60.02	290.49	5.98	-54.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010952815	0	45	-1.0	-67.26	372.95	7.13	-60.13
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1Cl	REAL300010952816	0	41	-1.0	-56.23	362.86	7.43	-48.80
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010952817	0	34	-1.0	-55.99	309.67	6.95	-49.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010952818	0	41	-1.0	-68.50	331.36	2.65	-65.85
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952819	0	40	-1.0	-63.04	324.57	6.61	-56.43
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1OC	REAL300010952820	0	43	-1.0	-60.41	363.40	5.41	-55.00
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1C	REAL300010952821	0	44	-1.0	-60.08	366.18	7.57	-52.51
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952822	0	46	-1.0	-66.95	381.67	3.62	-63.33
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952823	0	43	-1.0	-67.13	351.02	5.10	-62.03
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952824	0	45	-1.0	-71.78	372.34	6.98	-64.80
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C	REAL300010952825	0	44	-1.0	-61.50	362.69	7.56	-53.94
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010952826	0	35	-1.0	-59.54	301.97	6.69	-52.85
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952827	0	44	-1.0	-67.93	368.97	7.78	-60.15
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952828	0	38	-1.0	-56.53	334.39	7.65	-48.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010952829	0	35	-1.0	-56.15	300.13	7.06	-49.09
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952830	0	48	-1.0	-65.56	373.61	6.91	-58.65
CC1=C(CCS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC=N1	REAL300010952831	0	37	-1.0	-62.52	320.96	4.79	-57.73
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010952832	0	38	-1.0	-62.18	334.16	7.58	-54.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952833	0	41	-1.0	-66.27	350.35	7.03	-59.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010952834	0	42	-1.0	-65.05	344.31	8.85	-56.20
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952835	0	46	-1.0	-61.64	389.27	3.22	-58.42
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300010952836	0	35	-1.0	-63.20	310.10	6.79	-56.41
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1C	REAL300010952837	0	44	-1.0	-54.45	364.92	5.94	-48.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010952838	0	38	-1.0	-66.71	341.00	3.37	-63.34
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010952839	0	36	-1.0	-64.79	315.68	6.22	-58.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010952840	0	35	-1.0	-62.27	304.29	6.36	-55.91
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952841	0	34	-1.0	-54.02	289.77	4.58	-49.44
CC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(Br)N1C	REAL300010952842	0	35	-1.0	-64.45	316.75	4.90	-59.55
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010952843	0	33	-1.0	-52.83	293.57	4.28	-48.55
COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952844	0	40	-1.0	-58.30	319.26	5.42	-52.88
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952845	0	45	-1.0	-67.95	364.91	6.31	-61.64
CCOC(=O)CC1(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1	REAL300010952846	0	41	-1.0	-45.23	322.93	6.16	-39.07
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010952847	0	33	-1.0	-55.15	314.06	6.37	-48.78
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952848	0	43	-1.0	-64.61	366.32	5.05	-59.56
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010952849	0	47	-1.0	-61.73	382.93	8.27	-53.46
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952850	0	44	-1.0	-63.60	374.32	4.67	-58.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010952851	0	37	-1.0	-59.65	316.46	2.63	-57.02
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCC1	REAL300010952852	0	44	-1.0	-56.07	338.05	6.57	-49.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010952853	0	31	-1.0	-52.51	301.87	4.63	-47.88
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952854	0	39	-1.0	-58.64	339.31	5.60	-53.04
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010952855	0	38	-1.0	-56.64	324.95	6.96	-49.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010952856	0	43	-1.0	-59.43	376.22	8.83	-50.60
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952857	0	41	-1.0	-68.27	347.11	6.87	-61.40
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010952858	0	34	-1.0	-66.43	299.74	5.30	-61.13
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300010952859	0	42	-1.0	-66.00	321.15	6.94	-59.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010952860	0	38	-1.0	-64.46	334.66	7.55	-56.91
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCC1	REAL300010952861	0	41	-1.0	-48.72	329.50	5.35	-43.37
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010952862	0	32	-1.0	-53.97	301.32	5.62	-48.35
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010952863	0	36	-1.0	-61.29	318.72	6.56	-54.73
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952864	0	45	-1.0	-66.42	377.35	5.73	-60.69
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952865	0	48	-1.0	-64.48	399.19	6.66	-57.82
COC(=O)C1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCCC1	REAL300010952866	0	47	-1.0	-68.60	350.05	7.57	-61.03
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN=C1C	REAL300010952867	0	40	-1.0	-55.81	336.33	4.77	-51.04
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010952868	0	36	-1.0	-56.94	319.44	5.25	-51.69
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952869	0	41	-1.0	-60.28	360.86	7.47	-52.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010952870	0	33	-1.0	-55.55	297.17	5.87	-49.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCOCC1	REAL300010952871	0	42	-1.0	-64.62	329.67	4.88	-59.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010952872	0	48	-1.0	-70.98	405.26	7.44	-63.54
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])S1	REAL300010952873	0	35	-1.0	-46.14	292.18	5.39	-40.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010952874	0	34	-1.0	-50.88	311.58	4.95	-45.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300010952875	0	45	-1.0	-65.60	329.92	7.55	-58.05
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010952876	0	41	-1.0	-62.85	334.91	7.04	-55.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010952877	0	33	-1.0	-55.48	302.66	4.92	-50.56
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010952878	0	38	-1.0	-65.09	326.12	7.13	-57.96
CN1C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010952879	0	35	-1.0	-55.67	299.18	3.92	-51.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010952880	0	34	-1.0	-46.74	306.05	6.94	-39.80
COC(=O)C1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C(F)C=C1C	REAL300010952881	0	41	-1.0	-59.97	344.32	6.64	-53.33
CC1=CC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=CC=C2N=C1Cl	REAL300010952882	0	40	-1.0	-60.36	346.49	6.82	-53.54
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300010952883	0	41	-1.0	-60.74	325.83	6.72	-54.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010952884	0	42	-1.0	-61.45	351.45	6.34	-55.11
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C(C)C)=C1	REAL300010952885	0	59	-1.0	-44.62	407.32	9.99	-34.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010952886	0	37	-1.0	-64.19	322.56	7.02	-57.17
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952887	0	44	-1.0	-64.15	370.60	7.85	-56.30
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952888	0	37	-1.0	-78.17	313.83	5.15	-73.02
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952889	0	39	-1.0	-57.30	336.06	5.67	-51.63
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300010952890	0	39	-1.0	-60.69	319.39	7.54	-53.15
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])CCC2=C1	REAL300010952891	0	44	-1.0	-48.31	348.83	6.50	-41.81
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010952892	0	40	-1.0	-60.88	331.56	6.42	-54.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010952893	0	35	-1.0	-50.01	301.03	6.04	-43.97
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010952894	0	35	-1.0	-49.78	316.71	6.90	-42.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010952895	0	35	-1.0	-62.77	323.33	6.99	-55.78
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010952896	0	41	-1.0	-79.08	356.65	3.80	-75.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300010952897	0	35	-1.0	-65.13	297.09	5.85	-59.28
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CCCCC1	REAL300010952898	0	44	-1.0	-63.30	338.53	7.26	-56.04
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C=C1	REAL300010952899	0	41	-1.0	-61.98	337.75	8.37	-53.61
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(Cl)C=CS1	REAL300010952900	0	29	-1.0	-63.78	279.42	5.01	-58.77
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952901	0	41	-1.0	-62.95	346.72	7.04	-55.91
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010952902	0	47	-1.0	-69.23	391.72	5.98	-63.25
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952903	0	45	-1.0	-68.45	366.38	5.78	-62.67
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010952904	0	35	-1.0	-63.49	312.82	6.74	-56.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010952905	0	38	-1.0	-62.62	318.85	7.72	-54.90
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(CC)=C1	REAL300010952906	0	50	-1.0	-43.77	353.71	8.71	-35.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300010952907	0	37	-1.0	-60.98	305.93	5.24	-55.74
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010952908	0	39	-1.0	-63.21	326.06	5.19	-58.02
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010952909	0	34	-1.0	-61.95	318.59	5.36	-56.59
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952910	0	40	-1.0	-64.71	341.57	5.27	-59.44
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010952911	0	40	-1.0	-54.40	341.37	4.00	-50.40
CC(C)(CCS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])S(C)(=O)=O	REAL300010952912	0	43	-1.0	-70.97	345.73	2.71	-68.26
COC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Cl	REAL300010952913	0	36	-1.0	-57.39	316.02	5.31	-52.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010952914	0	35	-1.0	-60.75	305.27	2.96	-57.79
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952915	0	45	-1.0	-52.64	357.74	5.40	-47.24
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300010952916	0	37	-1.0	-66.78	305.11	5.47	-61.31
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010952917	0	41	-1.0	-51.60	330.27	7.44	-44.16
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010952918	0	36	-1.0	-61.61	312.49	5.75	-55.86
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010952919	0	36	-1.0	-61.10	322.82	6.19	-54.91
COC(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1F	REAL300010952920	0	41	-1.0	-67.25	352.53	6.92	-60.33
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952921	0	45	-1.0	-65.17	366.59	7.10	-58.07
COC(CC(C)C)CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952922	0	44	-1.0	-65.46	346.13	5.23	-60.23
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952923	0	36	-1.0	-65.58	302.68	5.49	-60.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010952924	0	35	-1.0	-61.68	328.75	7.32	-54.36
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1CCOC1	REAL300010952925	0	42	-1.0	-66.14	334.14	4.89	-61.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010952926	0	35	-1.0	-60.36	326.82	7.30	-53.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010952927	0	35	-1.0	-53.88	310.07	4.54	-49.34
CCC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010952928	0	40	-1.0	-65.26	333.29	7.27	-57.99
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952929	0	48	-1.0	-67.27	372.09	7.80	-59.47
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010952930	0	39	-1.0	-67.67	336.18	7.43	-60.24
COC1=NC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952931	0	35	-1.0	-54.39	313.80	2.66	-51.73
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1	REAL300010952932	0	41	-1.0	-57.03	350.33	7.05	-49.98
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952933	0	41	-1.0	-60.19	364.32	7.11	-53.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010952934	0	35	-1.0	-62.16	310.66	6.78	-55.38
CC1=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CC=C1Cl	REAL300010952935	0	35	-1.0	-57.62	305.60	6.52	-51.10
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010952936	0	38	-1.0	-71.75	318.17	6.42	-65.33
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2)=N1	REAL300010952937	0	41	-1.0	-59.60	356.85	6.92	-52.68
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300010952938	0	38	-1.0	-58.02	343.26	6.58	-51.44
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952939	0	41	-1.0	-66.01	348.70	6.73	-59.28
CC1=C(Br)C=CC=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952940	0	38	-1.0	-62.89	327.34	7.31	-55.58
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCC1CCOCC1	REAL300010952941	0	45	-1.0	-64.83	350.84	5.63	-59.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010952942	0	47	-1.0	-41.31	377.13	2.52	-38.79
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010952943	0	40	-1.0	-53.98	315.98	6.10	-47.88
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010952944	0	39	-1.0	-67.44	335.27	3.30	-64.14
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010952945	0	32	-1.0	-54.46	293.09	6.01	-48.45
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC(Br)=C1	REAL300010952946	0	32	-1.0	-57.98	303.07	5.89	-52.09
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010952947	0	41	-1.0	-51.84	325.80	5.21	-46.63
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952948	0	42	-1.0	-57.99	339.07	4.24	-53.75
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010952949	0	38	-1.0	-62.59	324.20	7.18	-55.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1F	REAL300010952950	0	38	-1.0	-66.16	322.88	7.10	-59.06
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010952951	0	38	-1.0	-64.85	331.18	7.49	-57.36
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952952	0	36	-1.0	-59.79	322.82	6.04	-53.75
COC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C(=O)NCCC2	REAL300010952953	0	47	-1.0	-76.64	371.85	4.45	-72.19
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])S2)C1	REAL300010952954	0	43	-1.0	-48.70	352.46	5.24	-43.46
CC1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010952955	0	39	-1.0	-49.84	336.80	7.23	-42.61
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCOC1	REAL300010952956	0	43	-1.0	-62.87	335.80	3.36	-59.51
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010952957	0	35	-1.0	-60.46	316.51	6.86	-53.60
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010952958	0	35	-1.0	-61.35	313.81	6.78	-54.57
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010952959	0	32	-1.0	-54.57	305.52	6.49	-48.08
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952960	0	39	-1.0	-66.38	323.39	2.81	-63.57
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952961	0	57	-1.0	-59.87	450.97	10.38	-49.49
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1	REAL300010952962	0	47	-1.0	-64.41	379.98	7.77	-56.64
COC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010952963	0	46	-1.0	-63.57	378.24	8.49	-55.08
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010952964	0	46	-1.0	-58.79	387.96	8.80	-49.99
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C2)=N1	REAL300010952965	0	44	-1.0	-66.99	355.91	5.08	-61.91
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010952966	0	42	-1.0	-64.85	354.90	6.39	-58.46
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010952967	0	44	-1.0	-62.94	354.70	6.86	-56.08
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])N(C)N=C1	REAL300010952968	0	38	-1.0	-50.29	305.50	3.69	-46.60
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1Cl	REAL300010952969	0	40	-1.0	-59.12	349.17	4.23	-54.89
COC(=O)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=CC=C12	REAL300010952970	0	44	-1.0	-61.78	354.94	8.06	-53.72
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C	REAL300010952971	0	43	-1.0	-61.03	354.20	4.55	-56.48
CCOC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CC1	REAL300010952972	0	42	-1.0	-64.74	336.88	5.79	-58.95
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1F	REAL300010952973	0	38	-1.0	-58.18	332.94	6.14	-52.04
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])=C(Cl)C=C21	REAL300010952974	0	43	-1.0	-64.10	355.69	6.83	-57.27
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952975	0	45	-1.0	-61.12	360.29	7.09	-54.03
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCCC1	REAL300010952976	0	45	-1.0	-63.73	342.13	5.75	-57.98
COC(CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])C1CCCCC1	REAL300010952977	0	48	-1.0	-63.20	364.95	6.61	-56.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010952978	0	35	-1.0	-43.63	302.06	4.28	-39.35
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C=C1C(C)C	REAL300010952979	0	51	-1.0	-60.74	401.95	8.49	-52.25
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010952980	0	35	-1.0	-61.17	314.76	4.52	-56.65
COC1=CC(F)=CC=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952981	0	36	-1.0	-59.86	302.36	5.45	-54.41
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010952982	0	40	-1.0	-55.71	326.22	7.52	-48.19
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952983	0	39	-1.0	-46.96	307.44	4.46	-42.50
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010952984	0	45	-1.0	-48.36	366.69	7.00	-41.36
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])O1	REAL300010952985	0	38	-1.0	-51.79	322.32	4.98	-46.81
CCC1=NC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=CN1CC1CC1	REAL300010952986	0	45	-1.0	-64.17	371.85	7.50	-56.67
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCC[C@@]3(C)C(=O)[O-])C=C2C1	REAL300010952987	0	43	-1.0	-69.74	353.92	5.94	-63.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952988	0	35	-1.0	-54.32	315.11	4.14	-50.18
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010952989	0	43	-1.0	-60.14	370.47	9.53	-50.61
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952990	0	35	-1.0	-58.81	304.75	6.61	-52.20
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010952991	0	42	-1.0	-65.15	329.82	8.64	-56.51
CC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952992	0	38	-1.0	-63.02	331.49	7.46	-55.56
COC1=CC=CC(Br)=C1CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-]	REAL300010952993	0	39	-1.0	-66.11	339.71	6.18	-59.93
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010952994	0	38	-1.0	-66.04	328.06	7.12	-58.92
CC1=CC=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)=C1F	REAL300010952995	0	35	-1.0	-58.75	300.30	6.16	-52.59
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010952996	0	31	-1.0	-53.98	290.07	4.08	-49.90
CC(C)OC1=CN=CC(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])=C1	REAL300010952997	0	41	-1.0	-56.23	335.57	4.55	-51.68
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010952998	0	38	-1.0	-52.69	323.79	3.28	-49.41
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010952999	0	39	-1.0	-58.62	345.58	4.74	-53.88
COC(=O)C1=C(S(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])OC=C1	REAL300010953000	0	35	-1.0	-70.65	307.71	4.60	-66.05
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1F	REAL300010953893	0	39	-1.0	-63.93	321.83	5.64	-58.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010953894	0	39	-1.0	-62.28	331.81	5.91	-56.37
COC(=O)C1CCCCC1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953895	0	44	-1.0	-67.28	330.03	6.47	-60.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953896	0	47	-1.0	-61.08	355.43	6.19	-54.89
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953897	0	40	-1.0	-69.92	345.94	7.63	-62.29
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953898	0	40	-1.0	-43.61	319.76	6.42	-37.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010953899	0	37	-1.0	-51.52	323.64	5.32	-46.20
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)O1	REAL300010953900	0	29	-1.0	-58.19	276.24	4.30	-53.89
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C#N)CCCCC1	REAL300010953901	0	42	-1.0	-68.30	325.14	6.38	-61.92
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300010953902	0	44	-1.0	-62.73	319.96	6.99	-55.74
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953903	0	36	-1.0	-58.16	318.16	5.29	-52.87
CCOC(=O)C1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN1C	REAL300010953904	0	42	-1.0	-67.01	352.31	6.49	-60.52
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010953905	0	45	-1.0	-71.96	381.71	6.62	-65.34
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=C12	REAL300010953906	0	39	-1.0	-56.97	328.81	3.04	-53.93
CCC1=NC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953907	0	34	-1.0	-47.52	292.95	3.21	-44.31
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010953908	0	44	-1.0	-60.50	351.80	6.80	-53.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010953909	0	32	-1.0	-65.49	281.42	6.01	-59.48
CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(Cl)=N1	REAL300010953910	0	34	-1.0	-46.49	289.93	3.80	-42.69
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953911	0	37	-1.0	-45.22	312.24	5.04	-40.18
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010953912	0	39	-1.0	-50.13	328.63	6.33	-43.80
CSC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953913	0	36	-1.0	-56.57	322.65	6.83	-49.74
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010953914	0	34	-1.0	-55.03	307.56	5.81	-49.22
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953915	0	42	-1.0	-72.61	353.47	2.08	-70.53
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CN=C1Cl	REAL300010953916	0	35	-1.0	-54.86	308.38	3.30	-51.56
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C21	REAL300010953917	0	41	-1.0	-58.21	343.36	6.33	-51.88
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010953918	0	47	-1.0	-58.12	381.20	5.80	-52.32
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010953919	0	31	-1.0	-53.36	289.41	5.21	-48.15
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953920	0	50	0.0	-84.54	379.90	6.39	-78.15
CCC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953921	0	41	-1.0	-63.75	336.86	7.69	-56.06
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953922	0	38	-1.0	-65.38	320.60	6.96	-58.42
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953923	0	35	-1.0	-46.12	296.51	5.84	-40.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010953924	0	36	-1.0	-51.81	299.36	4.59	-47.22
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010953925	0	32	-1.0	-43.35	291.37	5.40	-37.95
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953926	0	40	-1.0	-69.38	320.97	5.86	-63.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1C	REAL300010953927	0	59	-1.0	-57.45	450.94	9.75	-47.70
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010953928	0	41	-1.0	-61.11	330.90	6.89	-54.22
CC1=CC=CC(F)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953929	0	35	-1.0	-66.57	282.79	6.14	-60.43
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953930	0	46	-1.0	-66.61	389.72	6.81	-59.80
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010953931	0	33	-1.0	-46.68	293.95	5.43	-41.25
CC1=NC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CS1	REAL300010953932	0	34	-1.0	-64.18	300.45	3.94	-60.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010953933	0	35	-1.0	-63.92	313.15	4.47	-59.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010953934	0	38	-1.0	-58.20	334.49	8.25	-49.95
COC(=O)CCCCCS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953935	0	43	-1.0	-68.88	353.99	6.37	-62.51
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CN=C21	REAL300010953936	0	37	-1.0	-59.60	314.69	4.55	-55.05
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953937	0	40	-1.0	-61.82	334.61	3.58	-58.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010953939	0	35	-1.0	-54.83	323.21	6.91	-47.92
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953940	0	43	-1.0	-75.50	344.51	3.84	-71.66
COC1=C(F)C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953941	0	38	-1.0	-52.34	330.89	6.20	-46.14
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953942	0	42	-1.0	-54.62	358.17	4.72	-49.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010953943	0	43	-1.0	-68.25	366.30	7.18	-61.07
COC1=CC=C(CCS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953944	0	42	-1.0	-62.41	344.86	6.34	-56.07
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010953945	0	35	-1.0	-42.24	300.93	3.51	-38.73
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010953946	0	43	-1.0	-64.32	353.62	6.95	-57.37
CC1=CC=NC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C12	REAL300010953947	0	40	-1.0	-56.76	321.66	6.31	-50.45
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010953948	0	35	-1.0	-67.36	301.70	6.31	-61.05
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010953949	0	35	-1.0	-42.46	308.81	5.78	-36.68
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953950	0	35	-1.0	-57.01	310.19	6.65	-50.36
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953951	0	36	-1.0	-51.75	295.69	5.51	-46.24
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953952	0	43	-1.0	-71.55	345.50	5.27	-66.28
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010953953	0	44	-1.0	-50.11	348.71	4.20	-45.91
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010953954	0	40	-1.0	-48.60	331.83	5.85	-42.75
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953955	0	40	-1.0	-62.07	319.02	5.78	-56.29
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010953956	0	35	-1.0	-63.74	316.48	6.83	-56.91
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(OC)=C1	REAL300010953957	0	42	-1.0	-48.06	346.17	5.30	-42.76
COC(=O)C1=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=CS1	REAL300010953958	0	38	-1.0	-68.48	315.14	5.93	-62.55
COC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1F	REAL300010953959	0	36	-1.0	-56.00	303.17	4.74	-51.26
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953960	0	43	-1.0	-69.18	357.07	5.74	-63.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953961	0	46	-1.0	-66.13	383.52	6.91	-59.22
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953962	0	41	-1.0	-66.93	326.00	7.55	-59.38
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010953963	0	46	-1.0	-64.53	382.15	9.08	-55.45
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953964	0	40	-1.0	-69.07	345.92	7.64	-61.43
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953965	0	44	0.0	-91.14	345.98	7.30	-83.84
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300010953966	0	40	-1.0	-62.94	323.42	5.87	-57.07
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])=CC=C2O1	REAL300010953967	0	47	-1.0	-59.29	393.97	8.10	-51.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300010953968	0	35	-1.0	-62.66	307.64	6.17	-56.49
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953969	0	44	-1.0	-61.42	364.33	7.88	-53.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010953970	0	32	-1.0	-40.54	295.35	5.62	-34.92
CC1=C(Cl)SC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953971	0	32	-1.0	-56.81	298.35	5.69	-51.12
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010953972	0	38	-1.0	-59.95	316.54	5.99	-53.96
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300010953973	0	36	-1.0	-46.78	299.54	4.07	-42.71
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010953974	0	40	-1.0	-61.30	318.52	8.06	-53.24
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010953975	0	38	-1.0	-63.02	331.93	7.24	-55.78
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010953976	0	42	-1.0	-43.32	346.50	7.29	-36.03
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953977	0	35	-1.0	-56.24	314.72	6.98	-49.26
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010953978	0	37	-1.0	-58.40	308.63	5.73	-52.67
CC1=CC=C(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C(F)=C1	REAL300010953979	0	38	-1.0	-67.27	320.59	6.97	-60.30
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010953980	0	40	-1.0	-58.48	331.98	7.49	-50.99
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010953981	0	32	-1.0	-44.12	290.02	5.57	-38.55
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010953982	0	31	-1.0	-51.31	285.33	4.01	-47.30
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010953983	0	32	-1.0	-56.26	303.53	6.43	-49.83
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010953984	0	43	-1.0	-53.89	364.09	5.20	-48.69
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010953985	0	32	-1.0	-58.77	289.65	5.75	-53.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953986	0	42	-1.0	-65.50	326.62	6.91	-58.59
COC1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=N1	REAL300010953987	0	35	-1.0	-43.35	289.62	1.39	-41.96
CC1=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1C#N	REAL300010953988	0	36	-1.0	-56.91	307.41	6.26	-50.65
COC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1F	REAL300010953989	0	38	-1.0	-60.71	326.68	6.05	-54.66
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@]1(C)C(=O)[O-]	REAL300010953990	0	36	-1.0	-51.38	308.89	5.19	-46.19
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010953991	0	33	-1.0	-56.42	296.64	4.19	-52.23
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010953992	0	45	-1.0	-66.22	357.39	8.79	-57.43
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=NO1	REAL300010953993	0	43	-1.0	-67.55	352.01	6.28	-61.27
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@]3(C)C(=O)[O-])C=CC=C12	REAL300010953994	0	46	-1.0	-52.19	354.54	6.62	-45.57
COC1=CC=C(C)C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953995	0	39	-1.0	-62.99	317.13	5.61	-57.38
COC(=O)C1=CN=CC(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])=C1	REAL300010953996	0	37	-1.0	-56.90	317.53	4.19	-52.71
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010953997	0	33	-1.0	-54.03	307.93	6.27	-47.76
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010953998	0	34	-1.0	-45.43	313.72	6.10	-39.33
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1Cl	REAL300010953999	0	39	-1.0	-60.07	333.20	6.16	-53.91
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])S1	REAL300010954000	0	38	-1.0	-56.94	345.69	6.30	-50.64
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1F	REAL300010955110	0	36	-1.0	-54.04	298.31	3.81	-50.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCC1	REAL300010955111	0	36	-1.0	-57.76	311.53	4.23	-53.53
COC(=O)C1CCCCC1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955112	0	41	-1.0	-50.70	319.06	4.81	-45.89
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955113	0	44	-1.0	-44.24	339.44	3.96	-40.28
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955114	0	37	-1.0	-52.37	320.88	5.87	-46.50
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955115	0	36	-1.0	-60.19	303.82	2.59	-57.60
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955116	0	37	-1.0	-51.13	307.59	5.62	-45.51
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CCC1	REAL300010955117	0	34	-1.0	-60.31	307.09	4.17	-56.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(I)C=C2)CCC1	REAL300010955118	0	29	-1.0	-52.78	274.90	4.78	-48.00
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCC1	REAL300010955119	0	31	-1.0	-59.43	266.44	5.17	-54.26
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010955120	0	26	-1.0	-42.75	252.78	2.31	-40.44
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)O2)CCC1	REAL300010955120	1	25	-2.0	-122.13	254.06	2.58	-119.55
N#CC1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CCCCC1	REAL300010955121	0	39	-1.0	-41.16	302.09	4.14	-37.02
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCC1	REAL300010955122	0	31	-1.0	-51.61	275.33	4.35	-47.26
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955123	0	33	-1.0	-55.44	297.90	3.61	-51.83
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN1C	REAL300010955124	0	39	-1.0	-65.98	330.46	4.71	-61.27
O=C([O-])C1(NS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CCC1	REAL300010955125	0	42	-1.0	-66.51	359.26	4.92	-61.59
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C12	REAL300010955126	0	36	-1.0	-48.69	308.38	1.40	-47.29
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CCC1	REAL300010955127	0	41	-1.0	-57.74	331.45	5.13	-52.61
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300010955128	0	29	-1.0	-43.72	263.80	3.96	-39.76
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CCC1	REAL300010955128	1	28	-2.0	-133.66	265.87	4.59	-129.07
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(Cl)=N1	REAL300010955129	0	31	-1.0	-42.75	279.57	2.39	-40.36
COC1=CC(C#N)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955130	0	34	-1.0	-56.19	298.71	3.91	-52.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CCC1	REAL300010955131	0	36	-1.0	-54.27	298.66	5.62	-48.65
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955132	0	33	-1.0	-52.20	302.31	5.15	-47.05
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955133	0	31	-1.0	-50.44	285.92	4.03	-46.41
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955134	0	39	-1.0	-66.38	331.61	0.36	-66.02
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN=C1Cl	REAL300010955135	0	32	-1.0	-52.36	287.99	1.56	-50.80
CCN1C(=O)OC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C21	REAL300010955136	0	38	-1.0	-45.77	322.23	4.14	-41.63
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCC1	REAL300010955137	0	44	-1.0	-60.83	360.86	4.12	-56.71
O=C([O-])C1(NS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CCC1	REAL300010955138	0	28	-1.0	-58.71	268.44	3.45	-55.26
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955139	0	47	0.0	-57.31	365.17	4.24	-53.07
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955140	0	35	-1.0	-60.52	298.14	5.25	-55.27
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955141	0	32	-1.0	-55.11	285.13	5.08	-50.03
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCC1	REAL300010955142	0	33	-1.0	-59.94	288.08	3.80	-56.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2F)CCC1	REAL300010955143	0	29	-1.0	-55.62	263.59	4.07	-51.55
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955144	0	37	-1.0	-63.58	299.63	4.03	-59.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C	REAL300010955145	0	56	-1.0	-43.65	436.17	7.59	-36.06
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCC1	REAL300010955146	0	38	-1.0	-58.75	309.05	5.05	-53.70
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955147	0	43	-1.0	-44.98	368.97	4.28	-40.70
N#CC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955148	0	30	-1.0	-39.75	283.58	4.08	-35.67
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCC1	REAL300010955149	0	32	-1.0	-44.49	290.45	2.16	-42.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CCC1	REAL300010955150	0	44	-1.0	-69.25	345.65	4.19	-65.06
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CCC1	REAL300010955151	0	35	-1.0	-55.42	314.27	6.56	-48.86
COC(=O)CCCCCS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955152	0	40	-1.0	-62.79	331.46	4.69	-58.10
CN1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CN=C21	REAL300010955153	0	34	-1.0	-45.71	290.63	2.23	-43.48
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)S1	REAL300010955154	0	31	-2.0	-121.26	315.28	4.28	-116.98
COC(=O)C1=CC(Br)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955154	1	32	-1.0	-38.79	310.84	3.77	-35.02
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955155	0	37	-1.0	-56.93	314.64	1.92	-55.01
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CCC1	REAL300010955157	0	32	-1.0	-36.52	301.77	4.67	-31.85
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955158	0	40	-1.0	-40.48	301.59	0.82	-39.66
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955159	0	34	-1.0	-61.74	308.12	5.58	-56.16
COC1=C(F)C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010955160	0	35	-1.0	-48.14	310.60	4.51	-43.63
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010955161	0	39	-1.0	-51.40	338.10	3.02	-48.38
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)CCC1	REAL300010955162	0	40	-1.0	-68.45	346.07	5.51	-62.94
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955163	0	39	-1.0	-58.14	322.42	4.64	-53.50
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CCC1	REAL300010955164	0	44	-1.0	-63.11	372.70	5.05	-58.06
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCC1	REAL300010955165	0	32	-1.0	-40.73	284.46	1.96	-38.77
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCC1	REAL300010955166	0	40	-1.0	-44.09	327.89	4.57	-39.52
CC1=CC=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=CC=C12	REAL300010955167	0	37	-1.0	-63.77	288.63	5.49	-58.28
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(OC)C=C1Br	REAL300010955168	0	37	-1.0	-52.17	308.96	3.85	-48.32
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)F)=C2)CCC1	REAL300010955169	0	32	-1.0	-55.09	279.29	4.55	-50.54
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CCC1	REAL300010955170	0	32	-1.0	-54.97	281.05	4.46	-50.51
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955171	0	32	-1.0	-40.73	289.01	4.45	-36.28
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955172	0	33	-1.0	-61.17	285.74	4.84	-56.33
CC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Br	REAL300010955173	0	36	-1.0	-59.13	321.44	3.36	-55.77
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955174	0	40	-1.0	-68.18	328.51	3.89	-64.29
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCC1	REAL300010955175	0	41	-1.0	-56.71	338.46	3.78	-52.93
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CCC1	REAL300010955176	0	35	-1.0	-54.76	327.65	1.81	-52.95
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCC1	REAL300010955177	0	37	-1.0	-53.39	316.60	4.86	-48.53
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010955178	0	39	-1.0	-51.40	338.10	3.02	-48.38
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)CCC1	REAL300010955179	0	32	-1.0	-38.21	292.70	4.49	-33.72
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(OC)=C1	REAL300010955180	0	39	-1.0	-56.53	332.65	4.18	-52.35
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=CS1	REAL300010955181	0	35	-1.0	-59.38	304.15	4.86	-54.52
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1F	REAL300010955182	0	33	-1.0	-52.14	282.68	3.06	-49.08
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955183	0	40	-1.0	-49.68	340.84	3.26	-46.42
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955184	0	43	-1.0	-45.74	364.75	4.39	-41.35
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCC1	REAL300010955185	0	43	-1.0	-60.70	364.73	7.05	-53.65
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955186	0	37	-1.0	-44.30	319.82	5.25	-39.05
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CCC1	REAL300010955187	0	29	-1.0	-50.65	291.19	4.87	-45.78
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CCC1	REAL300010955187	1	28	-2.0	-122.89	291.28	4.98	-117.91
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955188	0	41	0.0	-86.69	325.77	5.55	-81.14
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C2O1	REAL300010955189	0	44	-1.0	-55.44	370.66	6.36	-49.08
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955190	0	41	-1.0	-49.51	341.77	5.61	-43.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300010955191	0	29	-1.0	-48.20	284.79	4.88	-43.32
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CCC1	REAL300010955191	1	28	-2.0	-119.47	284.84	4.96	-114.51
CC1=C(Cl)SC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955192	0	29	-1.0	-39.74	275.52	3.47	-36.27
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCC1	REAL300010955193	0	35	-1.0	-56.21	294.40	4.21	-52.00
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955194	0	33	-1.0	-58.13	271.77	2.76	-55.37
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1[N+](=O)[O-]	REAL300010955195	0	37	-1.0	-57.15	303.88	6.46	-50.69
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCC1	REAL300010955196	0	35	-1.0	-58.06	308.17	5.47	-52.59
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1[N+](=O)[O-]	REAL300010955197	0	39	-1.0	-38.88	333.08	6.01	-32.87
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955198	0	32	-1.0	-55.94	290.76	5.13	-50.81
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCC1	REAL300010955199	0	34	-1.0	-54.27	288.38	4.05	-50.22
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955200	0	35	-1.0	-63.28	298.14	5.25	-58.03
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010955201	0	37	-1.0	-44.47	305.04	5.04	-39.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2Br)CCC1	REAL300010955202	0	29	-1.0	-39.38	281.42	4.29	-35.09
O=C([O-])C1(NS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955203	0	31	-1.0	-49.74	293.43	5.83	-43.91
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955203	1	30	-2.0	-122.55	293.78	5.97	-116.58
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1[N+](=O)[O-]	REAL300010955204	0	39	-1.0	-38.88	333.08	6.01	-32.87
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(F)=C2)CCC1	REAL300010955205	0	28	-1.0	-48.38	264.87	2.28	-46.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CCC1	REAL300010955206	0	29	-1.0	-49.51	283.24	4.76	-44.75
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCC1	REAL300010955207	0	40	-1.0	-45.71	342.84	2.97	-42.74
O=C([O-])C1([N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CCC1	REAL300010955208	0	28	-2.0	-125.69	272.32	4.06	-121.63
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955209	0	39	-1.0	-61.44	311.75	5.30	-56.14
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955210	0	35	-1.0	-51.64	306.42	4.38	-47.26
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955211	0	33	-1.0	-53.36	275.74	4.39	-48.97
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(F)(F)F)=C2)CCC1	REAL300010955212	0	30	-1.0	-58.83	274.95	2.46	-56.37
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCC1	REAL300010955213	0	42	-1.0	-58.67	336.41	7.12	-51.55
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCC2)=NO1	REAL300010955214	0	40	-1.0	-62.87	329.54	4.57	-58.30
O=C([O-])C1(NC(=O)N2CCC(CC3=CC=CC=C3)CC2)CCC1	REAL300010955215	0	46	-1.0	-61.78	352.82	10.22	-51.56
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=CC=C12	REAL300010955216	0	43	-1.0	-46.85	344.36	5.27	-41.58
COC(=O)C1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955217	0	34	-1.0	-53.19	297.09	2.45	-50.74
N#CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Br	REAL300010955218	0	30	-1.0	-49.46	287.60	4.59	-44.87
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300010955219	0	31	-1.0	-38.78	303.45	4.73	-34.05
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CCC1	REAL300010955219	1	30	-2.0	-119.26	303.47	5.47	-113.79
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955220	0	36	-1.0	-43.96	311.52	3.96	-40.00
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955221	0	35	-1.0	-40.21	324.80	4.26	-35.95
COC1=CC(Cl)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OC	REAL300010955222	0	37	-1.0	-55.60	321.43	3.54	-52.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CCC1	REAL300010955223	0	33	-1.0	-53.94	292.44	3.33	-50.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CCC1	REAL300010955224	0	32	-1.0	-53.86	291.44	4.74	-49.12
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300010955225	0	40	-1.0	-59.38	339.53	0.66	-58.72
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C2S1	REAL300010955226	0	41	-1.0	-54.20	361.75	6.73	-47.47
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)CCC1	REAL300010955227	0	35	-1.0	-54.14	300.23	2.34	-51.80
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300010955228	0	34	-1.0	-52.12	303.09	-1.27	-53.39
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955229	0	35	-1.0	-56.17	297.01	4.12	-52.05
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955230	0	37	-1.0	-69.26	325.83	5.60	-63.66
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(Br)=C1	REAL300010955231	0	33	-1.0	-41.56	293.98	3.26	-38.30
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1)OCO2	REAL300010955232	0	35	-1.0	-45.35	287.15	2.50	-42.85
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CCC1	REAL300010955233	0	35	-1.0	-41.17	313.52	4.23	-36.94
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955234	0	35	-1.0	-51.50	300.05	4.88	-46.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Cl)CCC1	REAL300010955235	0	29	-1.0	-38.44	277.95	4.33	-34.11
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955236	0	35	-1.0	-51.65	284.56	5.43	-46.22
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2Br)CCC1	REAL300010955237	0	29	-1.0	-39.56	283.21	4.34	-35.22
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1)OCC(=O)N2	REAL300010955238	0	39	-1.0	-54.79	309.75	1.09	-53.70
O=C([O-])C1([N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCC1	REAL300010955239	0	30	-2.0	-120.92	299.71	5.08	-115.84
O=C([O-])C1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CCC1	REAL300010955239	1	31	-1.0	-51.94	299.46	4.96	-46.98
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCC1	REAL300010955240	0	31	-1.0	-47.98	295.73	4.84	-43.14
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CCC1	REAL300010955240	1	30	-2.0	-115.26	295.83	4.95	-110.31
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300010955241	0	29	-1.0	-50.67	277.12	4.93	-45.74
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CCC1	REAL300010955241	1	28	-2.0	-119.29	279.90	5.17	-114.12
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CCC1	REAL300010955242	0	30	-1.0	-56.89	274.44	1.99	-54.90
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2F)CCC1	REAL300010955243	0	29	-1.0	-59.61	262.75	4.06	-55.55
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OC	REAL300010955244	0	39	-1.0	-54.50	329.03	4.40	-50.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2Br)CCC1	REAL300010955245	0	29	-1.0	-38.17	281.23	4.47	-33.70
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CCC1	REAL300010955246	0	32	-1.0	-60.05	288.80	5.03	-55.02
CC(=O)NC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955247	0	32	-1.0	-49.17	291.53	0.72	-48.45
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300010955247	1	31	-2.0	-100.81	288.32	0.05	-100.76
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCC1	REAL300010955248	0	32	-1.0	-59.98	293.36	5.13	-54.85
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955249	0	33	-1.0	-46.33	297.55	0.46	-45.87
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955250	0	38	-1.0	-62.10	314.90	6.12	-55.98
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955251	0	37	-1.0	-46.68	313.57	1.27	-45.41
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955252	0	33	-1.0	-46.24	302.11	0.56	-45.68
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=C2O1	REAL300010955253	0	40	-1.0	-45.88	321.84	4.33	-41.55
N#CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1C(F)(F)F	REAL300010955254	0	33	-1.0	-55.98	303.78	4.87	-51.11
COCCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955255	0	38	-1.0	-56.17	313.63	2.59	-53.58
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955256	0	36	-1.0	-59.07	318.47	4.34	-54.73
N#CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955257	0	30	-1.0	-39.44	287.31	3.89	-35.55
N#CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955258	0	30	-1.0	-39.29	288.97	3.98	-35.31
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955259	0	35	-1.0	-54.44	302.92	5.48	-48.96
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955260	0	46	-1.0	-56.84	383.90	3.40	-53.44
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)CCC1	REAL300010955261	0	35	-1.0	-50.44	310.85	4.65	-45.79
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955262	0	43	-1.0	-58.09	356.14	1.14	-56.95
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955263	0	39	-1.0	-72.26	338.60	1.04	-71.22
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300010955264	0	28	-2.0	-124.86	273.60	4.49	-120.37
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CCC1	REAL300010955264	1	29	-1.0	-61.74	268.36	4.49	-57.25
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2CC1	REAL300010955265	0	46	-1.0	-67.00	360.26	5.65	-61.35
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(F)(F)F	REAL300010955266	0	38	-1.0	-59.18	332.04	5.15	-54.03
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1OC	REAL300010955267	0	39	-1.0	-43.79	341.61	4.93	-38.86
CCCC1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955268	0	38	-1.0	-42.76	327.15	5.90	-36.86
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955269	0	38	-1.0	-42.76	322.98	5.61	-37.15
CNC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955270	0	39	-1.0	-46.81	326.97	2.22	-44.59
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955271	0	43	-1.0	-51.44	364.96	4.26	-47.18
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300010955272	0	29	-1.0	-55.64	258.88	3.97	-51.67
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CCC1	REAL300010955272	1	28	-2.0	-130.85	271.93	4.42	-126.43
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCC1	REAL300010955273	0	42	-1.0	-59.88	348.44	5.39	-54.49
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(F)C=C1Cl	REAL300010955274	0	38	-1.0	-52.45	331.27	5.42	-47.03
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(F)C=C1Cl	REAL300010955274	1	37	-2.0	-123.87	344.32	5.88	-117.99
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCC1	REAL300010955275	0	31	-1.0	-49.66	288.50	5.29	-44.37
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CCC1	REAL300010955275	1	30	-2.0	-118.53	298.79	5.48	-113.05
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCC1	REAL300010955276	0	38	-1.0	-47.00	308.64	0.42	-46.58
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955277	0	36	-2.0	-124.14	319.47	4.65	-119.49
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1OC	REAL300010955278	0	40	-1.0	-47.14	343.26	3.10	-44.04
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(F)C=C1C	REAL300010955279	0	41	-1.0	-56.02	347.56	5.90	-50.12
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955280	0	43	-1.0	-72.61	358.53	1.89	-70.72
COCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955281	0	40	-1.0	-63.26	332.99	3.23	-60.03
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955282	0	42	-1.0	-56.92	335.52	5.44	-51.48
CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1C	REAL300010955283	0	41	-1.0	-53.19	340.04	5.79	-47.40
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CCC1	REAL300010955284	0	32	-1.0	-56.12	286.20	5.08	-51.04
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955285	0	41	-1.0	-62.81	345.92	6.04	-56.77
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955286	0	35	-1.0	-57.32	322.20	6.10	-51.22
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955286	1	34	-2.0	-129.90	327.08	5.85	-124.05
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CCC1	REAL300010955287	0	32	-1.0	-39.01	289.68	5.10	-33.91
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955288	0	45	-1.0	-57.83	347.70	5.24	-52.59
CC1=C(CCS(=O)(=O)NC2(C(=O)[O-])CCC2)SC=N1	REAL300010955289	0	34	-1.0	-42.65	295.97	2.46	-40.19
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCC1	REAL300010955290	0	35	-1.0	-55.53	309.65	5.85	-49.68
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955291	0	38	-1.0	-63.36	331.68	5.37	-57.99
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCC1	REAL300010955292	0	39	-1.0	-62.39	321.19	7.10	-55.29
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955293	0	43	-1.0	-57.33	366.33	1.48	-55.85
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CCC1	REAL300010955294	0	32	-1.0	-44.19	286.98	4.48	-39.71
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN1C	REAL300010955295	0	41	-1.0	-63.56	349.46	4.91	-58.65
CS(=O)(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Cl	REAL300010955296	0	35	-1.0	-56.31	317.47	1.62	-54.69
O=C([O-])C1(NS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CCC1	REAL300010955297	0	33	-1.0	-42.37	295.31	4.04	-38.33
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)F)C=C2)CCC1	REAL300010955298	0	32	-1.0	-55.43	279.15	4.56	-50.87
CC1=NC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955299	0	31	-1.0	-51.23	280.37	3.05	-48.18
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(Br)N1C	REAL300010955300	0	32	-1.0	-49.39	288.84	2.69	-46.70
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(Br)N1C	REAL300010955300	1	31	-2.0	-141.08	290.29	3.31	-137.77
O=C([O-])C1(NS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CCC1	REAL300010955301	0	30	-1.0	-48.10	270.53	2.45	-45.65
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955302	0	42	-1.0	-56.58	341.63	4.56	-52.02
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CCC1	REAL300010955303	0	32	-2.0	-103.57	294.62	3.32	-100.25
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)CCC1	REAL300010955303	1	33	-1.0	-62.03	298.18	2.45	-59.58
CCOC(=O)CC1(S(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300010955304	0	38	-1.0	-62.72	301.11	5.04	-57.68
O=C([O-])C1(NS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)CCC1	REAL300010955305	0	46	-1.0	-63.31	392.56	4.24	-59.07
N#CC1=CC(F)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Br	REAL300010955306	0	30	-1.0	-50.79	295.55	4.68	-46.11
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C=C1Br	REAL300010955306	1	29	-2.0	-119.61	295.64	4.81	-114.80
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955307	0	40	-1.0	-60.42	348.87	3.04	-57.38
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(=O)OC(C)C	REAL300010955308	0	44	-1.0	-59.06	360.29	6.50	-52.56
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955309	0	41	-1.0	-59.80	350.63	2.90	-56.90
COCCOC1=C(Cl)C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955310	0	40	-1.0	-51.71	368.50	4.43	-47.28
O=C([O-])C1(NS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)CCC1	REAL300010955311	0	34	-1.0	-59.98	293.38	0.89	-59.09
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CCCC1	REAL300010955312	0	41	-1.0	-42.03	320.81	4.33	-37.70
O=C([O-])C1(NS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CCC1	REAL300010955313	0	28	-1.0	-48.72	278.44	2.78	-45.94
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955314	0	36	-1.0	-40.88	318.11	3.40	-37.48
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1C(F)(F)F	REAL300010955315	0	35	-1.0	-52.27	301.54	5.20	-47.07
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCC1	REAL300010955316	0	40	-1.0	-55.40	353.80	7.05	-48.35
COC(=O)CC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955317	0	38	-1.0	-63.06	324.06	5.12	-57.94
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCC1	REAL300010955318	0	31	-1.0	-60.67	280.78	3.07	-57.60
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CCC1	REAL300010955319	0	35	-1.0	-43.83	308.18	5.17	-38.66
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CCC1	REAL300010955320	0	38	-1.0	-43.90	304.97	4.21	-39.69
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCC1	REAL300010955321	0	29	-1.0	-38.50	279.18	3.44	-35.06
N#CC1=CC(F)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955322	0	33	-1.0	-46.61	295.49	4.24	-42.37
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1I	REAL300010955323	0	32	-1.0	-57.12	292.47	5.32	-51.80
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955324	0	42	-1.0	-46.86	356.15	3.54	-43.32
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955325	0	45	-1.0	-46.96	378.01	4.47	-42.49
COC(=O)C1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CCCCC1	REAL300010955326	0	44	-1.0	-43.20	335.14	4.73	-38.47
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN=C1C	REAL300010955327	0	37	-1.0	-52.03	313.66	2.92	-49.11
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CCC1	REAL300010955328	0	33	-1.0	-60.02	287.96	3.26	-56.76
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955329	0	38	-1.0	-40.39	339.67	5.26	-35.13
O=C([O-])C1(NS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CCC1	REAL300010955330	0	45	-1.0	-64.85	380.76	5.71	-59.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CCC1	REAL300010955331	0	31	-1.0	-38.13	298.47	2.87	-35.26
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)CC3)CCC1	REAL300010955332	0	42	-1.0	-41.73	304.51	5.26	-36.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCC1	REAL300010955333	0	38	-1.0	-60.26	311.90	5.29	-54.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CCC1	REAL300010955334	0	30	-1.0	-49.42	282.64	2.99	-46.43
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C(F)F)C=C2)CCC1	REAL300010955335	0	35	-1.0	-42.68	302.68	4.81	-37.87
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300010955336	0	32	-1.0	-42.51	289.82	1.99	-40.52
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300010955336	1	31	-2.0	-125.39	288.31	2.71	-122.68
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955337	0	31	-1.0	-49.70	289.01	5.73	-43.97
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CCC1	REAL300010955337	1	30	-2.0	-122.33	289.34	5.87	-116.46
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(F)C=C1C	REAL300010955338	0	38	-1.0	-55.73	325.69	4.98	-50.75
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C2N=C1Cl	REAL300010955339	0	37	-1.0	-52.17	323.41	5.08	-47.09
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2(F)F)CCC1	REAL300010955340	0	38	-1.0	-46.64	299.40	4.43	-42.21
O=C([O-])C1(NS(=O)(=O)CCOCC2=CC=CC=C2)CCC1	REAL300010955341	0	39	-1.0	-56.25	326.94	4.60	-51.65
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(C)C)=C1	REAL300010955342	0	56	-1.0	-54.19	404.31	9.06	-45.13
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CCC1	REAL300010955343	0	34	-1.0	-56.88	285.36	5.37	-51.51
CCOC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955344	0	41	-1.0	-42.37	347.17	5.53	-36.84
COC(=O)C1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955345	0	34	-1.0	-46.26	286.39	2.70	-43.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955346	0	36	-1.0	-54.28	315.53	4.00	-50.28
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)CCC2=C1	REAL300010955347	0	41	-1.0	-57.11	332.60	5.41	-51.70
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CC3)C=C2)CCC1	REAL300010955348	0	37	-1.0	-56.47	308.16	4.65	-51.82
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300010955349	0	32	-1.0	-45.02	284.55	4.06	-40.96
O=C([O-])C1([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCC1	REAL300010955349	1	31	-2.0	-125.89	285.85	4.32	-121.57
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300010955350	0	32	-1.0	-59.50	297.27	5.23	-54.27
O=C([O-])C1([N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CCC1	REAL300010955350	1	31	-2.0	-135.24	304.33	5.78	-129.46
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955351	0	43	-1.0	-59.24	360.92	1.78	-57.46
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955351	1	42	-2.0	-115.91	355.54	1.94	-113.97
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C(F)=C2)CCC1	REAL300010955352	0	32	-1.0	-38.20	297.11	4.59	-33.61
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955353	0	38	-1.0	-71.81	332.11	2.06	-69.75
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2C=C1	REAL300010955354	0	38	-1.0	-58.02	314.29	6.62	-51.40
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955355	0	38	-1.0	-60.73	332.73	5.55	-55.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(=O)NC3CC3)C=C2)CCC1	REAL300010955356	0	44	-1.0	-60.39	368.58	4.24	-56.15
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955357	0	42	-1.0	-59.06	343.92	4.07	-54.99
O=C([O-])C1(NS(=O)(=O)CC2=C(F)C=CC=C2Cl)CCC1	REAL300010955358	0	32	-1.0	-47.39	289.07	4.40	-42.99
O=C([O-])C1(NS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CCC1	REAL300010955359	0	35	-1.0	-62.57	287.26	5.71	-56.86
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(CC)=C1	REAL300010955360	0	47	-1.0	-54.44	343.90	8.08	-46.36
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C12	REAL300010955361	0	48	-1.0	-46.79	387.79	3.87	-42.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCC1	REAL300010955362	0	36	-1.0	-57.49	302.96	3.44	-54.05
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CCC1	REAL300010955363	0	31	-1.0	-43.95	294.47	3.08	-40.87
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955364	0	37	-1.0	-53.33	304.58	3.75	-49.58
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCC1	REAL300010955365	0	37	-1.0	-54.44	318.28	2.16	-52.28
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955366	0	34	-1.0	-58.48	301.35	-1.36	-59.84
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCC1)S(C)(=O)=O	REAL300010955367	0	40	-1.0	-73.13	320.81	0.95	-72.18
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Cl	REAL300010955368	0	33	-1.0	-52.29	292.49	3.54	-48.75
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CCC1	REAL300010955369	0	32	-1.0	-54.17	273.86	0.96	-53.21
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955370	0	42	-1.0	-46.80	345.14	4.47	-42.33
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=CC=CC(C)=C2S1	REAL300010955371	0	38	-1.0	-52.89	316.27	6.59	-46.30
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCC1	REAL300010955372	0	33	-1.0	-47.55	273.23	4.12	-43.43
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCC1	REAL300010955373	0	33	-1.0	-47.67	283.56	4.58	-43.09
COC(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955374	0	38	-1.0	-57.88	329.52	5.17	-52.71
COC(CC1=CC=CC=C1)CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955375	0	42	-1.0	-58.49	336.29	5.53	-52.96
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955376	0	33	-1.0	-53.51	265.40	3.94	-49.57
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Br)C=C2Cl)CCC1	REAL300010955377	0	32	-1.0	-40.85	305.07	4.99	-35.86
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC=C2Br)CCC1	REAL300010955378	0	32	-1.0	-56.23	305.71	5.55	-50.68
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CCC1	REAL300010955379	0	32	-1.0	-48.44	286.73	2.79	-45.65
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300010955380	0	37	-1.0	-50.96	309.96	5.54	-45.42
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955381	0	45	-1.0	-63.01	354.09	5.83	-57.18
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C21	REAL300010955382	0	36	-1.0	-59.30	322.52	6.07	-53.23
N#CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955383	0	36	-1.0	-49.74	312.74	5.11	-44.63
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955384	0	32	-1.0	-50.16	290.38	0.82	-49.34
CCOC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300010955385	0	38	-1.0	-55.84	318.87	5.05	-50.79
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955386	0	38	-1.0	-41.83	339.80	4.81	-37.02
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCC1	REAL300010955387	0	32	-1.0	-40.26	287.23	4.46	-35.80
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Cl	REAL300010955388	0	32	-1.0	-53.14	282.58	4.78	-48.36
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCC1	REAL300010955389	0	35	-1.0	-59.55	295.22	4.68	-54.87
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2)=N1	REAL300010955390	0	38	-1.0	-57.63	333.33	5.16	-52.47
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1F	REAL300010955391	0	35	-1.0	-52.85	324.72	4.92	-47.93
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1F	REAL300010955391	1	34	-2.0	-133.91	324.95	5.03	-128.88
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955392	0	38	-1.0	-58.71	317.18	4.74	-53.97
CC1=C(Br)C=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955393	0	35	-1.0	-57.82	303.76	5.68	-52.14
O=C([O-])C1(NS(=O)(=O)CCCC2CCOCC2)CCC1	REAL300010955394	0	42	-1.0	-57.47	326.34	3.89	-53.58
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)CCC1	REAL300010955395	0	44	-1.0	-48.51	361.77	1.49	-47.02
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCC1	REAL300010955396	0	37	-1.0	-47.66	301.56	4.48	-43.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCC1	REAL300010955397	0	36	-1.0	-49.14	311.40	1.02	-48.12
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(F)=C2)CCC1	REAL300010955398	0	29	-1.0	-49.29	269.71	4.25	-45.04
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)SC(Br)=C1	REAL300010955399	0	29	-1.0	-39.27	276.15	3.78	-35.49
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCC1	REAL300010955400	0	38	-1.0	-54.55	291.96	4.22	-50.33
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955401	0	39	-1.0	-45.42	321.79	1.80	-43.62
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(F)C=C2)CCC1	REAL300010955402	0	35	-1.0	-40.80	298.40	4.79	-36.01
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2F)CCC1	REAL300010955403	0	35	-1.0	-46.68	297.56	4.76	-41.92
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Cl)CCC1	REAL300010955404	0	35	-1.0	-44.33	304.66	5.09	-39.24
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955405	0	33	-1.0	-49.28	286.11	4.55	-44.73
COC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1)C(=O)NCCC2	REAL300010955406	0	44	-1.0	-72.83	354.03	2.58	-70.25
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)S2)C1	REAL300010955407	0	40	-1.0	-44.52	335.56	3.67	-40.85
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)SC2=CC=C(C#N)C=C12	REAL300010955408	0	36	-1.0	-59.45	324.22	6.09	-53.36
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1CCOC1	REAL300010955409	0	40	-1.0	-57.32	312.09	1.90	-55.42
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Br)CCC1	REAL300010955410	0	32	-1.0	-56.23	295.39	5.10	-51.13
NC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(F)C=C1Br	REAL300010955411	0	33	-1.0	-49.55	305.82	1.20	-48.35
NC(=O)C1=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C(F)C=C1Br	REAL300010955411	1	32	-2.0	-120.34	305.91	1.32	-119.02
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCC1	REAL300010955412	0	32	-1.0	-57.29	292.22	5.01	-52.28
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CCC1	REAL300010955413	0	29	-1.0	-37.21	284.34	4.29	-32.92
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955414	0	36	-1.0	-51.34	302.23	0.61	-50.73
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955415	0	54	-1.0	-54.57	427.51	8.62	-45.95
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955416	0	44	-1.0	-59.26	356.98	6.03	-53.23
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955417	0	39	-1.0	-43.42	339.88	5.31	-38.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C(F)=C2)CCC1	REAL300010955418	0	29	-1.0	-49.17	274.12	4.35	-44.82
COC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955419	0	35	-1.0	-51.64	306.42	4.38	-47.26
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C1=CC=CC=C1	REAL300010955420	0	43	-1.0	-60.76	355.28	6.74	-54.02
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCC1	REAL300010955421	0	43	-1.0	-59.85	364.44	7.04	-52.81
O=C([O-])C1(NS(=O)(=O)C2=NC=CC=C2Br)CCC1	REAL300010955422	0	28	-1.0	-44.38	259.29	2.21	-42.17
O=C([O-])C1([N-]S(=O)(=O)C2=NC=CC=C2Br)CCC1	REAL300010955422	1	27	-2.0	-130.81	260.95	2.70	-128.11
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC3(C(=O)[O-])CCC3)=C2)=N1	REAL300010955423	0	41	-1.0	-64.56	342.04	3.71	-60.85
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1=CC=C(F)C=C1	REAL300010955424	0	39	-1.0	-55.87	328.79	5.24	-50.63
O=C([O-])C1(NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)CCC1	REAL300010955425	0	41	-1.0	-57.07	331.16	5.11	-51.96
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)N(C)N=C1	REAL300010955426	0	35	-1.0	-46.21	289.55	1.81	-44.40
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300010955427	0	37	-1.0	-55.45	329.32	2.59	-52.86
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=CC=C12	REAL300010955428	0	41	-1.0	-48.93	341.03	5.93	-43.00
COC(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300010955429	0	40	-1.0	-62.10	332.39	2.89	-59.21
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1F	REAL300010955430	0	35	-1.0	-53.22	314.40	4.48	-48.74
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1F	REAL300010955430	1	34	-2.0	-133.12	314.62	4.59	-128.53
CC(=O)N1CCC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=C(Cl)C=C21	REAL300010955431	0	40	-1.0	-60.31	343.39	5.44	-54.87
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955432	0	42	-1.0	-62.28	339.06	5.44	-56.84
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1CCCC1	REAL300010955433	0	42	-1.0	-57.36	325.15	4.53	-52.83
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1CCCCC1	REAL300010955434	0	45	-1.0	-56.71	342.32	4.92	-51.79
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCC1	REAL300010955435	0	32	-1.0	-42.67	286.67	2.76	-39.91
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300010955436	0	48	-1.0	-54.79	378.61	6.73	-48.06
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CCC1	REAL300010955437	0	32	-1.0	-53.37	297.38	3.00	-50.37
COC1=CC(F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955438	0	33	-1.0	-55.80	284.32	3.58	-52.22
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1[N+](=O)[O-]	REAL300010955439	0	37	-1.0	-52.07	312.35	6.01	-46.06
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCC1	REAL300010955440	0	42	-1.0	-52.35	349.60	5.91	-46.44
COC(=O)C1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)O1	REAL300010955441	0	35	-1.0	-46.57	305.80	3.06	-43.51
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)O1	REAL300010955441	1	34	-2.0	-125.89	307.12	3.23	-122.66
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN1CC1CC1	REAL300010955442	0	42	-1.0	-47.97	341.75	4.87	-43.10
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955443	0	35	-1.0	-43.92	312.89	5.20	-38.72
CC(=O)N1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2C1	REAL300010955444	0	40	-1.0	-49.22	331.29	3.74	-45.48
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955445	0	32	-1.0	-43.69	290.33	1.60	-42.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCC1	REAL300010955446	0	40	-1.0	-54.81	348.12	7.80	-47.01
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955447	0	32	-1.0	-56.51	290.75	5.12	-51.39
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCC1	REAL300010955448	0	39	-1.0	-50.43	315.53	6.51	-43.92
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010955449	0	49	-1.0	-56.14	400.17	8.48	-47.66
CC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955450	0	35	-1.0	-59.28	310.40	5.70	-53.58
COC1=CC=CC(Br)=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955451	0	36	-1.0	-60.63	316.90	4.44	-56.19
O=C([O-])C1(NS(=O)(=O)CCC2=C(F)C=CC=C2F)CCC1	REAL300010955452	0	35	-1.0	-60.10	303.54	5.39	-54.71
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1F	REAL300010955453	0	32	-1.0	-52.94	281.67	4.50	-48.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)N=C2F)CCC1	REAL300010955454	0	28	-1.0	-57.56	258.63	1.97	-55.59
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Br)N=C2F)CCC1	REAL300010955454	1	27	-2.0	-125.82	271.79	2.52	-123.30
CC(C)OC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955455	0	38	-1.0	-53.94	312.69	2.70	-51.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OCC(F)F)CCC1	REAL300010955456	0	35	-1.0	-47.66	308.28	1.50	-46.16
O=C([O-])C1(NS(=O)(=O)C2=CC(NC(=O)C(F)(F)F)=CC=C2)CCC1	REAL300010955457	0	36	-1.0	-69.49	322.54	2.99	-66.50
COC(=O)C1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)OC=C1	REAL300010955458	0	31	-2.0	-141.76	285.94	2.80	-138.96
COC(=O)C1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)OC=C1	REAL300010955458	1	32	-1.0	-60.23	280.90	3.27	-56.96
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(C)C=C1OC	REAL300010955459	0	42	-1.0	-60.05	334.78	5.23	-54.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCC1	REAL300010955460	0	35	-1.0	-52.02	318.39	5.56	-46.46
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955461	0	37	-1.0	-46.11	318.05	4.11	-42.00
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=N1	REAL300010955462	0	30	-2.0	-143.53	276.89	2.58	-140.95
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300010955462	1	31	-1.0	-50.80	276.40	2.67	-48.13
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955463	0	32	-1.0	-55.95	299.97	5.53	-50.42
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=CC=CC=C2C=C1	REAL300010955464	0	38	-1.0	-61.03	297.24	6.59	-54.44
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2NC(=O)C(F)(F)F)CCC1	REAL300010955465	0	36	-1.0	-54.74	320.66	3.59	-51.15
CC1=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C2NC1=O	REAL300010955466	0	38	-1.0	-55.94	318.47	3.43	-52.51
CN1N=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C21	REAL300010955467	0	34	-1.0	-53.96	290.97	2.15	-51.81
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(C2=CC=CC=C2)S1	REAL300010955468	0	38	-1.0	-49.35	326.82	4.77	-44.58
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C(F)(F)F)CCC1	REAL300010955469	0	29	-1.0	-50.25	263.85	1.27	-48.98
O=C([O-])C1([N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)CCC1	REAL300010955469	1	28	-2.0	-121.62	265.34	1.38	-120.24
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(F)C=C1[N+](=O)[O-]	REAL300010955470	0	34	-1.0	-48.38	299.38	4.96	-43.42
O=C([O-])C1(NS(=O)(=O)C2=CSN=C2C2=CC=CC=C2)CCC1	REAL300010955471	0	35	-1.0	-59.84	301.65	4.85	-54.99
C[NH+]1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300010955472	0	46	0.0	-80.41	349.87	3.03	-77.38
CN1CCN(CCCS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300010955472	1	45	-1.0	-57.72	345.39	0.55	-57.17
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1Br	REAL300010955473	0	29	-1.0	-55.03	273.17	1.85	-53.18
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1I	REAL300010955474	0	29	-1.0	-54.82	278.63	2.30	-52.52
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955475	0	33	-1.0	-51.04	285.36	4.76	-46.28
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300010955476	0	38	-1.0	-52.14	316.30	2.24	-49.90
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=N1	REAL300010955477	0	41	-1.0	-44.96	335.41	3.78	-41.18
COC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(OC)C=C1F	REAL300010955478	0	39	-1.0	-51.54	318.25	4.54	-47.00
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955479	0	39	-1.0	-49.55	322.61	3.83	-45.72
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955480	0	33	-1.0	-51.77	260.00	4.00	-47.77
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300010955481	0	45	-1.0	-55.16	357.11	5.93	-49.23
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955482	0	41	-1.0	-57.86	325.35	5.94	-51.92
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(F)C=C2Cl)CCC1	REAL300010955483	0	32	-1.0	-40.70	290.17	4.45	-36.25
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCC1	REAL300010955484	0	48	-1.0	-43.28	372.36	7.75	-35.53
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955485	0	34	-1.0	-48.20	308.17	3.06	-45.14
O=C([O-])C1(NS(=O)(=O)C2=C(Br)NC=N2)CCC1	REAL300010955486	0	26	-1.0	-45.67	247.55	1.26	-44.41
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)NC=N2)CCC1	REAL300010955486	1	25	-2.0	-135.42	249.04	1.86	-133.56
O=C([O-])C1(NS(=O)(=O)CCC2=NOC3=CC=CC=C32)CCC1	REAL300010955487	0	37	-1.0	-62.51	316.27	4.68	-57.83
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCC1	REAL300010955488	0	28	-1.0	-38.65	274.71	2.28	-36.37
O=C([O-])C1([N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)CCC1	REAL300010955488	1	27	-2.0	-120.34	274.72	3.05	-117.29
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)N=C2F)CCC1	REAL300010955489	0	28	-1.0	-57.69	254.04	1.90	-55.79
O=C([O-])C1([N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)CCC1	REAL300010955489	1	27	-2.0	-125.50	267.19	2.45	-123.05
COC1=NC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955490	0	32	-1.0	-51.14	278.24	1.79	-49.35
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(Cl)N=CC=C3C=C2)CCC1	REAL300010955491	0	34	-1.0	-61.13	302.49	4.54	-56.59
O=C([O-])C1(NS(=O)(=O)C2=CC=C3ON=C(Cl)C3=C2)CCC1	REAL300010955492	0	31	-1.0	-52.73	286.74	3.55	-49.18
O=C([O-])C1(NS(=O)(=O)C2=CC=CN=C2OC2=CC=C(F)C=C2)CCC1	REAL300010955493	0	39	-1.0	-58.16	322.08	4.38	-53.78
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCC2)CC1(Cl)Cl	REAL300010955494	0	32	-1.0	-55.54	290.22	4.57	-50.97
O=C([O-])C1(NS(=O)(=O)CC2=C(Br)SC=N2)CCC1	REAL300010955495	0	28	-1.0	-59.84	275.91	2.19	-57.65
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C(Br)=CSC3=C2)CCC1	REAL300010955496	0	31	-1.0	-42.11	299.81	3.23	-38.88
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C([N+](=O)[O-])S1	REAL300010955497	0	31	-1.0	-54.78	283.41	5.00	-49.78
O=C([O-])C1(NS(=O)(=O)C2CC(=O)N(C3CC3)C2)CCC1	REAL300010955498	0	37	-1.0	-55.27	298.64	3.06	-52.21
CCOC(=O)C1(S(=O)(=O)NC2(C(=O)[O-])CCC2)CCC1	REAL300010955499	0	38	-1.0	-57.87	307.66	4.57	-53.30
CS(=O)(=O)N1CCC(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C1	REAL300010955500	0	40	-1.0	-45.00	332.64	-0.16	-45.16
O=C([O-])C1(NS(=O)(=O)C2=CC3=NC(Cl)=NC=C3S2)CCC1	REAL300010955501	0	30	-1.0	-38.93	291.39	2.36	-36.57
COC(=O)C1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955502	0	38	-1.0	-42.62	325.30	4.61	-38.01
O=C([O-])C1([N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCC1	REAL300010955503	0	31	-2.0	-133.10	300.83	4.83	-128.27
O=C([O-])C1(NS(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)CCC1	REAL300010955503	1	32	-1.0	-48.09	295.94	4.73	-43.36
CN1N=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C(F)(F)F	REAL300010955504	0	32	-1.0	-41.16	278.44	1.61	-39.55
CN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)=C1C(F)(F)F	REAL300010955504	1	31	-2.0	-123.69	284.01	2.51	-121.18
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955505	0	39	-1.0	-45.38	307.22	3.23	-42.15
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2Br)CCC1	REAL300010955506	0	26	-1.0	-38.69	257.83	2.77	-35.92
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(C)(C)C)=N1	REAL300010955507	0	41	-1.0	-50.37	322.58	3.29	-47.08
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCC1	REAL300010955508	0	39	-1.0	-43.32	314.01	3.42	-39.90
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955509	0	32	-1.0	-41.94	277.49	2.11	-39.83
COC(=O)C=CC1=CC(OC)=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955510	0	47	-1.0	-48.99	391.17	5.11	-43.88
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(Br)=N1	REAL300010955511	0	29	-1.0	-42.77	274.50	1.27	-41.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=N2)CCC1	REAL300010955512	0	31	-1.0	-39.60	282.17	2.19	-37.41
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955513	0	36	-1.0	-59.87	305.99	3.98	-55.89
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(=O)N3CCCC3)=C2)CCC1	REAL300010955514	0	43	-1.0	-55.65	353.24	4.93	-50.72
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955515	0	39	-1.0	-56.22	324.38	6.47	-49.75
COC(=O)C1=CNN=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955516	0	32	-1.0	-48.06	271.11	0.33	-47.73
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955516	1	31	-2.0	-144.54	280.69	1.52	-143.02
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955517	0	32	-1.0	-55.79	300.00	5.53	-50.26
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300010955518	0	34	-1.0	-54.05	292.88	4.19	-49.86
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955519	0	38	-1.0	-56.66	314.63	1.54	-55.12
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300010955520	0	51	-1.0	-54.57	400.06	7.51	-47.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(C(F)F)=C2)CCC1	REAL300010955521	0	32	-1.0	-51.27	283.64	4.58	-46.69
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CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955616	0	38	-1.0	-50.79	291.53	3.08	-47.71
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CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955700	0	38	-1.0	-42.22	320.04	4.13	-38.09
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COC(=O)C1CCCCN1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955703	0	40	-1.0	-60.77	313.07	4.84	-55.93
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CCOC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=NN1	REAL300010955707	0	35	-1.0	-55.27	307.23	1.43	-53.84
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955707	1	34	-2.0	-104.46	303.71	1.29	-103.17
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COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1OC	REAL300010955708	0	34	-1.0	-54.41	296.34	2.39	-52.02
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COC(=O)C1=C(Cl)OC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955709	1	32	-1.0	-43.45	302.95	2.86	-40.59
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COC(=O)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300010955769	0	37	-1.0	-53.59	313.63	2.96	-50.63
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CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=C1NCCC2	REAL300010955776	0	41	-1.0	-47.12	321.28	3.94	-43.18
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300010955777	0	43	-1.0	-54.64	356.60	7.29	-47.35
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COC(=O)CC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955784	0	38	-1.0	-48.85	306.99	4.93	-43.92
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCC1	REAL300010955785	0	40	-1.0	-45.94	330.51	7.28	-38.66
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CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955790	0	37	-1.0	-40.79	296.65	-0.65	-41.44
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Br	REAL300010955791	0	31	-1.0	-58.40	283.37	3.25	-55.15
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CP(C)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300010955795	0	38	-1.0	-68.31	327.21	3.27	-65.04
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COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(F)F)=C1	REAL300010955799	0	36	-1.0	-46.47	303.90	3.41	-43.06
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(=O)OC	REAL300010955800	0	42	-1.0	-54.76	351.05	5.31	-49.45
COC(=O)C1CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2C1	REAL300010955801	0	42	-1.0	-48.24	345.61	5.71	-42.53
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955802	0	35	-1.0	-50.25	295.88	2.16	-48.09
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955803	0	35	-1.0	-55.18	315.55	5.75	-49.43
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955803	1	34	-2.0	-129.50	316.24	5.84	-123.66
COC(=O)C1=CC=NC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955804	0	34	-1.0	-44.91	286.07	2.81	-42.10
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955805	0	35	-1.0	-68.78	297.89	5.12	-63.66
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	REAL300010955805	1	34	-2.0	-142.46	301.01	4.86	-137.60
O=C([O-])C1(NS(=O)(=O)C2=CC=NC3=CC=CC=C32)CCC1	REAL300010955806	0	34	-1.0	-56.39	286.27	4.16	-52.23
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2I)CCC1	REAL300010955807	0	29	-1.0	-55.61	270.81	5.01	-50.60
CCOC1=CC=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955808	0	35	-1.0	-47.03	288.83	2.34	-44.69
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2C=C1	REAL300010955809	0	40	-1.0	-53.65	343.56	4.69	-48.96
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=NC=CC=C12	REAL300010955810	0	37	-1.0	-63.42	288.55	5.47	-57.95
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CC1=CC(Cl)=CN=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300010955813	0	31	-1.0	-46.76	274.49	3.58	-43.18
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CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C(Cl)S1	REAL300010955815	0	29	-1.0	-57.51	274.55	4.12	-53.39
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CC1=CC(C)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1C	REAL300010955823	0	48	-1.0	-46.29	359.85	5.64	-40.65
COC(=O)CC1(CS(=O)(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300010955824	0	45	-1.0	-61.80	367.32	4.01	-57.79
COC(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955825	0	42	-1.0	-67.49	346.05	4.98	-62.51
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955826	0	45	-1.0	-46.19	375.91	4.66	-41.53
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CC(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955829	0	48	-1.0	-46.10	375.49	5.38	-40.72
CC(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955830	0	45	-1.0	-46.11	359.51	4.99	-41.12
CCC(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955831	0	48	-1.0	-46.08	377.96	5.65	-40.43
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O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CCCOC1	REAL300010955835	0	38	-1.0	-53.57	331.88	4.21	-49.36
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CCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955838	0	45	-1.0	-45.97	363.68	5.28	-40.69
COC1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955839	0	40	-1.0	-62.78	322.57	3.32	-59.46
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955840	0	47	-1.0	-61.38	375.85	1.78	-59.60
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COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1NC(C)=O	REAL300010955850	0	47	-1.0	-57.24	383.36	1.39	-55.85
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CC1=C(C)C(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(C)=C1C	REAL300010955852	0	51	-1.0	-47.30	373.16	6.08	-41.22
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CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1[N+](=O)[O-]	REAL300010955854	0	41	-1.0	-44.96	343.48	4.25	-40.71
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CC1=CC(Cl)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300010955856	0	42	-1.0	-43.99	357.64	5.51	-38.48
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955857	0	54	-1.0	-45.51	405.26	7.08	-38.43
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCCOC1	REAL300010955858	0	52	-1.0	-45.70	401.14	6.87	-38.83
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCCOC1	REAL300010955859	0	39	-1.0	-43.15	338.03	4.06	-39.09
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CCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955861	0	42	-1.0	-46.22	342.18	4.50	-41.72
COC1=CC=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955862	0	44	-1.0	-52.15	349.27	2.18	-49.97
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1OC	REAL300010955863	0	44	-1.0	-48.39	358.02	2.27	-46.12
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CCCC3=C2)CCCOC1	REAL300010955864	0	43	-1.0	-47.10	344.84	4.97	-42.13
CC1=NOC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955865	0	38	-1.0	-53.45	315.08	2.43	-51.02
CC(=O)NCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300010955866	0	43	-1.0	-61.11	376.59	1.65	-59.46
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCCOC1	REAL300010955867	0	44	-1.0	-46.69	353.74	5.47	-41.22
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2F)CCCOC1	REAL300010955868	0	36	-1.0	-45.98	303.71	2.82	-43.16
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=CC=C2F)CCCOC1	REAL300010955868	1	35	-2.0	-126.26	313.69	3.26	-123.00
CC(=O)NC1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955869	0	46	-1.0	-55.80	370.19	2.79	-53.01
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCOC1	REAL300010955870	0	33	-1.0	-42.18	311.51	2.73	-39.45
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)CCCOC1	REAL300010955870	1	32	-2.0	-117.86	324.63	3.29	-114.57
CC(C)CCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955871	0	51	-1.0	-45.94	402.74	6.57	-39.37
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCOC1	REAL300010955872	0	42	-1.0	-50.53	340.29	5.43	-45.10
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCCOC1	REAL300010955873	0	46	-1.0	-47.50	373.47	6.47	-41.03
CC1=CC=C(F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955874	0	39	-1.0	-43.52	320.16	3.96	-39.56
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955875	0	51	-1.0	-45.94	389.71	5.85	-40.09
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1Cl	REAL300010955876	0	39	-1.0	-57.03	337.46	4.59	-52.44
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)CCCOC1	REAL300010955877	0	36	-1.0	-40.53	318.29	3.25	-37.28
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300010955878	0	39	-1.0	-60.38	321.67	3.92	-56.46
CC1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955879	0	39	-1.0	-44.42	312.71	3.79	-40.63
CC1=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CN1C	REAL300010955880	0	39	-1.0	-65.30	325.53	2.36	-62.94
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)CCCOC1	REAL300010955881	0	39	-1.0	-45.65	336.37	3.76	-41.89
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCOC1	REAL300010955882	0	36	-1.0	-42.20	310.00	2.87	-39.33
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)CCCOC1	REAL300010955882	1	35	-2.0	-117.15	319.98	3.32	-113.83
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=NON=C32)CCCOC1	REAL300010955883	0	37	-1.0	-49.81	310.02	1.78	-48.03
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1F	REAL300010955884	0	39	-1.0	-43.63	326.01	3.76	-39.87
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)CCCOC1	REAL300010955885	0	39	-1.0	-41.50	343.60	4.12	-37.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=CC=CN=C32)CCCOC1	REAL300010955886	0	41	-1.0	-67.15	334.21	4.59	-62.56
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)CCCOC1	REAL300010955887	0	39	-1.0	-56.31	333.24	5.12	-51.19
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Cl)=C2F)CCCOC1	REAL300010955888	0	36	-1.0	-46.75	313.74	3.31	-43.44
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(F)C=C2Br)CCCOC1	REAL300010955889	0	36	-1.0	-54.78	324.86	4.30	-50.48
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955890	0	42	-1.0	-56.83	350.73	3.99	-52.84
CC1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955891	0	39	-1.0	-48.41	318.72	3.41	-45.00
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1F	REAL300010955892	0	40	-1.0	-48.04	335.00	2.44	-45.60
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1F	REAL300010955893	0	39	-1.0	-57.37	328.71	4.18	-53.19
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCOC1	REAL300010955894	0	35	-2.0	-122.68	314.02	3.09	-119.59
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=C(F)C=C2F)CCCOC1	REAL300010955894	1	36	-1.0	-57.42	316.93	3.82	-53.60
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C(F)=C2)CCCOC1	REAL300010955895	0	36	-1.0	-54.13	329.00	4.14	-49.99
CN1C=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955896	0	36	-1.0	-65.07	306.01	2.56	-62.51
O=C([O-])C1(CNS(=O)(=O)C2=CC=CN=C2)CCCOC1	REAL300010955897	0	35	-1.0	-47.18	294.26	1.28	-45.90
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1Cl	REAL300010955898	0	43	-1.0	-59.11	373.45	2.99	-56.12
CN(C1CCCCC1)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955899	0	47	-1.0	-44.37	352.51	3.40	-40.97
CC1CCCCN1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955900	0	44	-1.0	-58.70	332.43	3.57	-55.13
CCCN(CCC)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955901	0	46	-1.0	-59.07	357.88	3.69	-55.38
CN(CCC#N)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955902	0	38	-1.0	-61.64	321.68	2.08	-59.56
N#CC1=CC=CC(CS(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955903	0	40	-1.0	-66.57	346.64	4.57	-62.00
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2)CCCOC1	REAL300010955904	0	42	-1.0	-61.69	347.27	4.98	-56.71
CC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300010955905	0	39	-1.0	-47.73	340.02	4.89	-42.84
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCCOC1	REAL300010955906	0	39	-1.0	-63.18	357.70	5.16	-58.02
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C2=CC=CC=C12	REAL300010955907	0	46	-1.0	-60.17	371.31	5.20	-54.97
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1C(N)=O	REAL300010955908	0	43	-1.0	-57.43	352.57	0.94	-56.49
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1C(N)=O	REAL300010955909	0	44	-1.0	-49.58	361.10	0.45	-49.13
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955910	0	41	-1.0	-40.91	341.88	4.63	-36.28
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300010955911	0	43	-1.0	-65.46	356.48	2.14	-63.32
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955912	0	41	-1.0	-49.53	336.46	4.38	-45.15
CN1C=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300010955913	0	36	-1.0	-62.78	319.46	3.03	-59.75
CN1C=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)=C1Cl	REAL300010955913	1	35	-2.0	-136.47	319.25	2.70	-133.77
CC1=CC(F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955914	0	39	-1.0	-56.72	329.81	4.21	-52.51
COCCOCCS(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955915	0	43	-1.0	-61.69	355.02	0.46	-61.23
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955916	0	42	-1.0	-57.23	373.50	4.64	-52.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=N2)CCCOC1	REAL300010955917	0	35	-1.0	-56.69	319.15	2.18	-54.51
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955918	0	45	-1.0	-57.94	384.31	1.28	-56.66
CC(=O)NC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1F	REAL300010955919	0	43	-1.0	-50.02	361.02	2.07	-47.95
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CCCOC3)C=C21	REAL300010955920	0	50	-1.0	-58.33	391.72	4.68	-53.65
CS(=O)(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955921	0	41	-1.0	-77.40	351.00	-0.49	-77.89
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(C)=C1C	REAL300010955922	0	46	-1.0	-46.51	359.42	3.82	-42.69
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2Br)CCCOC1	REAL300010955923	0	36	-1.0	-44.28	321.92	3.81	-40.47
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CCCOC3)C=C21	REAL300010955924	0	47	-1.0	-58.11	385.29	2.99	-55.12
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Br)C=C2)CCCOC1	REAL300010955925	0	39	-1.0	-45.04	344.33	4.40	-40.64
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955926	0	49	-1.0	-53.70	402.97	2.86	-50.84
CCCCN(C)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955927	0	43	-1.0	-58.77	343.82	3.12	-55.65
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955928	0	44	-1.0	-43.34	358.88	5.46	-37.88
CC(C)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955929	0	48	-1.0	-45.99	380.43	5.75	-40.24
COCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955930	0	46	-1.0	-46.42	375.85	3.57	-42.85
COCCN(CCOC)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955931	0	48	-1.0	-57.38	375.80	0.67	-56.71
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955932	0	39	-1.0	-43.37	330.50	4.41	-38.96
CC(C)CCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955933	0	52	-1.0	-45.89	411.19	5.40	-40.49
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCCOC1	REAL300010955934	0	50	-1.0	-46.03	393.34	5.27	-40.76
CC(C)COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955935	0	49	-1.0	-46.05	392.23	4.79	-41.26
CCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955936	0	46	-1.0	-45.98	372.13	4.10	-41.88
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1Cl	REAL300010955937	0	40	-1.0	-47.23	344.81	2.92	-44.31
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCCOC1	REAL300010955938	0	40	-1.0	-57.07	357.26	3.61	-53.46
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1C	REAL300010955939	0	43	-1.0	-46.98	348.85	3.10	-43.88
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1OC(C)C	REAL300010955940	0	49	-1.0	-46.79	388.64	4.65	-42.14
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(C)=C1	REAL300010955941	0	43	-1.0	-45.08	343.09	3.27	-41.81
COCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955942	0	47	-1.0	-48.47	384.25	2.57	-45.90
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC=C2F)CCCOC1	REAL300010955943	0	39	-1.0	-50.28	328.36	3.82	-46.46
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955944	0	47	-1.0	-56.94	390.02	2.74	-54.20
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(Br)=C1	REAL300010955945	0	39	-1.0	-58.57	339.87	4.90	-53.67
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955946	0	42	-1.0	-52.48	360.00	5.04	-47.44
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)CCCOC1	REAL300010955947	0	41	-1.0	-47.97	340.24	3.46	-44.51
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955948	0	40	-1.0	-46.44	336.96	3.53	-42.91
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCOC1	REAL300010955948	1	39	-2.0	-128.78	336.78	3.22	-125.56
CC1=CC(C#N)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955949	0	40	-1.0	-42.45	334.36	4.36	-38.09
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(F)=C1	REAL300010955950	0	37	-1.0	-58.13	321.01	3.64	-54.49
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955951	0	40	-1.0	-59.45	346.28	4.24	-55.21
O=C([O-])C1(CNS(=O)(=O)CC2=NOC=C2)CCCOC1	REAL300010955952	0	35	-1.0	-51.04	298.02	1.06	-49.98
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1OC	REAL300010955953	0	46	-1.0	-59.96	384.07	4.18	-55.78
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1C	REAL300010955954	0	45	-1.0	-46.18	370.10	4.26	-41.92
COC(=O)CCN(C)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955955	0	43	-1.0	-60.46	356.19	2.34	-58.12
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)CC1	REAL300010955956	0	46	-1.0	-54.26	369.97	-1.37	-55.63
CN(C1CCOCC1)S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955957	0	45	-1.0	-57.95	349.03	1.57	-56.38
O=C([O-])C1(CNS(=O)(=O)N2CC3CCC2C3)CCCOC1	REAL300010955958	0	42	-1.0	-59.12	329.48	3.04	-56.08
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)CCCOC1	REAL300010955959	0	45	-1.0	-56.94	367.96	3.14	-53.80
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=NN1C1=CC=CC=N1	REAL300010955960	0	45	-1.0	-59.97	375.35	4.82	-55.15
CCN1N=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1C	REAL300010955961	0	45	-1.0	-46.89	357.77	2.97	-43.92
CC(C)N1C=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=N1	REAL300010955962	0	42	-1.0	-57.95	346.76	2.56	-55.39
CC(C)CN1C=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955963	0	45	-1.0	-63.95	366.53	4.44	-59.51
CC(C)N1C=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955964	0	42	-1.0	-63.50	347.44	3.85	-59.65
CC(C)C1=NC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CN1	REAL300010955965	0	42	-1.0	-63.49	345.79	1.91	-61.58
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955966	0	48	-1.0	-61.00	354.23	5.96	-55.04
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955967	0	44	-1.0	-52.57	365.38	2.49	-50.08
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2)CCCOC1	REAL300010955968	0	42	-1.0	-61.69	347.27	4.98	-56.71
O=C([O-])C1(CNS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)CCCOC1	REAL300010955969	0	43	-1.0	-61.54	366.95	4.76	-56.78
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1F	REAL300010955970	0	42	-1.0	-46.92	359.73	3.53	-43.39
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(Cl)=C1Cl	REAL300010955971	0	40	-1.0	-46.44	344.88	2.92	-43.52
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C(Br)S1	REAL300010955972	0	36	-1.0	-41.17	329.45	3.54	-37.63
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CN1	REAL300010955973	0	40	-1.0	-52.41	342.68	1.40	-51.01
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1Cl	REAL300010955974	0	37	-1.0	-44.37	335.49	3.87	-40.50
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1C	REAL300010955975	0	44	-1.0	-57.57	348.55	5.97	-51.60
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955976	0	42	-1.0	-49.66	355.43	3.69	-45.97
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955977	0	45	-1.0	-52.69	374.49	1.41	-51.28
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C(C(F)(F)F)=C1	REAL300010955978	0	40	-1.0	-47.08	340.58	4.87	-42.21
N#CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=CC=C1Cl	REAL300010955979	0	37	-1.0	-56.14	338.22	4.28	-51.86
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955980	0	52	-1.0	-50.83	411.51	4.83	-46.00
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(=O)NC3CC3)=CC=C2)CCCOC1	REAL300010955981	0	47	-1.0	-51.71	387.34	3.05	-48.66
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300010955982	0	44	-1.0	-50.48	375.89	-0.77	-51.25
CC(=O)NCCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300010955983	0	46	-1.0	-66.72	398.09	2.41	-64.31
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)O1	REAL300010955984	0	39	-1.0	-56.23	341.54	2.27	-53.96
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCOC2)O1	REAL300010955984	1	38	-2.0	-119.41	341.32	1.93	-117.48
COC(=O)C1=C(C)OC(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955985	0	42	-1.0	-56.18	359.88	2.94	-53.24
CC1=NC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)S1	REAL300010955986	0	38	-1.0	-45.64	324.53	1.62	-44.02
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCOC1	REAL300010955987	0	37	-2.0	-138.34	321.81	4.46	-133.88
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])CCCOC1	REAL300010955987	1	38	-1.0	-57.74	320.94	4.70	-53.04
O=C([O-])C1(CNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCCOC1	REAL300010955988	0	39	-1.0	-62.08	359.25	5.20	-56.88
CCOC(=O)C1=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C(C)N1	REAL300010955989	0	49	-1.0	-50.69	395.25	3.74	-46.95
O=C([O-])C1(CNS(=O)(=O)CC2CCCCC2)CCCOC1	REAL300010955990	0	45	-1.0	-44.94	341.98	4.19	-40.75
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2Br)CCCOC1	REAL300010955991	0	36	-1.0	-48.10	318.93	3.99	-44.11
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)CCCOC1	REAL300010955991	1	35	-2.0	-129.73	321.42	4.08	-125.65
COC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)=C1	REAL300010955992	0	45	-1.0	-47.12	368.48	4.54	-42.58
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CCCOC1	REAL300010955993	0	38	-1.0	-60.63	336.01	5.50	-55.13
COC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1OC	REAL300010955994	0	44	-1.0	-47.26	356.23	2.03	-45.23
COC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CCCOC2)C=C1OC	REAL300010955995	0	47	-1.0	-44.41	371.42	2.99	-41.42
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)CCCOC1	REAL300010955996	0	39	-1.0	-49.76	338.80	3.98	-45.78
COC(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955997	0	41	-1.0	-70.06	342.81	2.78	-67.28
N#CC1=CC(F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955998	0	37	-1.0	-60.27	313.97	3.30	-56.97
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010955999	0	37	-1.0	-60.00	324.30	3.76	-56.24
CC(C)OCCS(=O)(=O)NCC1(C(=O)[O-])CCCOC1	REAL300010956000	0	42	-1.0	-59.68	341.65	1.95	-57.73
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1F	REAL300010958644	0	36	-1.0	-45.82	303.18	4.55	-41.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010958645	0	36	-1.0	-57.58	320.58	4.97	-52.61
COC(=O)C1CCCCC1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958646	0	41	-1.0	-67.69	325.29	5.74	-61.95
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958647	0	44	-1.0	-45.65	357.58	6.14	-39.51
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958648	0	37	-1.0	-44.77	332.85	6.86	-37.91
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958649	0	37	-1.0	-41.47	317.84	6.57	-34.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010958650	0	34	-1.0	-49.59	315.10	5.27	-44.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)O1	REAL300010958651	0	26	-1.0	-49.53	260.41	3.15	-46.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1(C#N)CCCCC1	REAL300010958652	0	39	-1.0	-65.36	309.65	5.26	-60.10
COC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958653	0	33	-1.0	-51.29	307.01	4.35	-46.94
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300010958654	0	39	-1.0	-57.24	340.34	5.39	-51.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010958655	0	42	-1.0	-52.19	373.24	5.84	-46.35
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300010958656	0	36	-1.0	-50.59	316.70	2.10	-48.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010958657	0	41	-1.0	-55.28	340.51	5.87	-49.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010958658	0	29	-1.0	-49.45	274.68	5.39	-44.06
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Cl)=N1	REAL300010958659	0	31	-1.0	-46.54	284.20	3.79	-42.75
COC1=CC(C#N)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958660	0	34	-1.0	-45.37	304.96	4.99	-40.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010958661	0	36	-1.0	-49.21	321.51	6.23	-42.98
CSC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958662	0	33	-1.0	-51.82	311.47	5.88	-45.94
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958663	0	31	-1.0	-49.50	300.06	5.05	-44.45
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958664	0	39	-1.0	-48.54	344.69	1.29	-47.25
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN=C1Cl	REAL300010958665	0	32	-1.0	-49.15	297.11	2.36	-46.79
CCN1C(=O)OC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C21	REAL300010958666	0	38	-1.0	-56.83	332.20	5.37	-51.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010958667	0	44	-1.0	-55.37	369.97	4.87	-50.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010958668	0	28	-1.0	-52.76	277.31	4.18	-48.58
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958669	0	47	0.0	-61.21	375.70	5.89	-55.32
CC1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958670	0	35	-1.0	-46.37	312.13	6.18	-40.19
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958671	0	32	-1.0	-42.76	290.05	5.83	-36.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010958672	0	33	-1.0	-51.36	292.99	4.58	-46.78
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010958673	0	29	-1.0	-43.09	283.31	5.22	-37.87
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958674	0	37	-1.0	-52.77	315.15	5.18	-47.59
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1C	REAL300010958675	0	56	-1.0	-45.39	446.72	9.25	-36.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010958676	0	38	-1.0	-59.62	312.76	6.21	-53.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958677	0	43	-1.0	-49.54	377.48	5.90	-43.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010958678	0	30	-1.0	-46.00	291.64	5.61	-40.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010958679	0	32	-1.0	-56.81	300.31	3.50	-53.31
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010958680	0	44	-1.0	-51.76	365.76	5.31	-46.45
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010958681	0	35	-1.0	-52.16	323.52	7.31	-44.85
COC(=O)CCCCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958682	0	40	-1.0	-46.24	345.45	5.60	-40.64
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010958683	0	34	-1.0	-52.55	299.82	3.50	-49.05
COC(=O)C1=CC(Br)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958684	0	32	-1.0	-43.63	324.39	5.23	-38.40
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958685	0	37	-1.0	-59.06	324.68	2.45	-56.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010958687	0	32	-1.0	-48.52	312.02	5.96	-42.56
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958688	0	40	-1.0	-49.55	341.18	3.41	-46.14
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958689	0	34	-1.0	-48.70	318.49	6.50	-42.20
COC1=C(F)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958690	0	35	-1.0	-49.17	319.72	5.26	-43.91
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958691	0	39	-1.0	-52.71	347.56	3.70	-49.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010958692	0	40	-1.0	-59.36	355.15	6.23	-53.13
COC1=CC=C(CCS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958693	0	39	-1.0	-45.45	336.41	5.55	-39.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010958694	0	44	-1.0	-49.11	377.90	6.12	-42.99
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010958695	0	32	-1.0	-55.35	293.85	3.30	-52.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010958696	0	40	-1.0	-57.00	335.78	5.70	-51.30
CC1=CC=NC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300010958697	0	37	-1.0	-54.89	315.15	6.10	-48.79
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(OC)C=C1Br	REAL300010958698	0	37	-1.0	-47.57	334.10	4.56	-43.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010958699	0	32	-1.0	-54.57	288.43	5.30	-49.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010958700	0	32	-1.0	-42.31	300.75	5.60	-36.71
CC1=CC(Br)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958701	0	32	-1.0	-51.88	298.92	5.71	-46.17
CSC1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958702	0	33	-1.0	-50.44	293.96	5.72	-44.72
CC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Br	REAL300010958703	0	36	-1.0	-55.29	330.43	4.10	-51.19
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958704	0	40	-1.0	-52.77	330.01	5.17	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010958705	0	41	-1.0	-52.86	342.78	4.73	-48.13
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010958706	0	35	-1.0	-53.18	336.70	2.55	-50.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010958707	0	37	-1.0	-50.85	325.72	5.66	-45.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010958708	0	32	-1.0	-59.70	306.12	5.71	-53.99
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(OC)=C1	REAL300010958709	0	39	-1.0	-48.28	338.91	5.26	-43.02
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=CS1	REAL300010958710	0	35	-1.0	-47.73	310.17	5.62	-42.11
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1F	REAL300010958711	0	33	-1.0	-50.90	291.94	3.80	-47.10
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958712	0	40	-1.0	-52.17	343.29	4.96	-47.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958713	0	43	-1.0	-49.69	371.12	5.94	-43.75
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010958714	0	43	-1.0	-48.20	369.70	8.11	-40.09
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958715	0	37	-1.0	-54.47	332.45	6.85	-47.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010958716	0	29	-1.0	-41.79	298.70	5.74	-36.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010958717	0	41	0.0	-89.86	335.88	6.14	-83.72
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2O1	REAL300010958718	0	44	-1.0	-52.63	380.01	7.10	-45.53
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958719	0	41	-1.0	-50.22	345.34	6.78	-43.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010958720	0	29	-1.0	-41.24	289.49	5.59	-35.65
CC1=C(Cl)SC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958721	0	29	-1.0	-41.98	289.47	4.94	-37.04
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010958722	0	35	-1.0	-47.40	307.64	5.22	-42.18
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958723	0	33	-1.0	-46.28	291.48	3.90	-42.38
CC1=CC=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300010958724	0	37	-1.0	-55.83	312.00	7.83	-48.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010958725	0	35	-1.0	-58.63	318.50	6.02	-52.61
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958726	0	39	-1.0	-42.54	345.45	7.46	-35.08
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958727	0	32	-1.0	-43.51	301.12	6.04	-37.47
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010958728	0	34	-1.0	-54.37	296.61	4.70	-49.67
CC1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958729	0	35	-1.0	-63.05	310.24	5.85	-57.20
CC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958730	0	37	-1.0	-55.15	323.58	6.59	-48.56
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010958731	0	29	-1.0	-42.66	286.20	5.58	-37.08
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010958732	0	31	-1.0	-42.19	301.40	6.87	-35.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010958733	0	28	-1.0	-46.78	274.00	3.08	-43.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010958734	0	29	-1.0	-49.17	292.38	5.49	-43.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010958735	0	40	-1.0	-50.49	352.82	4.22	-46.27
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010958736	0	29	-1.0	-57.12	282.15	5.39	-51.73
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958737	0	39	-1.0	-48.66	317.20	6.17	-42.49
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958738	0	35	-1.0	-52.63	315.58	5.11	-47.52
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958739	0	33	-1.0	-48.35	300.96	5.12	-43.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010958740	0	30	-1.0	-54.23	283.75	3.23	-51.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010958741	0	42	-1.0	-44.33	350.41	8.05	-36.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010958742	0	40	-1.0	-63.10	341.64	5.16	-57.94
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300010958743	0	43	-1.0	-49.28	352.46	6.82	-42.46
COC(=O)C1=CN=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958744	0	34	-1.0	-53.23	306.20	3.30	-49.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010958745	0	30	-1.0	-50.55	296.78	5.32	-45.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010958746	0	31	-1.0	-41.21	308.85	6.03	-35.18
COC1=CC(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958747	0	36	-1.0	-48.29	319.61	5.23	-43.06
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958748	0	35	-1.0	-43.66	334.05	5.50	-38.16
COC1=CC(Cl)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958749	0	37	-1.0	-45.52	326.56	4.35	-41.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010958750	0	33	-1.0	-52.32	301.70	4.07	-48.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010958751	0	32	-1.0	-49.94	300.58	5.47	-44.47
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958752	0	40	-1.0	-56.47	346.97	1.46	-55.01
CCOC(=O)C1=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2S1	REAL300010958753	0	41	-1.0	-53.95	370.77	7.46	-46.49
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010958754	0	35	-1.0	-49.24	301.45	4.02	-45.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010958755	0	34	-1.0	-59.66	313.04	0.01	-59.65
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958756	0	35	-1.0	-45.04	316.71	5.26	-39.78
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958757	0	37	-1.0	-55.89	333.83	6.51	-49.38
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(Br)=C1	REAL300010958758	0	33	-1.0	-43.88	300.02	4.49	-39.39
CC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)OCO2	REAL300010958759	0	35	-1.0	-48.27	293.16	3.86	-44.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010958760	0	35	-1.0	-51.77	322.53	5.61	-46.16
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958761	0	35	-1.0	-46.78	308.04	5.86	-40.92
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010958762	0	29	-1.0	-41.46	284.15	5.55	-35.91
CC1=CC(F)=CC(C)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958763	0	35	-1.0	-43.20	286.89	6.03	-37.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010958764	0	29	-1.0	-43.93	291.26	5.87	-38.06
COC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)OCC(=O)N2	REAL300010958765	0	39	-1.0	-50.89	334.89	1.82	-49.07
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010958766	0	31	-1.0	-41.53	306.41	5.78	-35.75
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010958767	0	31	-1.0	-40.06	303.26	5.72	-34.34
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010958768	0	29	-1.0	-40.91	288.15	5.98	-34.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010958769	0	30	-1.0	-49.25	282.47	3.19	-46.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010958770	0	29	-1.0	-44.90	284.29	5.24	-39.66
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1OC	REAL300010958771	0	39	-1.0	-53.49	338.25	5.14	-48.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010958772	0	29	-1.0	-40.76	287.28	5.70	-35.06
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010958773	0	32	-1.0	-45.48	302.13	5.98	-39.50
CC(=O)NC1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958774	0	32	-1.0	-57.43	305.14	2.22	-55.21
CC(=O)[N-]C1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)S1	REAL300010958774	1	31	-2.0	-107.33	302.13	1.09	-106.24
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010958775	0	32	-1.0	-45.38	306.70	6.08	-39.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010958776	0	33	-1.0	-56.58	307.46	1.72	-54.86
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958777	0	38	-1.0	-52.93	325.99	7.10	-45.83
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958778	0	37	-1.0	-52.95	308.93	3.02	-49.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010958779	0	33	-1.0	-56.30	312.01	1.82	-54.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010958780	0	40	-1.0	-52.05	335.34	6.04	-46.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010958781	0	33	-1.0	-52.28	312.94	5.59	-46.69
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958782	0	36	-1.0	-60.65	329.71	4.93	-55.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010958783	0	30	-1.0	-44.04	291.88	5.30	-38.74
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010958784	0	30	-1.0	-45.25	296.89	5.61	-39.64
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958785	0	35	-1.0	-42.74	313.21	6.39	-36.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958786	0	46	-1.0	-58.44	392.97	4.14	-54.30
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010958787	0	35	-1.0	-53.62	313.62	5.94	-47.68
COCCOCCOCCS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958788	0	43	-1.0	-48.57	370.13	2.07	-46.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958789	0	39	-1.0	-61.72	344.93	2.12	-59.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010958790	0	29	-1.0	-43.19	283.45	5.55	-37.64
CC(=O)N1CCC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2CC1	REAL300010958791	0	46	-1.0	-62.36	369.17	6.32	-56.04
COC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010958792	0	38	-1.0	-52.22	341.20	5.88	-46.34
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1OC	REAL300010958793	0	39	-1.0	-51.03	347.73	6.61	-44.42
CCCC1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958794	0	38	-1.0	-46.80	335.08	7.44	-39.36
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958795	0	38	-1.0	-46.70	331.02	7.15	-39.55
CNC(=O)C1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958796	0	39	-1.0	-47.40	341.90	3.75	-43.65
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958797	0	43	-1.0	-53.25	366.65	6.09	-47.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010958798	0	29	-1.0	-44.85	278.75	5.13	-39.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010958799	0	42	-1.0	-44.41	362.43	6.31	-38.10
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010958800	0	38	-1.0	-43.73	351.11	6.58	-37.15
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010958801	0	31	-1.0	-48.67	305.60	6.44	-42.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010958802	0	38	-1.0	-51.53	322.98	1.93	-49.60
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958803	0	37	-1.0	-46.05	320.01	5.79	-40.26
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1OC	REAL300010958804	0	40	-1.0	-56.22	349.39	4.78	-51.44
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010958805	0	41	-1.0	-46.41	354.61	6.72	-39.69
COCCNC(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958806	0	43	-1.0	-63.03	365.70	2.60	-60.43
COCC1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958807	0	40	-1.0	-50.87	339.30	4.32	-46.55
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958808	0	42	-1.0	-54.42	360.75	6.19	-48.23
CCOC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C	REAL300010958809	0	41	-1.0	-53.42	348.93	6.55	-46.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010958810	0	32	-1.0	-47.05	288.83	5.74	-41.31
CCOC(=O)CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958811	0	41	-1.0	-59.47	355.06	6.78	-52.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958812	0	35	-1.0	-45.56	332.77	7.18	-38.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010958813	0	32	-1.0	-42.97	301.29	6.50	-36.47
CC(COC1CCCC1)CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958814	0	45	-1.0	-56.42	355.44	5.72	-50.70
CC1=C(CCS(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC=N1	REAL300010958815	0	34	-1.0	-45.39	310.89	3.99	-41.40
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010958816	0	35	-1.0	-43.24	323.63	6.76	-36.48
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958817	0	38	-1.0	-50.01	338.61	6.18	-43.83
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010958818	0	39	-1.0	-55.48	328.39	7.83	-47.65
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958819	0	43	-1.0	-57.87	376.67	2.03	-55.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300010958820	0	32	-1.0	-60.13	299.99	5.69	-54.44
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1C	REAL300010958821	0	41	-1.0	-55.62	359.30	5.59	-50.03
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010958822	0	35	-1.0	-58.40	326.77	2.35	-56.05
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010958823	0	33	-1.0	-47.88	308.22	5.56	-42.32
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010958824	0	32	-1.0	-56.45	291.68	5.17	-51.28
CC1=NC(Cl)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958825	0	31	-1.0	-41.37	286.64	3.99	-37.38
CC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010958826	0	32	-1.0	-56.53	302.39	3.80	-52.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010958827	0	30	-1.0	-48.52	279.64	3.24	-45.28
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958828	0	42	-1.0	-63.92	347.35	5.26	-58.66
CCOC(=O)CC1(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)CC1	REAL300010958829	0	38	-1.0	-47.55	309.91	6.00	-41.55
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010958830	0	46	-1.0	-60.47	399.53	4.77	-55.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010958831	0	30	-1.0	-40.59	302.43	5.50	-35.09
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958832	0	40	-1.0	-53.92	354.79	4.08	-49.84
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(=O)OC(C)C	REAL300010958833	0	44	-1.0	-53.57	369.18	7.26	-46.31
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958834	0	41	-1.0	-60.17	361.19	3.45	-56.72
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958835	0	40	-1.0	-46.47	381.44	5.46	-41.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010958836	0	34	-1.0	-55.47	302.76	1.62	-53.85
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)CCCC1	REAL300010958837	0	41	-1.0	-62.11	325.58	5.99	-56.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010958838	0	28	-1.0	-46.81	287.57	3.59	-43.22
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958839	0	36	-1.0	-52.54	328.05	4.66	-47.88
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300010958840	0	35	-1.0	-50.11	310.68	5.92	-44.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010958841	0	40	-1.0	-47.26	368.88	7.98	-39.28
COC(=O)CC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958842	0	38	-1.0	-59.64	333.20	5.86	-53.78
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010958843	0	31	-1.0	-51.94	289.25	4.34	-47.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300010958844	0	35	-1.0	-44.30	323.06	6.69	-37.61
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)CCC1	REAL300010958845	0	38	-1.0	-67.82	319.11	4.86	-62.96
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010958846	0	29	-1.0	-40.54	293.06	4.92	-35.62
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010958847	0	33	-1.0	-64.41	308.30	5.43	-58.98
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1I	REAL300010958848	0	32	-1.0	-52.62	301.60	6.05	-46.57
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958849	0	42	-1.0	-57.20	366.08	4.79	-52.41
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958850	0	45	-1.0	-56.86	387.95	5.72	-51.14
COC(=O)C1(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)CCCCC1	REAL300010958851	0	44	-1.0	-61.37	335.28	6.42	-54.95
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN=C1C	REAL300010958852	0	37	-1.0	-49.01	323.88	4.14	-44.87
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010958853	0	33	-1.0	-44.35	309.50	4.44	-39.91
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958854	0	38	-1.0	-51.45	349.58	6.52	-44.93
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010958855	0	45	-1.0	-62.91	387.73	6.23	-56.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010958856	0	31	-1.0	-42.37	303.11	4.27	-38.10
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300010958857	0	42	-1.0	-44.26	319.09	6.75	-37.51
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010958858	0	38	-1.0	-54.86	319.00	6.01	-48.85
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010958859	0	30	-1.0	-44.41	293.04	4.02	-40.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010958860	0	35	-1.0	-45.09	319.59	6.40	-38.69
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010958861	0	32	-1.0	-46.94	290.01	3.17	-43.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010958862	0	31	-1.0	-42.26	296.99	6.77	-35.49
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010958863	0	38	-1.0	-46.53	333.33	5.86	-40.67
CC1=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2N=C1Cl	REAL300010958864	0	37	-1.0	-53.10	332.58	5.82	-47.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300010958865	0	38	-1.0	-56.80	312.01	5.63	-51.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCOCC1=CC=CC=C1	REAL300010958866	0	39	-1.0	-46.57	340.93	5.52	-41.05
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C(C)C)=C1	REAL300010958867	0	56	-1.0	-46.38	410.60	10.27	-36.11
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010958868	0	34	-1.0	-50.58	311.73	5.99	-44.59
CCOC(=O)C1=CC=C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958869	0	41	-1.0	-44.40	362.10	7.06	-37.34
COC(=O)C1=NC=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958870	0	34	-1.0	-50.55	300.71	4.39	-46.16
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958871	0	36	-1.0	-51.27	324.79	4.75	-46.52
COC1=CC=C2C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)CCC2=C1	REAL300010958872	0	41	-1.0	-56.93	344.08	6.03	-50.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010958873	0	37	-1.0	-46.31	322.45	5.68	-40.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010958874	0	32	-1.0	-50.50	292.05	4.90	-45.60
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010958875	0	32	-1.0	-45.86	310.01	6.50	-39.36
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958876	0	43	-1.0	-51.25	378.49	3.00	-48.25
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958876	1	42	-2.0	-107.99	375.24	3.08	-104.91
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010958877	0	32	-1.0	-59.58	310.52	5.81	-53.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010958878	0	38	-1.0	-55.03	346.10	2.98	-52.05
CC1=CC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2C=C1	REAL300010958879	0	38	-1.0	-54.00	323.62	7.36	-46.64
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958880	0	38	-1.0	-46.52	335.71	6.27	-40.25
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010958881	0	44	-1.0	-62.73	379.12	4.79	-57.94
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958882	0	42	-1.0	-61.06	353.97	4.60	-56.46
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010958883	0	32	-1.0	-57.28	297.27	5.56	-51.72
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010958884	0	35	-1.0	-50.87	307.42	6.91	-43.96
CCC1=CC(CC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(CC)=C1	REAL300010958885	0	47	-1.0	-44.32	348.04	8.23	-36.09
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C12	REAL300010958886	0	48	-1.0	-52.21	397.76	5.19	-47.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010958887	0	36	-1.0	-57.29	312.19	4.17	-53.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010958888	0	31	-1.0	-53.32	304.49	4.35	-48.97
COC1=CC(OC)=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958889	0	37	-1.0	-49.50	330.94	4.38	-45.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010958890	0	37	-1.0	-51.57	326.60	2.91	-48.66
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010958891	0	40	-1.0	-54.41	334.89	1.86	-52.55
COC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010958892	0	33	-1.0	-50.70	301.74	4.29	-46.41
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010958893	0	32	-1.0	-45.41	294.26	2.17	-43.24
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958894	0	42	-1.0	-50.84	359.95	5.45	-45.39
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300010958895	0	38	-1.0	-50.19	326.80	7.58	-42.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010958896	0	33	-1.0	-48.24	300.38	4.93	-43.31
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010958897	0	33	-1.0	-47.88	310.71	5.38	-42.50
COC(=O)CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1F	REAL300010958898	0	38	-1.0	-58.29	338.63	5.92	-52.37
COC(CC1=CC=CC=C1)CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958899	0	42	-1.0	-44.77	352.64	6.64	-38.13
COC1=CC=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958900	0	33	-1.0	-49.07	290.63	4.67	-44.40
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010958901	0	32	-1.0	-58.57	318.29	6.20	-52.37
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010958902	0	32	-1.0	-58.28	316.97	6.14	-52.14
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010958903	0	32	-1.0	-50.56	295.84	3.51	-47.05
CCC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010958904	0	37	-1.0	-55.52	318.76	6.26	-49.26
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958905	0	45	-1.0	-51.10	360.40	6.92	-44.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010958906	0	36	-1.0	-54.71	331.56	6.81	-47.90
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010958907	0	36	-1.0	-51.42	327.69	6.64	-44.78
COC1=NC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958908	0	32	-1.0	-49.13	299.49	1.67	-47.46
CCOC(=O)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1	REAL300010958909	0	38	-1.0	-44.88	338.57	6.19	-38.69
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958910	0	38	-1.0	-52.20	350.04	6.08	-46.12
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010958911	0	32	-1.0	-42.80	302.15	5.99	-36.81
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010958912	0	32	-1.0	-50.73	291.72	5.51	-45.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010958913	0	35	-1.0	-61.26	304.33	5.41	-55.85
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2)=N1	REAL300010958914	0	38	-1.0	-51.11	349.48	6.09	-45.02
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300010958915	0	35	-1.0	-46.47	331.64	5.73	-40.74
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958916	0	38	-1.0	-50.53	337.02	5.89	-44.64
CC1=C(Br)C=CC=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958917	0	35	-1.0	-55.98	309.79	6.09	-49.89
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCC1CCOCC1	REAL300010958918	0	42	-1.0	-43.41	340.32	4.80	-38.61
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010958919	0	44	-1.0	-50.57	370.86	2.22	-48.35
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010958920	0	37	-1.0	-50.35	309.64	5.97	-44.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010958921	0	36	-1.0	-60.69	321.35	2.30	-58.39
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010958922	0	29	-1.0	-49.34	278.85	4.98	-44.36
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC(Br)=C1	REAL300010958923	0	29	-1.0	-42.26	286.58	4.98	-37.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010958924	0	38	-1.0	-57.46	320.07	4.79	-52.67
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958925	0	39	-1.0	-48.05	328.71	3.50	-44.55
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010958926	0	35	-1.0	-43.70	313.31	6.32	-37.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1F	REAL300010958927	0	35	-1.0	-45.28	312.49	6.28	-39.00
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010958928	0	35	-1.0	-44.37	319.55	6.62	-37.75
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958929	0	33	-1.0	-45.38	311.67	5.23	-40.15
COC1=CC2=C(C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1)C(=O)NCCC2	REAL300010958930	0	44	-1.0	-56.56	360.71	3.64	-52.92
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)S2)C1	REAL300010958931	0	40	-1.0	-46.38	350.29	5.18	-41.20
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)SC2=CC=C(C#N)C=C12	REAL300010958932	0	36	-1.0	-45.08	332.37	7.03	-38.05
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1CCOC1	REAL300010958933	0	40	-1.0	-60.61	324.72	1.88	-58.73
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010958934	0	32	-1.0	-58.48	306.62	5.69	-52.79
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010958935	0	33	-1.0	-43.71	312.72	2.01	-41.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010958936	0	32	-1.0	-59.22	303.67	5.59	-53.63
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010958937	0	29	-1.0	-48.62	294.24	5.56	-43.06
CC1=CC(C(N)=O)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958938	0	36	-1.0	-62.49	312.14	1.86	-60.63
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958939	0	54	-1.0	-55.17	437.85	9.17	-46.00
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1	REAL300010958940	0	44	-1.0	-56.48	366.09	6.77	-49.71
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958941	0	39	-1.0	-47.85	348.39	6.93	-40.92
COC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300010958942	0	43	-1.0	-55.17	364.35	7.49	-47.68
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010958943	0	43	-1.0	-53.60	373.70	7.78	-45.82
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C2)=N1	REAL300010958944	0	41	-1.0	-50.67	346.73	4.30	-46.37
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300010958945	0	39	-1.0	-62.97	325.28	5.59	-57.38
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010958946	0	41	-1.0	-56.22	340.84	5.90	-50.32
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)N(C)N=C1	REAL300010958947	0	35	-1.0	-46.11	304.89	3.66	-42.45
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1Cl	REAL300010958948	0	37	-1.0	-52.60	338.82	3.30	-49.30
COC(=O)C1=CC=CC2=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=CC=C12	REAL300010958949	0	41	-1.0	-50.27	349.16	7.49	-42.78
COC(=O)NC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C	REAL300010958950	0	40	-1.0	-56.69	342.17	3.52	-53.17
COC(=O)C1=CC(F)=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1F	REAL300010958951	0	35	-1.0	-46.38	321.31	5.29	-41.09
CC(=O)N1CCC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=C(Cl)C=C21	REAL300010958952	0	40	-1.0	-52.74	351.40	6.35	-46.39
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958953	0	42	-1.0	-54.68	347.04	6.07	-48.61
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1CCCC1	REAL300010958954	0	42	-1.0	-44.56	335.58	4.85	-39.71
COC(CS(=O)(=O)N(C)C1(C(=O)[O-])CC1)C1CCCCC1	REAL300010958955	0	45	-1.0	-44.35	353.34	5.76	-38.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010958956	0	32	-1.0	-54.07	297.94	3.77	-50.30
CCCOC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010958957	0	48	-1.0	-52.18	387.67	7.48	-44.70
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010958958	0	32	-1.0	-51.23	307.95	4.42	-46.81
COC1=CC(F)=CC=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958959	0	33	-1.0	-46.04	290.64	4.67	-41.37
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300010958960	0	37	-1.0	-42.16	322.62	6.93	-35.23
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010958961	0	42	-1.0	-47.95	364.76	6.99	-40.96
COC(=O)C1=C(C)C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)O1	REAL300010958962	0	35	-1.0	-50.41	314.65	3.77	-46.64
CCC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CN1CC1CC1	REAL300010958963	0	42	-1.0	-58.21	354.62	6.34	-51.87
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958964	0	35	-1.0	-50.72	325.55	6.80	-43.92
CC(=O)N1CC2=CC=C(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)C=C2C1	REAL300010958965	0	40	-1.0	-60.95	340.02	4.94	-56.01
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010958966	0	32	-1.0	-45.26	300.86	3.38	-41.88
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010958967	0	40	-1.0	-54.20	357.72	8.47	-45.73
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958968	0	32	-1.0	-44.87	301.14	6.04	-38.83
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010958969	0	39	-1.0	-53.22	317.52	7.67	-45.55
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300010958970	0	49	-1.0	-49.27	415.82	9.62	-39.65
CC1=CC=C(Br)C(CS(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958971	0	35	-1.0	-60.32	321.67	6.29	-54.03
COC1=CC=CC(Br)=C1CS(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958972	0	36	-1.0	-59.26	327.82	5.09	-54.17
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010958973	0	35	-1.0	-47.68	317.52	6.30	-41.38
CC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(F)=C1F	REAL300010958974	0	32	-1.0	-46.75	289.19	5.38	-41.37
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010958975	0	28	-1.0	-44.13	278.56	3.23	-40.90
CC(C)OC1=CN=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C1	REAL300010958976	0	38	-1.0	-50.21	320.79	3.44	-46.77
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010958977	0	35	-1.0	-52.31	313.80	3.12	-49.19
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010958978	0	36	-1.0	-51.87	329.41	3.69	-48.18
COC(=O)C1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)OC=C1	REAL300010958979	0	32	-1.0	-59.89	292.35	3.41	-56.48
CCC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C)C=C1OC	REAL300010958980	0	42	-1.0	-47.20	339.93	5.98	-41.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010958981	0	35	-1.0	-50.24	327.44	6.30	-43.94
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958982	0	37	-1.0	-53.09	331.27	5.59	-47.50
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010958983	0	31	-1.0	-58.98	274.99	3.13	-55.85
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958984	0	32	-1.0	-43.52	310.26	6.44	-37.08
CC1=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300010958985	0	38	-1.0	-51.75	308.54	7.59	-44.16
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010958986	0	36	-1.0	-44.87	320.62	4.58	-40.29
CC1=CC2=CC(S(=O)(=O)N(C)C3(C(=O)[O-])CC3)=CC=C2NC1=O	REAL300010958987	0	38	-1.0	-55.46	327.64	4.18	-51.28
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010958988	0	34	-1.0	-55.04	299.99	2.88	-52.16
CC1=NC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(C2=CC=CC=C2)S1	REAL300010958989	0	38	-1.0	-57.07	345.78	5.87	-51.20
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010958990	0	29	-1.0	-45.14	264.98	1.86	-43.28
CC1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(F)C=C1[N+](=O)[O-]	REAL300010958991	0	34	-1.0	-41.88	306.80	5.86	-36.02
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010958992	0	35	-1.0	-45.04	316.34	5.82	-39.22
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010958993	0	46	0.0	-63.42	362.30	3.83	-59.59
CN(C1(C(=O)[O-])CC1)S(=O)(=O)CCCN1CCN(C)CC1	REAL300010958993	1	45	-1.0	-43.43	360.54	1.59	-41.84
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010958994	0	29	-1.0	-46.08	277.87	2.60	-43.48
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=C(I)N(C)N=C1	REAL300010958995	0	29	-1.0	-44.67	283.23	3.10	-41.57
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010958996	0	33	-1.0	-39.64	290.80	5.64	-34.00
CC(C)OC1=CC=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C=N1	REAL300010958997	0	38	-1.0	-50.59	325.41	2.99	-47.60
CCCCN1C=C(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)C(C)=N1	REAL300010958998	0	41	-1.0	-47.90	343.12	5.27	-42.63
COC(=O)C1=CC(S(=O)(=O)N(C)C2(C(=O)[O-])CC2)=C(OC)C=C1F	REAL300010958999	0	39	-1.0	-48.60	343.40	5.28	-43.32
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N(C)C1(C(=O)[O-])CC1	REAL300010959000	0	39	-1.0	-56.15	333.65	5.48	-50.67
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1F	REAL300010965363	0	37	-1.0	-53.74	323.48	4.41	-49.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C2	REAL300010965364	0	37	-1.0	-57.01	338.65	4.73	-52.28
COC(=O)C1CCCCC1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965365	0	42	-1.0	-54.26	345.11	5.80	-48.46
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965366	0	45	-1.0	-54.77	365.17	5.15	-49.62
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965367	0	38	-1.0	-55.41	346.62	6.35	-49.06
CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965368	0	37	-1.0	-58.62	330.85	3.06	-55.56
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965369	0	38	-1.0	-54.36	333.47	6.12	-48.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC3=C1OCC3)C2	REAL300010965370	0	35	-1.0	-52.83	324.97	4.73	-48.10
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C2	REAL300010965371	0	30	-1.0	-49.73	302.29	5.28	-44.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300010965372	0	32	-1.0	-62.71	291.77	5.66	-57.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965373	0	27	-1.0	-48.95	278.92	2.91	-46.04
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965373	1	26	-2.0	-110.95	275.24	2.60	-108.35
N#CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300010965374	0	40	-1.0	-60.49	329.65	5.06	-55.43
CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300010965375	0	42	-1.0	-51.73	324.45	5.68	-46.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300010965376	0	32	-1.0	-52.71	302.78	4.85	-47.86
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965377	0	34	-1.0	-51.27	325.37	4.10	-47.17
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010965378	0	40	-1.0	-59.40	357.59	5.21	-54.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCN1C(=O)C3=CC=CC=C3C1=O)C2	REAL300010965379	0	43	-1.0	-61.17	385.93	5.26	-55.91
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010965380	0	37	-1.0	-56.44	335.49	1.90	-54.54
CCC1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965381	0	32	-1.0	-51.40	304.58	2.77	-48.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C4C(=C1)CC(=O)N4CCC3)C2	REAL300010965382	0	42	-1.0	-55.36	358.64	5.62	-49.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010965383	0	30	-1.0	-53.65	286.52	4.85	-48.80
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010965383	1	29	-2.0	-119.15	286.90	4.68	-114.47
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=N1	REAL300010965384	0	32	-1.0	-55.01	304.85	3.49	-51.52
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965385	0	35	-1.0	-54.81	324.04	4.34	-50.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C3=CC=CN=C31)C2	REAL300010965386	0	37	-1.0	-55.02	330.84	5.96	-49.06
CSC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965387	0	34	-1.0	-51.05	329.47	5.66	-45.39
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965388	0	32	-1.0	-53.65	313.86	4.56	-49.09
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965389	0	40	-1.0	-61.07	357.39	0.72	-60.35
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300010965390	0	33	-1.0	-50.53	315.38	2.14	-48.39
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965391	0	35	-1.0	-56.46	317.04	4.67	-51.79
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965392	0	39	-1.0	-58.57	350.22	5.14	-53.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3CCOC3)C(F)=C1)C2	REAL300010965393	0	45	-1.0	-52.80	388.25	4.62	-48.18
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C2	REAL300010965394	0	29	-1.0	-51.55	295.73	3.95	-47.60
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965395	0	48	0.0	-83.13	390.08	5.35	-77.78
CCC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965396	0	39	-1.0	-53.65	340.99	6.33	-47.32
CC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965397	0	36	-1.0	-55.32	325.13	5.59	-49.73
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965398	0	33	-1.0	-48.52	310.29	5.58	-42.94
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC=CC(F)=C13)C2	REAL300010965399	0	34	-1.0	-61.92	313.18	4.24	-57.68
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C2	REAL300010965400	0	30	-1.0	-49.11	293.63	4.57	-44.54
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965401	0	38	-1.0	-56.91	326.74	4.73	-52.18
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010965402	0	57	-1.0	-54.76	459.89	8.69	-46.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3OCC1)C2	REAL300010965403	0	39	-1.0	-51.79	336.30	5.62	-46.17
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965404	0	44	-1.0	-55.50	396.78	5.25	-50.25
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965405	0	31	-1.0	-52.72	308.57	5.14	-47.58
CC1=NC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300010965406	0	32	-1.0	-54.62	304.94	2.57	-52.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300010965407	0	33	-1.0	-55.36	318.53	3.25	-52.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=C(Br)C=C3C=C1)C2	REAL300010965408	0	36	-1.0	-51.66	341.75	7.07	-44.59
COC(=O)CCCCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965409	0	41	-1.0	-57.71	358.15	5.02	-52.69
CN1N=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CN=C21	REAL300010965410	0	35	-1.0	-53.70	318.89	3.30	-50.40
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965411	0	38	-1.0	-56.19	341.68	2.39	-53.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C2	REAL300010965413	0	33	-1.0	-49.38	329.98	5.69	-43.69
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965414	0	41	-1.0	-56.39	339.90	2.47	-53.92
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965415	0	36	-1.0	-50.88	338.03	5.01	-45.87
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965416	0	40	-1.0	-52.80	363.83	3.39	-49.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C1)C2	REAL300010965417	0	41	-1.0	-58.94	373.20	6.02	-52.92
COC1=CC=C(CCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965418	0	40	-1.0	-54.74	349.08	4.98	-49.76
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C2	REAL300010965419	0	33	-1.0	-53.85	313.64	3.04	-50.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=C3OCCC3=C1)C2	REAL300010965420	0	41	-1.0	-55.31	355.47	5.52	-49.79
CC1=CC=NC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C12	REAL300010965421	0	38	-1.0	-57.83	323.32	5.96	-51.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C2	REAL300010965422	0	33	-1.0	-52.07	306.73	5.05	-47.02
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C2	REAL300010965423	0	33	-1.0	-49.25	311.06	4.94	-44.31
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965424	0	33	-1.0	-49.55	317.22	5.46	-44.09
CSC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965425	0	34	-1.0	-56.07	310.79	5.25	-50.82
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965426	0	41	-1.0	-63.08	352.68	4.21	-58.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C2	REAL300010965427	0	42	-1.0	-59.61	363.49	4.20	-55.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C2	REAL300010965428	0	36	-1.0	-53.15	354.98	2.30	-50.85
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(C3=CC=CC=C3)N=C1)C2	REAL300010965429	0	38	-1.0	-53.78	344.01	5.46	-48.32
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965430	0	40	-1.0	-52.80	363.83	3.39	-49.41
CN(C)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965431	0	38	-1.0	-52.61	327.07	4.60	-48.01
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C2	REAL300010965432	0	33	-1.0	-53.84	321.00	5.45	-48.39
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(OC)=C1	REAL300010965433	0	40	-1.0	-55.34	357.99	4.60	-50.74
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=CS1	REAL300010965434	0	36	-1.0	-56.87	329.19	5.43	-51.44
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1F	REAL300010965435	0	34	-1.0	-51.97	310.22	3.55	-48.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965436	0	41	-1.0	-53.62	364.75	4.22	-49.40
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965437	0	44	-1.0	-56.54	392.46	5.49	-51.05
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965438	0	39	-1.0	-51.26	324.09	6.11	-45.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C2	REAL300010965439	0	44	-1.0	-52.58	389.68	7.55	-45.03
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965440	0	38	-1.0	-55.26	346.84	6.34	-48.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300010965441	0	30	-1.0	-48.20	308.45	5.01	-43.19
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C2	REAL300010965441	1	29	-2.0	-109.34	312.44	5.02	-104.32
C[NH+](C)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965442	0	42	0.0	-79.32	352.88	6.08	-73.24
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965443	0	38	-1.0	-53.39	327.09	4.60	-48.79
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2O1	REAL300010965444	0	45	-1.0	-54.26	398.25	6.86	-47.40
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CS1)C2	REAL300010965445	0	33	-1.0	-52.78	310.11	4.76	-48.02
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965446	0	42	-1.0	-52.68	366.67	6.55	-46.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300010965447	0	30	-1.0	-53.08	309.84	5.29	-47.79
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C2	REAL300010965447	1	29	-2.0	-109.53	306.02	5.00	-104.53
CC1=C(Cl)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965448	0	30	-1.0	-48.41	303.49	4.40	-44.01
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3OC1)C2	REAL300010965449	0	36	-1.0	-53.77	320.28	4.69	-49.08
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965450	0	34	-1.0	-51.06	301.81	3.24	-47.82
CC1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1[N+](=O)[O-]	REAL300010965451	0	38	-1.0	-62.11	330.41	7.12	-54.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C2	REAL300010965452	0	36	-1.0	-52.57	335.50	5.96	-46.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1[N+](=O)[O-]	REAL300010965453	0	40	-1.0	-49.09	363.23	7.15	-41.94
CC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965454	0	33	-1.0	-47.78	316.96	5.64	-42.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3N=C1)C2	REAL300010965455	0	35	-1.0	-53.81	315.46	4.55	-49.26
CC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965456	0	36	-1.0	-55.97	325.07	5.60	-50.37
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965457	0	38	-1.0	-50.30	335.83	6.38	-43.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C2	REAL300010965458	0	30	-1.0	-53.89	306.04	5.36	-48.53
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1[N+](=O)[O-]	REAL300010965459	0	40	-1.0	-49.09	363.23	7.15	-41.94
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C2	REAL300010965460	0	29	-1.0	-49.50	292.27	2.86	-46.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C2	REAL300010965461	0	30	-1.0	-50.76	310.63	5.26	-45.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3ON=C(C4=CC=CC=C4)C3=C1)C2	REAL300010965462	0	41	-1.0	-55.59	370.80	4.01	-51.58
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C2	REAL300010965463	0	29	-2.0	-112.56	292.25	4.28	-108.28
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965464	0	40	-1.0	-54.76	333.33	5.73	-49.03
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C#N	REAL300010965465	0	34	-1.0	-52.16	314.22	5.08	-47.08
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965466	0	36	-1.0	-56.00	333.82	4.87	-51.13
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965467	0	34	-1.0	-52.20	319.70	4.46	-47.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C2	REAL300010965468	0	31	-1.0	-51.92	302.08	2.94	-48.98
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1CC3=CC=CC=C3C1)C2	REAL300010965469	0	43	-1.0	-54.24	361.60	7.41	-46.83
CC(C)(C)C1=CC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=NO1	REAL300010965470	0	41	-1.0	-54.61	356.50	4.88	-49.73
O=C([O-])[C@]12C[C@H]1[C@H](NC(=O)N1CCC(CC3=CC=CC=C3)CC1)C2	REAL300010965471	0	47	-1.0	-49.49	369.55	10.38	-39.11
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C12	REAL300010965472	0	44	-1.0	-53.21	369.03	6.39	-46.82
COC1=CC=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965473	0	37	-1.0	-51.93	318.89	4.37	-47.56
COC(=O)C1=CN=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965474	0	35	-1.0	-54.28	324.49	3.03	-51.25
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965475	0	31	-1.0	-51.02	314.76	5.08	-45.94
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C2	REAL300010965476	0	32	-1.0	-49.53	328.79	5.76	-43.77
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C2	REAL300010965476	1	31	-2.0	-101.86	324.96	5.50	-96.36
COC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965477	0	37	-1.0	-49.75	334.51	4.93	-44.82
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965478	0	36	-1.0	-48.85	346.14	4.70	-44.15
CN(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965479	0	37	-1.0	-52.91	323.86	3.90	-49.01
COC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300010965480	0	38	-1.0	-52.69	346.48	3.96	-48.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C2	REAL300010965481	0	34	-1.0	-53.55	319.97	3.82	-49.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C2	REAL300010965482	0	33	-1.0	-49.93	318.59	5.24	-44.69
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965483	0	41	-1.0	-55.27	365.59	1.28	-53.99
CCOC(=O)C1=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2S1	REAL300010965484	0	42	-1.0	-54.75	389.19	7.23	-47.52
N#CCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965485	0	34	-1.0	-56.77	316.80	5.34	-51.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C2	REAL300010965486	0	36	-1.0	-60.10	328.61	3.40	-56.70
CS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965487	0	35	-1.0	-60.25	331.31	-0.21	-60.46
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965488	0	36	-1.0	-50.98	327.05	4.61	-46.37
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965489	0	38	-1.0	-57.00	350.85	6.03	-50.97
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300010965490	0	34	-1.0	-51.38	320.47	4.22	-47.16
CC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OCO2	REAL300010965491	0	36	-1.0	-50.74	314.99	3.74	-47.00
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965492	0	36	-1.0	-58.71	325.20	5.29	-53.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C2	REAL300010965493	0	30	-1.0	-51.37	304.82	5.25	-46.12
CC1=CC(F)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965494	0	36	-1.0	-49.05	307.67	5.86	-43.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C2	REAL300010965495	0	30	-1.0	-50.08	307.83	5.42	-44.66
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)OCC(=O)N2	REAL300010965496	0	40	-1.0	-56.03	353.98	1.16	-54.87
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C2	REAL300010965497	0	31	-2.0	-106.55	320.75	5.11	-101.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C2	REAL300010965497	1	32	-1.0	-48.23	316.72	5.12	-43.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C2	REAL300010965498	0	32	-1.0	-48.68	313.00	4.98	-43.70
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C2	REAL300010965498	1	31	-2.0	-103.46	316.98	4.99	-98.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C2	REAL300010965499	0	30	-1.0	-47.95	300.11	5.44	-42.51
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C2	REAL300010965499	1	29	-2.0	-107.04	301.17	5.26	-101.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=NSN=C31)C2	REAL300010965500	0	31	-1.0	-54.09	292.12	2.66	-51.43
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C2	REAL300010965501	0	30	-1.0	-51.69	292.93	4.54	-47.15
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1OC	REAL300010965502	0	40	-1.0	-55.32	356.58	4.90	-50.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C2	REAL300010965503	0	30	-1.0	-50.07	307.73	5.43	-44.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C2	REAL300010965504	0	33	-1.0	-54.52	315.13	5.39	-49.13
CC(=O)NC1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965505	0	33	-1.0	-60.41	319.52	1.67	-58.74
CC(=O)[N-]C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965505	1	32	-2.0	-97.43	315.93	0.56	-96.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C2	REAL300010965506	0	33	-1.0	-54.48	319.70	5.49	-48.99
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965507	0	34	-1.0	-54.39	325.77	1.47	-52.92
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965508	0	39	-1.0	-59.36	340.59	6.60	-52.76
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965509	0	38	-1.0	-59.59	331.29	2.57	-57.02
NC(=O)C1=CC(Br)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965510	0	34	-1.0	-54.30	330.34	1.57	-52.73
CCOC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965511	0	37	-1.0	-54.38	325.92	4.40	-49.98
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2O1	REAL300010965512	0	41	-1.0	-54.12	344.87	5.49	-48.63
N#CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C(F)(F)F	REAL300010965513	0	34	-1.0	-54.91	330.93	5.37	-49.54
COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965514	0	39	-1.0	-54.91	336.64	2.96	-51.95
CC1=CC=C(CCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965515	0	39	-1.0	-53.16	341.00	6.35	-46.81
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965516	0	37	-1.0	-54.56	344.28	4.75	-49.81
N#CC1CN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCO1	REAL300010965517	0	34	-1.0	-52.92	304.00	1.42	-51.50
CCN(CC(C)C#N)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965518	0	38	-1.0	-54.81	323.82	3.91	-50.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCO3)C2	REAL300010965519	0	33	-1.0	-53.01	290.96	2.66	-50.35
N#CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965520	0	31	-1.0	-60.90	312.44	4.97	-55.93
N#CC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965521	0	31	-1.0	-56.32	314.11	5.09	-51.23
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965522	0	36	-1.0	-48.78	328.19	5.99	-42.79
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C3CCC(=O)C3=C1)C2	REAL300010965523	0	36	-1.0	-55.96	335.87	5.75	-50.21
COCCOCCOCCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965524	0	44	-1.0	-56.51	382.82	1.48	-55.03
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965525	0	40	-1.0	-63.39	355.24	1.57	-61.82
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300010965526	0	29	-2.0	-114.19	293.18	4.74	-109.45
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C2	REAL300010965526	1	30	-1.0	-50.77	295.78	5.00	-45.77
CC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2CC1	REAL300010965527	0	47	-1.0	-59.55	385.81	6.07	-53.48
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(F)(F)F	REAL300010965528	0	39	-1.0	-56.57	359.19	5.66	-50.91
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300010965529	0	40	-1.0	-51.37	359.80	5.87	-45.50
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965530	0	39	-1.0	-52.52	352.21	6.95	-45.57
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965531	0	39	-1.0	-52.22	348.02	6.67	-45.55
CN(C(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCS(=O)(=O)C1	REAL300010965532	0	37	-1.0	-56.48	310.81	2.85	-53.63
CNC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965533	0	40	-1.0	-60.14	354.58	3.17	-56.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C2	REAL300010965534	0	30	-1.0	-50.61	289.11	4.46	-46.15
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C2	REAL300010965534	1	29	-2.0	-115.88	293.37	4.46	-111.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C2	REAL300010965535	0	43	-1.0	-55.40	375.13	5.73	-49.67
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1Cl	REAL300010965536	0	39	-1.0	-50.16	361.45	5.91	-44.25
CCOC(=O)C1=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1Cl	REAL300010965536	1	38	-2.0	-110.13	365.47	5.91	-104.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C2	REAL300010965537	0	32	-1.0	-53.47	317.70	5.91	-47.56
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C2	REAL300010965537	1	31	-2.0	-113.82	318.43	5.72	-108.10
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C2	REAL300010965538	0	39	-1.0	-60.51	335.48	1.35	-59.16
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965539	0	37	-2.0	-113.35	338.55	5.40	-107.95
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300010965540	0	41	-1.0	-54.66	361.46	4.03	-50.63
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1C	REAL300010965541	0	42	-1.0	-51.31	364.96	6.04	-45.27
COCCNC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965542	0	44	-1.0	-57.38	386.12	2.38	-55.00
COCC1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965543	0	41	-1.0	-55.10	349.64	3.77	-51.33
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965544	0	43	-1.0	-55.18	379.51	5.53	-49.65
CCOC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C	REAL300010965545	0	42	-1.0	-54.11	366.96	6.29	-47.82
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC3=CC=CC=C31)C2	REAL300010965546	0	33	-1.0	-52.18	310.87	5.55	-46.63
CCOC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965547	0	42	-1.0	-56.22	373.37	6.53	-49.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965548	0	36	-1.0	-51.42	351.06	6.73	-44.69
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965548	1	35	-2.0	-120.20	348.10	6.46	-113.74
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C2	REAL300010965549	0	33	-1.0	-51.90	312.92	6.13	-45.77
CC(COC1CCCC1)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965550	0	46	-1.0	-53.08	375.20	5.55	-47.53
CC1=C(CCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC=N1	REAL300010965551	0	35	-1.0	-54.58	323.80	3.41	-51.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C2	REAL300010965552	0	36	-1.0	-53.93	336.33	6.18	-47.75
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965553	0	39	-1.0	-54.39	348.98	5.52	-48.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C3=CC=CC=C3)=C1)C2	REAL300010965554	0	40	-1.0	-54.36	348.45	7.60	-46.76
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965555	0	44	-1.0	-56.27	393.66	1.97	-54.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C2	REAL300010965556	0	33	-1.0	-52.63	314.78	5.45	-47.18
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010965557	0	42	-1.0	-57.85	376.57	5.39	-52.46
CS(=O)(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300010965558	0	36	-1.0	-55.05	344.74	2.12	-52.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C2	REAL300010965559	0	34	-1.0	-53.15	321.18	5.03	-48.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C2	REAL300010965560	0	33	-1.0	-52.50	306.70	5.05	-47.45
CC1=NC(Cl)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965561	0	32	-1.0	-50.83	301.19	3.58	-47.25
CC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300010965562	0	33	-1.0	-54.34	315.13	3.62	-50.72
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(Br)N1C	REAL300010965562	1	32	-2.0	-125.35	312.35	3.36	-121.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C2	REAL300010965563	0	31	-1.0	-52.51	297.91	3.04	-49.47
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965564	0	38	-1.0	-53.06	323.26	4.09	-48.97
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965565	0	43	-1.0	-58.71	366.72	5.01	-53.70
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C2	REAL300010965566	0	33	-2.0	-97.45	320.34	3.66	-93.79
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C2	REAL300010965566	1	34	-1.0	-51.65	322.91	2.88	-48.77
CCOC(=O)CC1(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965567	0	39	-1.0	-55.79	338.15	5.40	-50.39
N#CC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965568	0	31	-1.0	-49.48	312.77	4.84	-44.64
N#CC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965568	1	30	-2.0	-106.46	316.80	4.84	-101.62
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965569	0	41	-1.0	-57.18	373.11	3.41	-53.77
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)OC(C)C	REAL300010965570	0	45	-1.0	-51.52	387.42	7.00	-44.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965571	0	42	-1.0	-58.58	378.18	3.39	-55.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)C=NC3=C1)C2	REAL300010965572	0	35	-1.0	-56.30	320.69	1.39	-54.91
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCC1	REAL300010965573	0	42	-1.0	-57.20	348.63	5.30	-51.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C2	REAL300010965574	0	29	-1.0	-49.14	305.84	3.37	-45.77
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965575	0	37	-1.0	-50.87	346.37	4.41	-46.46
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1C(F)(F)F	REAL300010965576	0	36	-1.0	-50.43	328.71	5.70	-44.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3=CC=C(Cl)C=C3)C=C1)C2	REAL300010965577	0	41	-1.0	-51.43	380.00	7.55	-43.88
COC(=O)CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965578	0	39	-1.0	-56.56	351.51	5.61	-50.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3N=CSC3=CC=C1)C2	REAL300010965579	0	32	-1.0	-55.59	297.86	4.09	-51.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C2	REAL300010965580	0	36	-1.0	-52.68	336.07	6.10	-46.58
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCC1	REAL300010965581	0	39	-1.0	-56.38	333.61	4.60	-51.78
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C2	REAL300010965582	0	30	-1.0	-49.08	307.13	4.37	-44.71
N#CC1=CC(F)=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965583	0	34	-1.0	-53.84	322.87	5.18	-48.66
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965584	0	43	-1.0	-54.80	384.42	4.54	-50.26
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965585	0	46	-1.0	-56.86	406.28	5.47	-51.39
COC(=O)C1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300010965586	0	45	-1.0	-56.48	360.83	5.66	-50.82
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1C	REAL300010965587	0	38	-1.0	-51.41	340.77	3.52	-47.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C2	REAL300010965588	0	34	-1.0	-51.40	318.21	3.75	-47.65
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965589	0	39	-1.0	-52.84	367.90	6.27	-46.57
N#CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965590	0	31	-1.0	-51.77	300.97	4.62	-47.15
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1CCOCC1)C2	REAL300010965591	0	40	-1.0	-53.41	331.52	3.45	-49.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCCN1C(=O)C3=CC=CC=C3C1=O)C2	REAL300010965592	0	46	-1.0	-60.47	407.43	6.04	-54.43
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965593	0	33	-1.0	-50.56	304.69	4.81	-45.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C2	REAL300010965594	0	32	-1.0	-54.10	322.27	3.93	-50.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC13CCC(CC1)CC3)C2	REAL300010965595	0	43	-1.0	-51.78	331.74	6.19	-45.59
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3C(=O)CCCC3=C1)C2	REAL300010965596	0	39	-1.0	-53.03	339.11	5.79	-47.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C3=NON=C31)C2	REAL300010965597	0	31	-1.0	-52.04	301.71	3.53	-48.51
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C2	REAL300010965598	0	36	-1.0	-55.26	332.27	5.82	-49.44
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=N1	REAL300010965599	0	33	-1.0	-58.35	314.21	3.06	-55.29
CN1C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(F)(F)F)=N1	REAL300010965599	1	32	-2.0	-117.56	309.51	2.72	-114.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C2	REAL300010965600	0	32	-1.0	-53.57	314.63	6.23	-47.34
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	REAL300010965600	1	31	-2.0	-112.43	309.02	5.88	-106.55
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1C	REAL300010965601	0	39	-1.0	-51.52	343.09	5.13	-46.39
CC1=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2N=C1Cl	REAL300010965602	0	38	-1.0	-52.96	351.05	5.58	-47.38
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C2	REAL300010965603	0	39	-1.0	-52.85	327.69	5.31	-47.54
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C2	REAL300010965604	0	40	-1.0	-53.83	353.60	4.94	-48.89
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(C)C)=C1	REAL300010965605	0	57	-1.0	-50.16	432.36	10.18	-39.98
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C(Cl)C=CN=C13)C2	REAL300010965606	0	35	-1.0	-55.18	319.98	5.83	-49.35
CCOC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965607	0	42	-1.0	-56.42	374.78	6.48	-49.94
COC(=O)C1=NC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965608	0	35	-1.0	-59.74	314.61	3.88	-55.86
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965609	0	37	-1.0	-51.19	342.73	4.48	-46.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3)C=C1)C2	REAL300010965610	0	37	-1.0	-51.63	323.82	6.28	-45.35
COC1=CC=C2C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)CCC2=C1	REAL300010965611	0	42	-1.0	-53.08	358.21	5.88	-47.20
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3CC3)C=C1)C2	REAL300010965612	0	38	-1.0	-52.65	334.82	5.15	-47.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300010965613	0	33	-1.0	-50.81	310.72	4.63	-46.18
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC3=CC(F)=CC=C3O1)C2	REAL300010965613	1	32	-2.0	-113.24	307.03	4.34	-108.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C3=CC=CC=C3S1)C2	REAL300010965614	0	33	-1.0	-51.72	322.39	5.78	-45.94
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3S1)C2	REAL300010965614	1	32	-2.0	-118.43	322.43	5.93	-112.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C2	REAL300010965615	0	33	-1.0	-53.77	325.42	5.54	-48.23
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965616	0	39	-1.0	-64.46	359.08	2.39	-62.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3OC=CC3=CC=C1)C2	REAL300010965617	0	33	-1.0	-54.43	295.87	4.39	-50.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1CCCCC1)C2	REAL300010965618	0	42	-1.0	-52.24	340.68	5.83	-46.41
CC1=CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C=C1	REAL300010965619	0	39	-1.0	-53.13	341.85	7.12	-46.01
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C2	REAL300010965620	0	27	-1.0	-51.55	278.99	3.82	-47.73
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C2	REAL300010965620	1	26	-2.0	-113.12	276.75	3.44	-109.68
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965621	0	39	-1.0	-50.30	357.75	6.13	-44.17
O=C(COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1)NC1CC1	REAL300010965622	0	45	-1.0	-60.99	396.12	4.73	-56.26
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965623	0	43	-1.0	-55.50	370.28	4.54	-50.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C2	REAL300010965624	0	33	-1.0	-54.53	317.28	5.35	-49.18
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C3=CC=CC=C3C=C1)C2	REAL300010965625	0	36	-1.0	-53.54	317.27	6.20	-47.34
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(CC)=C1	REAL300010965626	0	48	-1.0	-48.93	374.96	8.84	-40.09
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCOC3=C1)C2	REAL300010965627	0	35	-1.0	-55.39	310.38	4.02	-51.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCC(=O)C3=C1)C2	REAL300010965628	0	37	-1.0	-58.48	330.29	3.94	-54.54
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3SC(Cl)=NC3=C1)C2	REAL300010965629	0	32	-1.0	-54.54	322.42	4.11	-50.43
COC1=CC(OC)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965630	0	38	-1.0	-52.98	348.52	3.81	-49.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3ON=C(C4CC4)C3=C1)C2	REAL300010965631	0	38	-1.0	-54.40	345.72	2.74	-51.66
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965632	0	35	-1.0	-60.58	328.53	-0.86	-61.44
CC(C)(CCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)S(C)(=O)=O	REAL300010965633	0	41	-1.0	-64.81	347.59	1.28	-63.53
COC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300010965634	0	34	-1.0	-51.29	320.03	4.04	-47.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C(C=C1F)NC(=O)O3)C2	REAL300010965635	0	33	-1.0	-52.91	303.71	1.45	-51.46
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965636	0	43	-1.0	-54.61	370.67	5.36	-49.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCC3)C2	REAL300010965637	0	35	-1.0	-54.31	303.55	4.11	-50.20
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC(C)=C2S1	REAL300010965638	0	39	-1.0	-51.07	345.62	7.18	-43.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C2	REAL300010965639	0	34	-1.0	-52.12	319.45	4.23	-47.89
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C2	REAL300010965640	0	34	-1.0	-51.99	329.78	4.68	-47.31
COC(=O)CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965641	0	39	-1.0	-54.96	356.65	5.67	-49.29
COC(CC1=CC=CC=C1)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965642	0	43	-1.0	-56.14	365.98	6.11	-50.03
COC(CC(C)C)CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965643	0	42	-1.0	-51.87	346.08	3.67	-48.20
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965644	0	34	-1.0	-52.42	309.37	4.01	-48.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C2	REAL300010965645	0	33	-1.0	-53.08	333.22	5.94	-47.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCC1CCOC1)C2	REAL300010965646	0	40	-1.0	-54.24	336.27	3.49	-50.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C2	REAL300010965647	0	33	-1.0	-52.42	331.64	5.95	-46.47
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OC(F)(F)OC3=C1)C2	REAL300010965648	0	33	-1.0	-50.29	313.83	3.28	-47.01
CCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1[N+](=O)[O-]	REAL300010965649	0	38	-1.0	-57.44	336.67	6.03	-51.41
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965650	0	46	-1.0	-55.03	379.48	6.24	-48.79
CN1C=C(Br)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965651	0	37	-1.0	-53.67	350.00	6.57	-47.10
N#CCC1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965652	0	37	-1.0	-59.27	340.35	6.06	-53.21
COC1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965653	0	33	-1.0	-50.95	317.78	1.41	-49.54
CCOC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1	REAL300010965654	0	39	-1.0	-50.61	348.91	5.53	-45.08
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965655	0	39	-1.0	-51.14	368.01	5.82	-45.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C2	REAL300010965656	0	33	-1.0	-53.07	314.84	5.40	-47.67
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Cl	REAL300010965657	0	33	-1.0	-50.48	309.72	5.29	-45.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCC(=O)C3=C1)C2	REAL300010965658	0	36	-1.0	-55.64	322.63	5.17	-50.47
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)=N1	REAL300010965659	0	39	-1.0	-52.85	360.53	5.65	-47.20
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965660	0	36	-1.0	-52.03	341.72	5.07	-46.96
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965660	1	35	-2.0	-120.85	346.00	5.06	-115.79
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965661	0	39	-1.0	-53.92	347.03	5.21	-48.71
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965662	0	37	-1.0	-51.94	325.86	4.40	-47.54
CC1=C(Br)C=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965663	0	36	-1.0	-53.16	330.82	6.05	-47.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCC1CCOCC1)C2	REAL300010965664	0	43	-1.0	-53.67	353.00	4.23	-49.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3ON=C(C4CCOCC4)C3=C1)C2	REAL300010965665	0	45	-1.0	-56.94	388.88	1.99	-54.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCCC3)C2	REAL300010965666	0	38	-1.0	-56.34	326.91	5.39	-50.95
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CS(=O)(=O)CC3=C1)C2	REAL300010965667	0	37	-1.0	-60.80	339.36	2.05	-58.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C2	REAL300010965668	0	30	-1.0	-51.41	297.10	4.75	-46.66
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC(Br)=C1	REAL300010965669	0	30	-1.0	-49.65	300.45	4.28	-45.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=C1OCCCO3)C2	REAL300010965670	0	39	-1.0	-54.31	327.59	4.52	-49.79
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965671	0	40	-1.0	-58.73	348.52	3.13	-55.60
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C2	REAL300010965672	0	36	-1.0	-53.95	325.99	5.74	-48.21
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C2	REAL300010965673	0	36	-1.0	-53.73	325.45	5.70	-48.03
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C2	REAL300010965674	0	36	-1.0	-52.88	332.55	6.03	-46.85
COC1=CC(F)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965675	0	34	-1.0	-51.49	321.54	4.71	-46.78
COC1=CC2=C(C=C1S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)C(=O)NCCC2	REAL300010965676	0	45	-1.0	-58.84	379.10	3.03	-55.81
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)S2)C1	REAL300010965677	0	41	-1.0	-54.61	364.41	4.62	-49.99
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)SC2=CC=C(C#N)C=C12	REAL300010965678	0	37	-1.0	-52.39	344.75	6.31	-46.08
COC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965679	0	39	-1.0	-51.50	325.09	2.39	-49.11
COC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCOC1	REAL300010965680	0	41	-1.0	-56.07	338.23	2.11	-53.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C2	REAL300010965681	0	33	-1.0	-52.67	321.32	5.51	-47.16
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C2	REAL300010965682	0	33	-1.0	-53.10	318.07	5.39	-47.71
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C2	REAL300010965683	0	30	-1.0	-48.68	312.55	5.31	-43.37
CC1=CC(C(N)=O)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965684	0	37	-1.0	-56.87	330.44	1.61	-55.26
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965685	0	55	-1.0	-51.76	454.63	9.11	-42.65
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965686	0	45	-1.0	-55.63	384.45	6.53	-49.10
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C2	REAL300010965687	0	30	-1.0	-51.27	301.51	4.84	-46.43
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965688	0	36	-1.0	-56.00	333.82	4.87	-51.13
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C1=CC=CC=C1	REAL300010965689	0	44	-1.0	-52.88	382.76	7.25	-45.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCC3=CC=CC=C3)C(F)=C1)C2	REAL300010965690	0	44	-1.0	-53.13	391.74	7.54	-45.59
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=NC=CC=C1Br)C2	REAL300010965691	0	29	-1.0	-53.63	283.91	3.17	-50.46
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C2	REAL300010965691	1	28	-2.0	-121.45	283.37	2.66	-118.79
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2)=N1	REAL300010965692	0	42	-1.0	-53.22	368.05	4.07	-49.15
COC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1=CC=C(F)C=C1	REAL300010965693	0	40	-1.0	-53.00	357.41	4.86	-48.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C4C(=C1)CCC(=O)N4CC3)C2	REAL300010965694	0	42	-1.0	-55.67	358.48	5.62	-50.05
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N(C)N=C1	REAL300010965695	0	36	-1.0	-51.32	319.59	3.09	-48.23
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010965696	0	38	-1.0	-52.58	356.14	3.08	-49.50
COC(=O)C1=CC=CC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C12	REAL300010965697	0	42	-1.0	-53.15	365.70	7.05	-46.10
COC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965698	0	41	-1.0	-54.11	358.97	3.27	-50.84
CCOC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC1	REAL300010965699	0	40	-1.0	-53.79	339.60	4.48	-49.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965700	0	36	-1.0	-52.22	331.39	4.63	-47.59
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965700	1	35	-2.0	-120.14	335.68	4.62	-115.52
CC(=O)N1CCC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C(Cl)C=C21	REAL300010965701	0	41	-1.0	-63.12	367.34	5.77	-57.35
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965702	0	43	-1.0	-52.03	364.63	5.84	-46.19
COC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCCC1	REAL300010965703	0	43	-1.0	-53.46	348.24	4.28	-49.18
COC(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CCCCC1	REAL300010965704	0	46	-1.0	-53.51	366.01	5.20	-48.31
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(C3CC3)S1)C2	REAL300010965705	0	33	-1.0	-51.55	314.31	3.69	-47.86
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300010965706	0	49	-1.0	-51.74	405.74	7.23	-44.51
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=C(Br)C=C13)C2	REAL300010965707	0	33	-1.0	-58.25	324.01	3.99	-54.26
COC1=CC(F)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965708	0	34	-1.0	-53.17	309.66	4.00	-49.17
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1[N+](=O)[O-]	REAL300010965709	0	38	-1.0	-55.55	338.81	6.52	-49.03
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965710	0	37	-1.0	-50.88	319.63	4.02	-46.86
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C2	REAL300010965711	0	43	-1.0	-52.15	376.87	6.44	-45.71
COC(=O)C1=C(C)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965712	0	36	-1.0	-51.41	331.69	3.57	-47.84
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965712	1	35	-2.0	-112.37	328.63	3.26	-109.11
CCC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1CC1CC1	REAL300010965713	0	43	-1.0	-55.49	372.94	6.13	-49.36
CC(=O)N1CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C1	REAL300010965714	0	41	-1.0	-57.07	359.50	4.74	-52.33
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965715	0	33	-1.0	-50.21	316.16	2.80	-47.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(SC3=CC=CC=C3)=C1)C2	REAL300010965716	0	41	-1.0	-52.21	375.14	8.28	-43.93
CC1=CC(Br)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965717	0	33	-1.0	-47.88	316.98	5.63	-42.25
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCC4=C3C1=CC=C4)C2	REAL300010965718	0	40	-1.0	-55.90	340.35	7.60	-48.30
CC1=CC=C(Br)C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965719	0	36	-1.0	-54.01	336.22	6.11	-47.90
COC1=CC=CC(Br)=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965720	0	37	-1.0	-55.49	343.16	4.82	-50.67
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C2	REAL300010965721	0	36	-1.0	-54.29	330.20	5.73	-48.56
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(F)=C1F	REAL300010965722	0	33	-1.0	-52.45	298.95	4.65	-47.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C2	REAL300010965723	0	29	-1.0	-50.53	288.83	2.53	-48.00
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C2	REAL300010965723	1	28	-2.0	-113.78	292.83	2.55	-111.23
CC(C)OC1=CN=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965724	0	39	-1.0	-50.72	339.02	3.24	-47.48
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C2	REAL300010965725	0	36	-1.0	-57.03	314.18	2.23	-54.80
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(NC(=O)C(F)(F)F)=CC=C1)C2	REAL300010965726	0	37	-1.0	-55.75	350.12	3.48	-52.27
COC(=O)C1=C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC=C1	REAL300010965727	0	32	-2.0	-122.29	304.22	3.27	-119.02
COC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)OC=C1	REAL300010965727	1	33	-1.0	-56.87	307.28	3.55	-53.32
CCC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)C=C1OC	REAL300010965728	0	43	-1.0	-50.88	360.57	5.85	-45.03
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C2	REAL300010965729	0	36	-1.0	-49.98	345.72	6.05	-43.93
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965730	0	38	-1.0	-55.78	343.24	5.21	-50.57
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010965731	0	31	-2.0	-126.22	298.27	2.87	-123.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=N1	REAL300010965731	1	32	-1.0	-59.48	301.80	3.11	-56.37
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965732	0	33	-1.0	-47.63	326.10	6.05	-41.58
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2C=C1	REAL300010965733	0	39	-1.0	-52.58	323.95	7.23	-45.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C2	REAL300010965734	0	37	-1.0	-51.74	345.42	4.08	-47.66
N#CCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965735	0	34	-1.0	-54.16	306.83	5.51	-48.65
CC1=CC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C2NC1=O	REAL300010965736	0	39	-1.0	-56.02	346.05	3.93	-52.09
CN1N=NC2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965737	0	35	-1.0	-54.63	318.10	2.64	-51.99
CC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)S1	REAL300010965738	0	39	-1.0	-53.24	355.09	5.83	-47.41
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C2	REAL300010965739	0	30	-1.0	-57.82	289.33	1.72	-56.10
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C2	REAL300010965739	1	29	-2.0	-114.16	286.51	1.40	-112.76
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(F)C=C1[N+](=O)[O-]	REAL300010965740	0	35	-1.0	-50.04	316.54	5.12	-44.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C2	REAL300010965741	0	36	-1.0	-50.69	326.02	5.21	-45.48
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C2	REAL300010965742	0	42	0.0	-78.09	343.61	5.14	-72.95
C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965743	0	47	0.0	-77.31	376.11	3.39	-73.92
CN1CCN(CCCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965743	1	46	-1.0	-53.55	373.19	1.02	-52.53
CN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Br	REAL300010965744	0	30	-1.0	-52.24	298.43	2.30	-49.94
CN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1I	REAL300010965745	0	30	-1.0	-51.51	303.93	2.73	-48.78
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965746	0	34	-1.0	-50.13	312.41	5.47	-44.66
CC(C)OC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965747	0	39	-1.0	-51.96	343.70	2.73	-49.23
CCCCN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=N1	REAL300010965748	0	42	-1.0	-53.87	348.22	4.40	-49.47
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(OC)C=C1F	REAL300010965749	0	40	-1.0	-54.33	362.44	4.61	-49.72
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965750	0	40	-1.0	-58.08	348.20	4.98	-53.10
COC1=C(F)C=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965751	0	34	-1.0	-55.01	309.15	4.16	-50.85
CCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300010965752	0	46	-1.0	-52.14	384.24	6.43	-45.71
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965753	0	42	-1.0	-49.74	352.73	6.43	-43.31
N#CC1=CC(F)=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965754	0	31	-1.0	-51.60	301.75	4.64	-46.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C2	REAL300010965755	0	33	-1.0	-53.40	318.32	5.40	-48.00
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(C3CCCCC3)C=C1)C2	REAL300010965756	0	49	-1.0	-53.41	399.95	8.69	-44.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC=CC=C31)C2	REAL300010965757	0	34	-1.0	-57.31	308.46	4.13	-53.18
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)NC=N1)C2	REAL300010965758	0	27	-1.0	-55.44	271.34	2.09	-53.35
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C2	REAL300010965758	1	26	-2.0	-117.19	270.19	1.89	-115.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=NOC3=CC=CC=C31)C2	REAL300010965759	0	38	-1.0	-59.37	342.93	5.02	-54.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C2	REAL300010965760	0	29	-1.0	-51.06	300.00	3.36	-47.70
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C2	REAL300010965760	1	28	-2.0	-108.34	296.22	3.08	-105.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C2	REAL300010965761	0	29	-1.0	-50.61	284.25	2.46	-48.15
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C2	REAL300010965761	1	28	-2.0	-113.67	288.22	2.47	-111.20
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C2	REAL300010965762	0	29	-1.0	-51.04	273.79	1.97	-49.07
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C2	REAL300010965762	1	28	-2.0	-112.81	277.78	1.98	-110.83
COC1=NC=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965763	0	33	-1.0	-50.85	313.29	2.03	-48.82
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=C(Cl)N=CC=C3C=C1)C2	REAL300010965764	0	35	-1.0	-55.91	330.07	5.04	-50.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3ON=C(Cl)C3=C1)C2	REAL300010965765	0	32	-1.0	-52.55	314.31	4.05	-48.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C2	REAL300010965766	0	40	-1.0	-53.05	354.37	4.88	-48.17
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N=S1(=O)CCCC1)C2	REAL300010965767	0	34	-1.0	-64.62	305.07	1.37	-63.25
CC1(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1(Cl)Cl	REAL300010965768	0	33	-1.0	-51.44	316.37	5.00	-46.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(Br)SC=N1)C2	REAL300010965769	0	29	-1.0	-53.88	302.59	2.52	-51.36
CCS(=O)(CC)=NS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965770	0	36	-1.0	-64.59	319.03	1.79	-62.80
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C([N+](=O)[O-])S1	REAL300010965771	0	32	-1.0	-58.83	308.43	5.44	-53.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CC(=O)N(C3CC3)C1)C2	REAL300010965772	0	38	-1.0	-55.71	317.50	3.09	-52.62
CCN1CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1=O	REAL300010965773	0	37	-1.0	-58.15	322.28	2.89	-55.26
CCOC(=O)C1(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCC1	REAL300010965774	0	39	-1.0	-49.35	320.23	4.78	-44.57
CS(=O)(=O)N1CCC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010965775	0	41	-1.0	-60.53	360.60	0.76	-59.77
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=NC(Cl)=NC=C3S1)C2	REAL300010965776	0	31	-1.0	-52.74	319.73	3.29	-49.45
COC(=O)C1=CC=C(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965777	0	39	-1.0	-56.21	352.91	5.55	-50.66
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C3=CC=CC=C3O1)C2	REAL300010965778	0	32	-2.0	-118.99	322.33	4.85	-114.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)C3=CC=CC=C3O1)C2	REAL300010965778	1	33	-1.0	-52.41	321.83	5.32	-47.09
CN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C(F)(F)F	REAL300010965779	0	33	-1.0	-51.76	307.52	2.89	-48.87
CN1N=CC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C(F)(F)F	REAL300010965779	1	32	-2.0	-110.37	305.22	2.53	-107.84
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965780	0	40	-1.0	-51.77	330.86	4.16	-47.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1Br)C2	REAL300010965781	0	27	-1.0	-51.59	283.99	3.75	-47.84
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C(C)(C)C)=N1	REAL300010965782	0	42	-1.0	-51.58	344.03	4.44	-47.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCCC3)N=C1)C2	REAL300010965783	0	40	-1.0	-54.11	341.97	4.53	-49.58
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965784	0	33	-1.0	-51.70	303.72	2.99	-48.71
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=N1	REAL300010965785	0	30	-1.0	-56.46	300.26	2.35	-54.11
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C2	REAL300010965786	0	32	-1.0	-53.86	309.23	3.28	-50.58
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965787	0	37	-1.0	-55.15	332.67	4.32	-50.83
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N3CCCC3)=C1)C2	REAL300010965788	0	44	-1.0	-58.31	377.97	5.34	-52.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010965789	0	30	-2.0	-93.42	278.90	2.89	-90.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C2	REAL300010965789	1	31	-1.0	-51.49	290.92	1.92	-49.57
C=CCCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965790	0	40	-1.0	-51.24	351.72	6.96	-44.28
COC(=O)C1=CNN=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965791	0	33	-1.0	-60.77	305.70	1.78	-58.99
COC(=O)C1=CNN=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965791	1	32	-2.0	-129.94	303.12	1.46	-128.48
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965792	0	33	-1.0	-47.56	326.09	6.04	-41.52
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965793	0	35	-1.0	-60.02	321.80	4.75	-55.27
CC(C)(C)S(C)(=O)=NS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965794	0	39	-1.0	-63.11	337.86	2.23	-60.88
CCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300010965795	0	52	-1.0	-51.83	427.23	8.02	-43.81
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C#N)=C1	REAL300010965796	0	34	-1.0	-59.19	313.76	5.14	-54.05
CC1=CC=CC(C#N)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965797	0	34	-1.0	-53.64	302.56	5.22	-48.42
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C2	REAL300010965798	0	33	-1.0	-53.27	313.70	5.13	-48.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=C3CCCC(=O)NC3=C1)C2	REAL300010965799	0	41	-1.0	-55.40	363.42	4.88	-50.52
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C2	REAL300010965800	0	34	-1.0	-52.47	322.90	5.89	-46.58
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)(C)C	REAL300010965801	0	52	-1.0	-50.90	418.26	7.90	-43.00
CCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1CC	REAL300010965802	0	46	-1.0	-51.25	388.81	6.70	-44.55
N#CCCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965803	0	37	-1.0	-56.78	338.04	6.14	-50.64
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965804	0	36	-1.0	-49.00	318.02	6.28	-42.72
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965805	0	44	-1.0	-59.46	375.75	3.87	-55.59
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C2	REAL300010965806	0	33	-1.0	-55.20	329.56	5.90	-49.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C2	REAL300010965807	0	33	-1.0	-56.06	320.44	5.50	-50.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC=C(N3C=CC=N3)C=C1)C2	REAL300010965808	0	40	-1.0	-57.94	356.47	6.09	-51.85
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965809	0	36	-1.0	-52.28	335.17	6.08	-46.20
CC1=CN=C(Cl)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965810	0	32	-1.0	-54.32	304.73	3.51	-50.81
COC1=CC=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965811	0	34	-1.0	-55.61	318.12	4.25	-51.36
COC1=CC=C(Br)C(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965811	1	33	-2.0	-123.76	319.82	4.12	-119.64
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965812	0	40	-1.0	-53.82	348.91	6.48	-47.34
CC(C)(CCS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C1CC1	REAL300010965813	0	42	-1.0	-51.92	338.60	5.61	-46.31
CCOC(=O)C1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)N(C)N=C1	REAL300010965814	0	39	-1.0	-51.09	341.45	4.01	-47.08
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C2	REAL300010965815	0	34	-1.0	-53.19	320.41	5.80	-47.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)C2	REAL300010965816	0	39	-1.0	-54.07	341.09	6.45	-47.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3OCCCN3N=C1)C2	REAL300010965817	0	35	-1.0	-55.12	305.81	1.13	-53.99
CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C(C(N)=O)O1	REAL300010965818	0	34	-1.0	-56.84	299.34	-0.75	-57.59
CCCC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965819	0	39	-1.0	-50.26	327.31	6.71	-43.55
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(=O)OC	REAL300010965820	0	42	-1.0	-58.85	380.18	5.84	-53.01
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965821	0	43	-1.0	-51.92	375.76	4.95	-46.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=NOC3=C1CCCC3)C2	REAL300010965822	0	39	-1.0	-55.22	336.79	4.87	-50.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1C(F)F)C2	REAL300010965823	0	30	-1.0	-53.17	287.87	4.33	-48.84
COC(=O)C1=CC=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965824	0	35	-1.0	-55.33	323.12	3.11	-52.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C2	REAL300010965825	0	36	-1.0	-54.80	326.01	5.74	-49.06
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965826	0	46	-1.0	-54.92	387.24	6.88	-48.04
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CC=NC=C31)C2	REAL300010965827	0	35	-1.0	-58.96	310.88	4.70	-54.26
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965828	0	50	-1.0	-57.84	399.70	6.59	-51.25
COC(=O)C1=CN(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965829	0	37	-1.0	-54.60	335.70	4.37	-50.23
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965830	0	44	-1.0	-54.18	369.82	4.25	-49.93
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3CCN(C(=O)C4CC4)C3=C1)C2	REAL300010965831	0	45	-1.0	-66.43	384.94	6.84	-59.59
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965832	0	44	-1.0	-66.31	375.07	6.12	-60.19
CCC1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965833	0	41	-1.0	-50.52	328.07	4.48	-46.04
O=C([O-])C1CCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CC1	REAL300010965834	0	37	-2.0	-110.53	316.33	3.72	-106.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCC3)N=C1)C2	REAL300010965835	0	37	-1.0	-54.68	324.15	3.87	-50.81
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C2	REAL300010965836	0	37	-1.0	-51.60	313.47	3.72	-47.88
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C2	REAL300010965837	0	40	-1.0	-50.85	332.59	4.39	-46.46
COC(=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010965838	0	42	-1.0	-54.55	364.97	7.07	-47.48
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965839	0	43	-1.0	-55.91	379.56	5.52	-50.39
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965840	0	40	-1.0	-57.94	347.76	4.98	-52.96
CC1(C)COC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=NN2C1	REAL300010965841	0	41	-1.0	-54.37	343.61	2.23	-52.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(C3=CC=CC=C3)S1)C2	REAL300010965842	0	36	-1.0	-52.64	341.41	5.09	-47.55
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3NC(=O)COC3=C1)C2	REAL300010965843	0	36	-1.0	-55.86	324.99	1.41	-54.45
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C2	REAL300010965844	0	26	-2.0	-113.38	272.61	2.56	-110.82
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Br)C=CO1)C2	REAL300010965844	1	27	-1.0	-51.08	278.14	2.77	-48.31
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3CCCCN13)C2	REAL300010965845	0	37	-1.0	-54.42	312.87	4.10	-50.32
COC1=C(F)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965846	0	34	-1.0	-51.29	320.45	3.73	-47.56
COC1=CC(F)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010965847	0	34	-1.0	-51.21	308.03	3.31	-47.90
CCCCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300010965848	0	55	-1.0	-51.85	448.73	8.80	-43.05
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C	REAL300010965849	0	46	-1.0	-51.09	375.20	6.18	-44.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965850	0	40	-1.0	-54.06	349.56	5.56	-48.50
CCOCCOC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1C(C)C	REAL300010965851	0	53	-1.0	-54.09	439.72	6.65	-47.44
CC1=CSC(C)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965852	0	33	-1.0	-49.92	294.62	4.77	-45.15
CC1CC2=CC=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=C2O1	REAL300010965853	0	38	-1.0	-54.40	324.55	4.84	-49.56
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965854	0	38	-1.0	-51.30	343.23	3.85	-47.45
N#CC1(C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2)CC1	REAL300010965855	0	38	-1.0	-56.74	342.81	6.39	-50.35
COC1=C(F)C=CC(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965856	0	34	-1.0	-51.98	312.79	4.82	-47.16
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965856	1	33	-2.0	-117.56	310.83	4.55	-113.01
CC1=C(Br)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C)S1	REAL300010965857	0	33	-1.0	-51.57	313.75	5.45	-46.12
CC1=CC(Cl)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Br)=C1	REAL300010965858	0	33	-1.0	-50.86	318.76	6.18	-44.68
COC(=O)C1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=N1	REAL300010965859	0	35	-1.0	-53.15	325.20	3.04	-50.11
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965860	0	47	-1.0	-60.26	384.23	6.29	-53.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C=CC3=C1OCCO3)C2	REAL300010965861	0	36	-1.0	-53.99	324.14	4.68	-49.31
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C21	REAL300010965862	0	44	-1.0	-65.89	373.80	5.82	-60.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1Cl)C2	REAL300010965863	0	27	-1.0	-52.12	280.09	3.61	-48.51
CN1N=C(Br)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965864	0	30	-1.0	-50.87	293.34	2.29	-48.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C2	REAL300010965865	0	32	-1.0	-49.72	308.67	3.36	-46.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965866	0	35	-1.0	-61.88	313.23	3.75	-58.13
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1C[C@@H]3CCC[C@@H]3C1)C2	REAL300010965867	0	39	-1.0	-50.48	319.81	4.12	-46.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC(Br)=CC=C13)C2	REAL300010965868	0	34	-1.0	-56.19	329.74	4.73	-51.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=NON=C3C=C1)C2	REAL300010965869	0	31	-1.0	-50.23	289.17	2.97	-47.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3NC=C(Cl)C=C13)C2	REAL300010965870	0	33	-1.0	-58.76	319.44	3.89	-54.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3S1)C2	REAL300010965871	0	33	-1.0	-52.13	313.40	5.62	-46.51
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965872	0	37	-1.0	-51.75	323.32	3.89	-47.86
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1F	REAL300010965873	0	39	-1.0	-48.78	326.04	6.41	-42.37
COC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300010965874	0	38	-1.0	-56.27	332.12	3.97	-52.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3OCCNC(=O)C3=C1)C2	REAL300010965875	0	39	-1.0	-58.13	342.59	1.41	-56.72
N#CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC=C1Br	REAL300010965876	0	31	-1.0	-53.44	315.02	5.07	-48.37
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=COC3=CC=CC=C31)C2	REAL300010965877	0	33	-1.0	-54.33	304.07	4.46	-49.87
COC1=CC=C(F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1OC	REAL300010965878	0	38	-1.0	-55.17	332.59	4.48	-50.69
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965879	0	32	-2.0	-108.07	329.82	3.26	-104.81
COC(=O)C1=C(Br)OC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965879	1	33	-1.0	-49.82	333.17	3.56	-46.26
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(I)S1)C2	REAL300010965880	0	27	-1.0	-48.61	294.41	4.38	-44.23
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCCC2)=N1	REAL300010965881	0	43	-1.0	-54.50	362.27	5.03	-49.47
N#CC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C2S1	REAL300010965882	0	34	-1.0	-55.02	323.09	6.02	-49.00
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CC2)=N1	REAL300010965883	0	37	-1.0	-54.51	329.68	4.10	-50.41
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	REAL300010965884	0	32	-2.0	-101.78	300.82	4.50	-97.28
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C2	REAL300010965885	0	34	-1.0	-53.00	313.76	3.76	-49.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNC3=CC=C(Br)C=C13)C2	REAL300010965886	0	34	-1.0	-58.86	329.79	4.74	-54.12
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300010965887	0	33	-1.0	-54.26	303.96	3.39	-50.87
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=CC3=C1OCO3)C2	REAL300010965887	1	32	-2.0	-122.82	300.59	3.11	-119.71
CN1N=NC2=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=CC=C21	REAL300010965888	0	35	-1.0	-59.29	312.18	2.69	-56.60
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=COC3=CC=CC=C31)C2	REAL300010965889	0	33	-1.0	-54.33	304.07	4.46	-49.87
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300010965890	0	30	-2.0	-91.42	304.94	3.88	-87.54
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Br	REAL300010965891	0	36	-1.0	-48.94	328.49	6.27	-42.67
CC1(C)CCCN(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010965892	0	41	-1.0	-50.95	329.48	4.63	-46.32
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(F)=CC(Cl)=C3OC1)C2	REAL300010965893	0	36	-1.0	-52.04	342.78	5.31	-46.73
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C3C=COC3=C(F)C=C1)C2	REAL300010965894	0	33	-1.0	-53.31	308.48	4.55	-48.76
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCC2)=N1	REAL300010965895	0	40	-1.0	-54.17	346.93	4.56	-49.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)NCCC1=CC=CC=C1)C2	REAL300010965896	0	38	-1.0	-51.99	334.88	4.20	-47.79
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965897	0	48	-1.0	-50.53	385.14	8.07	-42.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300010965898	0	36	-1.0	-53.34	345.76	6.05	-47.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)SC=C1)C2	REAL300010965899	0	27	-1.0	-51.97	280.78	3.69	-48.28
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CC3CCC3)N=C1)C2	REAL300010965900	0	40	-1.0	-56.18	348.64	4.82	-51.36
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(C3CC3)C=CS1)C2	REAL300010965901	0	34	-1.0	-52.19	307.52	4.95	-47.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C2	REAL300010965902	0	41	-1.0	-52.98	373.29	6.96	-46.02
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965903	0	43	-1.0	-58.90	364.38	2.59	-56.31
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C2C=C1	REAL300010965904	0	39	-1.0	-63.75	338.31	5.41	-58.34
CCCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965905	0	39	-1.0	-51.91	338.95	6.39	-45.52
COC(=O)C1=NN(C)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965906	0	36	-1.0	-55.13	327.49	2.50	-52.63
N#CC1=CC=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965907	0	31	-1.0	-56.83	299.23	4.53	-52.30
CN1N=C2CCCC2=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965908	0	37	-1.0	-53.05	319.08	3.66	-49.39
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300010965909	0	34	-1.0	-51.17	330.71	5.53	-45.64
COC(=O)C1=CC2=CC=C(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C2C=C1	REAL300010965910	0	42	-1.0	-54.39	375.23	7.09	-47.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1)C2	REAL300010965911	0	39	-1.0	-56.18	363.57	6.77	-49.41
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965912	0	39	-1.0	-50.48	320.68	4.14	-46.34
CC(C)(C)N1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=N1	REAL300010965913	0	39	-1.0	-55.08	339.09	3.89	-51.19
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C2	REAL300010965914	0	37	-1.0	-53.64	323.58	3.24	-50.40
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1C(F)(F)F	REAL300010965915	0	35	-1.0	-52.74	325.49	3.99	-48.75
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C2	REAL300010965916	0	33	-1.0	-49.55	319.65	5.25	-44.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C2	REAL300010965917	0	30	-1.0	-52.93	292.86	4.60	-48.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C2	REAL300010965918	0	30	-1.0	-52.01	306.33	4.29	-47.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(F)(F)CC1)C2	REAL300010965919	0	35	-1.0	-50.58	300.13	3.33	-47.25
CC(=O)NCC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965920	0	40	-1.0	-56.12	356.41	3.20	-52.92
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965921	0	27	-1.0	-48.95	278.92	2.91	-46.04
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010965921	1	26	-2.0	-110.95	275.24	2.60	-108.35
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C2	REAL300010965922	0	33	-1.0	-49.56	326.17	5.60	-43.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C2	REAL300010965923	0	33	-1.0	-53.87	293.21	5.44	-48.43
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965924	0	41	-1.0	-60.28	359.15	6.21	-54.07
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC=CC=C3CCC1)C2	REAL300010965925	0	41	-1.0	-51.40	342.95	7.26	-44.14
CC1(C)OC(=O)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965926	0	40	-1.0	-61.16	354.76	5.87	-55.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC3=CC(Cl)=CC=C3OC1)C2	REAL300010965927	0	36	-1.0	-51.51	336.99	5.21	-46.30
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CC3=CC=CC=C3C1)C2	REAL300010965928	0	36	-1.0	-51.56	317.01	4.63	-46.93
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965929	0	35	-1.0	-54.66	333.83	4.61	-50.05
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=NOC3=C1COCC3)C2	REAL300010965930	0	37	-1.0	-56.13	327.39	2.53	-53.60
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965931	0	40	-1.0	-51.28	370.71	4.95	-46.33
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C2	REAL300010965932	0	30	-1.0	-51.49	309.43	5.35	-46.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C2	REAL300010965933	0	30	-1.0	-54.29	290.71	4.47	-49.82
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(C3CC3)=C1)C2	REAL300010965934	0	37	-1.0	-51.56	323.80	6.28	-45.28
COC1=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=CS1	REAL300010965935	0	31	-1.0	-52.45	289.43	2.73	-49.72
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C2	REAL300010965936	0	33	-1.0	-52.07	302.59	5.68	-46.39
COC(=O)C1=C(C)SC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965937	0	36	-1.0	-52.20	340.73	4.55	-47.65
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C3CC3)C=C1F)C2	REAL300010965938	0	37	-1.0	-51.20	321.25	6.04	-45.16
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C2	REAL300010965939	0	40	-1.0	-50.02	336.47	4.67	-45.35
CCC(C)N1N=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965940	0	39	-1.0	-51.34	328.04	3.66	-47.68
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965941	0	39	-1.0	-57.03	345.26	1.74	-55.29
CS(=O)(=O)C1=CSC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965942	0	33	-1.0	-60.66	328.20	0.68	-59.98
CNC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010965943	0	39	-1.0	-57.03	345.26	1.74	-55.29
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C2	REAL300010965944	0	33	-1.0	-55.64	296.09	5.62	-50.02
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965945	0	42	-1.0	-59.40	364.42	7.94	-51.46
CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965946	0	44	-1.0	-50.64	342.02	5.12	-45.52
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300010965947	0	30	-1.0	-49.57	298.44	3.40	-46.17
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C2	REAL300010965947	1	29	-2.0	-109.99	295.00	3.10	-106.89
COC1=CC(F)=C(F)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965948	0	34	-1.0	-51.89	307.24	4.17	-47.72
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2CCOCC2)=N1	REAL300010965949	0	44	-1.0	-54.40	371.76	3.26	-51.14
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965950	0	36	-1.0	-52.68	327.77	5.71	-46.97
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C2	REAL300010965951	0	34	-1.0	-54.40	313.83	3.76	-50.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(C3=CC=CC=C3)CC1)C2	REAL300010965952	0	45	-1.0	-51.36	370.08	6.85	-44.51
COC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010965953	0	31	-1.0	-50.95	298.35	2.63	-48.32
CC1=CC(C)=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=NC=CC=C12	REAL300010965954	0	41	-1.0	-60.48	341.37	6.26	-54.22
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C2	REAL300010965955	0	38	-1.0	-53.36	326.08	4.12	-49.24
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C2	REAL300010965956	0	33	-1.0	-53.22	307.23	2.89	-50.33
CCOCC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965957	0	40	-1.0	-53.32	351.48	4.87	-48.45
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010965958	0	39	-1.0	-54.52	350.84	6.28	-48.24
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965959	0	40	-1.0	-52.64	346.52	5.01	-47.63
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN(C3CCCCC3)N=C1)C2	REAL300010965960	0	43	-1.0	-53.97	360.94	5.13	-48.84
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OC3=CC=CC=C3)C=C1)C2	REAL300010965961	0	41	-1.0	-52.64	362.99	7.04	-45.60
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965962	0	42	-1.0	-54.32	363.09	6.99	-47.33
CC1=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CC(C)=C1Br	REAL300010965963	0	36	-1.0	-50.49	331.96	5.93	-44.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(Cl)C3=CC=CC=C3N=C1Cl)C2	REAL300010965964	0	35	-1.0	-53.15	333.27	5.58	-47.57
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(Cl)C3=CC=CC=C3N=C1Cl)C2	REAL300010965964	1	34	-2.0	-118.02	333.93	5.40	-112.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C2	REAL300010965965	0	29	-1.0	-54.22	298.34	2.43	-51.79
N#CC1=CC=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1F	REAL300010965966	0	31	-1.0	-54.91	292.64	4.30	-50.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1=CC3=NON=C3C=C1)C2	REAL300010965967	0	34	-1.0	-56.74	313.58	3.65	-53.09
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C2	REAL300010965968	0	30	-2.0	-93.42	278.90	2.89	-90.53
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C2	REAL300010965968	1	31	-1.0	-51.49	290.92	1.92	-49.57
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(C3=CC=CC=C3)N=C(Cl)S1)C2	REAL300010965969	0	36	-1.0	-50.68	344.70	5.10	-45.58
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	REAL300010965969	1	35	-2.0	-113.69	347.70	5.13	-108.56
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C2	REAL300010965970	0	29	-1.0	-49.54	292.16	2.82	-46.72
N#CC1(OCCS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCOCC1	REAL300010965971	0	42	-1.0	-54.91	358.41	1.90	-53.01
CCN1N=CC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1Cl	REAL300010965972	0	33	-1.0	-50.66	305.50	2.68	-47.98
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C2	REAL300010965973	0	34	-1.0	-53.17	324.43	5.89	-47.28
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)N[C@@H]1C[C@@]3(C(=O)[O-])C[C@@H]13)=C2	REAL300010965974	0	36	-1.0	-52.06	359.65	5.41	-46.65
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C2	REAL300010965975	0	29	-2.0	-114.01	300.96	4.78	-109.23
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965976	0	32	-1.0	-51.57	306.83	3.05	-48.52
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965976	1	31	-2.0	-112.14	311.84	3.15	-108.99
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=C(F)C=CC3=CN=C(Cl)C=C31)C2	REAL300010965977	0	35	-1.0	-58.43	330.99	5.37	-53.06
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=CC3=CN=C(Cl)C=C31)C2	REAL300010965978	0	35	-1.0	-59.70	327.71	5.18	-54.52
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965979	0	32	-1.0	-51.57	306.83	3.05	-48.52
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C2	REAL300010965979	1	31	-2.0	-112.14	311.84	3.15	-108.99
CC1=CC=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C2=CC=CC=C12	REAL300010965980	0	39	-1.0	-54.27	333.28	7.06	-47.21
COC1=CC=C(Br)C(F)=C1S(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965981	0	34	-1.0	-53.21	325.00	5.17	-48.04
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-][C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010965981	1	33	-2.0	-120.50	322.67	4.88	-115.62
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C2	REAL300010965982	0	37	-1.0	-54.15	332.44	4.55	-49.60
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N[C@@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010965983	0	44	-1.0	-54.39	379.15	5.70	-48.69
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300010965984	0	30	-1.0	-50.07	294.37	4.48	-45.59
O=C([O-])[C@]12C[C@H]1[C@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C2	REAL300010965984	1	29	-2.0	-112.62	298.36	4.49	-108.13
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)O1	REAL300010965985	0	36	-1.0	-63.21	337.11	0.36	-62.85
CN1C=C(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C2=CC=CC=C2)=N1	REAL300010965986	0	40	-1.0	-57.73	347.46	5.59	-52.14
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C2	REAL300010965987	0	36	-1.0	-55.06	345.46	1.60	-53.46
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C2	REAL300010965988	0	34	-1.0	-52.02	312.57	5.44	-46.58
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C2	REAL300010965989	0	34	-1.0	-52.44	327.46	6.00	-46.44
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C2	REAL300010965990	0	34	-1.0	-51.50	327.46	6.00	-45.50
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C2	REAL300010965991	0	35	-1.0	-60.95	318.06	-1.90	-62.85
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CN=C3C=CC=CN13)C2	REAL300010965992	0	33	-1.0	-55.55	299.77	4.59	-50.96
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1CCC(F)(F)CC1)C2	REAL300010965993	0	36	-1.0	-55.16	311.32	4.67	-50.49
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C3SC=NC3=C1)C2	REAL300010965994	0	32	-1.0	-55.68	305.19	3.59	-52.09
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CCOC1CCOC1)C2	REAL300010965995	0	38	-1.0	-54.04	329.14	1.38	-52.66
CC1=NC(S(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)O1	REAL300010965996	0	39	-1.0	-54.44	347.10	3.37	-51.07
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C(C2=CC=CC=C2)O1	REAL300010965996	1	38	-2.0	-127.50	347.28	2.86	-124.64
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC13CC4CC(CC(C4)C1)C3)C2	REAL300010965997	0	47	-1.0	-51.81	351.57	7.05	-44.76
CC1(C)COC(CS(=O)(=O)N[C@@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C1	REAL300010965998	0	40	-1.0	-55.20	334.32	3.59	-51.61
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C2	REAL300010965999	0	33	-1.0	-60.09	305.57	-0.15	-60.24
CC(C)(CS(=O)(=O)N[C@@H]1C[C@@]2(C(=O)[O-])C[C@@H]12)C(C)(F)F	REAL300010966000	0	38	-1.0	-52.32	313.60	4.63	-47.69
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1F	REAL300010966672	0	36	-1.0	-48.84	312.16	3.87	-44.97
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300010966673	0	36	-1.0	-53.71	326.45	4.29	-49.42
COC(=O)C1CCCCC1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966674	0	41	-1.0	-52.29	327.96	5.17	-47.12
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966675	0	44	-1.0	-51.39	352.49	4.65	-46.74
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966676	0	37	-1.0	-54.64	333.97	6.06	-48.58
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966677	0	36	-1.0	-56.38	318.15	2.63	-53.75
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966678	0	37	-1.0	-49.80	320.75	5.82	-43.98
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300010966679	0	34	-1.0	-51.17	313.04	4.22	-46.95
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(I)C=C2)CC1	REAL300010966680	0	29	-1.0	-45.95	289.87	4.83	-41.12
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300010966681	0	31	-1.0	-61.73	279.46	5.23	-56.50
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010966682	0	26	-1.0	-44.66	266.46	2.47	-42.19
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Br)O2)CC1	REAL300010966682	1	25	-2.0	-114.51	265.43	2.33	-112.18
N#CC1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CCCCC1	REAL300010966683	0	39	-1.0	-57.11	317.10	4.64	-52.47
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300010966684	0	31	-1.0	-46.95	290.30	4.41	-42.54
COC1=CC(Br)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966685	0	33	-1.0	-47.46	312.87	3.67	-43.79
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN1C	REAL300010966686	0	39	-1.0	-56.52	345.11	4.77	-51.75
O=C([O-])C1(CNS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010966687	0	42	-1.0	-57.66	373.68	4.84	-52.82
CCC1=NOC2=NC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C12	REAL300010966688	0	36	-1.0	-49.55	322.85	1.59	-47.96
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)CC1	REAL300010966689	0	41	-1.0	-50.47	346.46	5.17	-45.30
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010966690	0	29	-1.0	-50.99	278.15	4.53	-46.46
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)CC1	REAL300010966690	1	28	-2.0	-126.35	277.09	4.41	-121.94
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Cl)=N1	REAL300010966691	0	31	-1.0	-48.55	280.56	2.55	-46.00
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966692	0	34	-1.0	-49.71	303.33	3.96	-45.75
O=C([O-])C1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)CC1	REAL300010966693	0	36	-1.0	-53.51	318.92	5.56	-47.95
CSC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966694	0	33	-1.0	-46.65	317.30	5.22	-41.43
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966695	0	31	-1.0	-51.50	300.92	4.25	-47.25
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966696	0	39	-1.0	-56.69	344.50	0.34	-56.35
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN=C1Cl	REAL300010966697	0	32	-1.0	-47.14	302.95	1.70	-45.44
CCN1C(=O)OC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C21	REAL300010966698	0	38	-1.0	-48.85	338.03	4.70	-44.15
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC1	REAL300010966699	0	44	-1.0	-48.22	375.83	4.18	-44.04
O=C([O-])C1(CNS(=O)(=O)C2=CSC([N+](=O)[O-])=C2)CC1	REAL300010966700	0	28	-1.0	-44.67	283.26	3.49	-41.18
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966701	0	47	0.0	-72.46	378.54	4.93	-67.53
CC1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966702	0	35	-1.0	-52.11	312.60	5.19	-46.92
CC1=CC(Br)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966703	0	32	-1.0	-44.43	298.14	5.27	-39.16
O=C([O-])C1(CNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CC1	REAL300010966704	0	33	-1.0	-61.50	300.55	3.81	-57.69
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C=C2F)CC1	REAL300010966705	0	29	-1.0	-49.69	281.18	4.26	-45.43
COC1=CC=CC(OC)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966706	0	37	-1.0	-56.94	316.09	4.29	-52.65
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1C	REAL300010966707	0	56	-1.0	-51.08	447.10	8.20	-42.88
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300010966708	0	38	-1.0	-49.44	323.20	5.19	-44.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966709	0	43	-1.0	-52.61	375.36	4.85	-47.76
N#CC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966710	0	30	-1.0	-53.09	284.06	4.32	-48.77
O=C([O-])C1(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300010966711	0	32	-1.0	-54.72	306.04	2.80	-51.92
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CC1	REAL300010966712	0	44	-1.0	-58.25	364.86	4.85	-53.40
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CC1	REAL300010966713	0	35	-1.0	-47.75	329.28	6.62	-41.13
COC(=O)CCCCCS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966714	0	40	-1.0	-54.08	345.89	4.60	-49.48
CN1N=CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CN=C21	REAL300010966715	0	34	-1.0	-50.84	306.44	2.87	-47.97
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)S1	REAL300010966716	0	31	-2.0	-109.28	329.24	3.97	-105.31
COC(=O)C1=CC(Br)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966716	1	32	-1.0	-49.87	325.53	4.06	-45.81
COC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966717	0	37	-1.0	-53.41	329.27	1.96	-51.45
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300010966719	0	32	-1.0	-44.14	317.87	5.27	-38.87
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966720	0	40	-1.0	-48.50	331.31	1.74	-46.76
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966721	0	34	-1.0	-41.35	322.11	5.66	-35.69
COC1=C(F)C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966722	0	35	-1.0	-47.58	325.55	4.57	-43.01
COC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966723	0	39	-1.0	-47.38	353.90	3.17	-44.21
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)CC1	REAL300010966724	0	40	-1.0	-59.65	361.05	5.57	-54.08
COC1=CC=C(CCS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966725	0	39	-1.0	-51.23	336.88	4.57	-46.66
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CC1	REAL300010966726	0	44	-1.0	-58.82	376.21	5.27	-53.55
O=C([O-])C1(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300010966727	0	32	-1.0	-48.72	301.15	2.60	-46.12
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300010966728	0	40	-1.0	-51.45	343.27	5.12	-46.33
CC1=CC=NC2=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=CC=C12	REAL300010966729	0	37	-1.0	-60.70	311.79	5.55	-55.15
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(OC)C=C1Br	REAL300010966730	0	37	-1.0	-49.64	332.47	3.53	-46.11
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(C(F)F)=C2)CC1	REAL300010966731	0	32	-1.0	-51.16	296.25	4.67	-46.49
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)CC1	REAL300010966732	0	32	-1.0	-45.27	299.09	4.50	-40.77
CC1=CC(Br)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966733	0	32	-1.0	-48.39	304.78	5.02	-43.37
CSC1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966734	0	33	-1.0	-52.18	286.41	3.94	-48.24
CC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966735	0	36	-1.0	-51.17	336.08	3.40	-47.77
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966736	0	40	-1.0	-57.72	338.41	3.79	-53.93
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300010966737	0	41	-1.0	-54.44	317.17	2.54	-51.90
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CC1	REAL300010966738	0	35	-1.0	-48.65	342.54	1.87	-46.78
O=C([O-])C1(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300010966739	0	37	-1.0	-48.63	331.52	5.01	-43.62
COC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966740	0	39	-1.0	-47.38	353.90	3.17	-44.21
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)C(F)=C2)CC1	REAL300010966741	0	32	-1.0	-49.29	308.47	5.05	-44.24
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(OC)=C1	REAL300010966742	0	39	-1.0	-50.53	337.29	4.22	-46.31
COC(=O)C1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=CS1	REAL300010966743	0	35	-1.0	-56.93	317.00	4.99	-51.94
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1F	REAL300010966744	0	33	-1.0	-46.75	297.81	3.12	-43.63
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966745	0	40	-1.0	-51.62	352.99	3.83	-47.79
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966746	0	43	-1.0	-52.97	365.90	4.77	-48.20
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300010966747	0	43	-1.0	-50.90	368.44	7.10	-43.80
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966748	0	37	-1.0	-59.18	333.95	6.06	-53.12
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010966749	0	29	-1.0	-43.94	296.44	4.58	-39.36
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)CC1	REAL300010966749	1	28	-2.0	-115.46	303.66	4.59	-110.87
C[NH+](C)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966750	0	41	0.0	-76.24	340.50	5.65	-70.59
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2O1	REAL300010966751	0	44	-1.0	-48.21	385.78	6.41	-41.80
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966752	0	41	-1.0	-48.06	353.33	6.22	-41.84
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010966753	0	29	-1.0	-47.82	285.38	4.48	-43.34
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)CC1	REAL300010966753	1	28	-2.0	-113.11	297.21	4.58	-108.53
CC1=C(Cl)SC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966754	0	29	-1.0	-48.29	290.61	4.10	-44.19
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300010966755	0	35	-1.0	-50.27	307.76	4.26	-46.01
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966756	0	33	-1.0	-52.81	289.35	2.93	-49.88
CC1=CC=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300010966757	0	37	-1.0	-62.37	318.36	6.73	-55.64
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300010966758	0	35	-1.0	-49.85	323.09	5.52	-44.33
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300010966759	0	39	-1.0	-41.47	348.58	6.62	-34.85
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966760	0	32	-1.0	-41.52	304.70	5.21	-36.31
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300010966761	0	34	-1.0	-49.52	303.26	4.11	-45.41
CC1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966762	0	35	-1.0	-50.42	312.56	5.17	-45.25
CC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966763	0	37	-1.0	-44.82	321.32	5.83	-38.99
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Cl)=C2Br)CC1	REAL300010966764	0	29	-1.0	-52.50	293.00	5.08	-47.42
O=C([O-])C1(CNS(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966765	0	31	-1.0	-49.92	306.56	5.89	-44.03
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966765	1	30	-2.0	-115.99	307.58	5.72	-110.27
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300010966766	0	39	-1.0	-41.47	348.58	6.62	-34.85
O=C([O-])C1(CNS(=O)(=O)C2=CN=C(Cl)C(F)=C2)CC1	REAL300010966767	0	28	-1.0	-43.81	279.83	2.43	-41.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(Br)=C2)CC1	REAL300010966768	0	29	-1.0	-44.05	298.21	4.82	-39.23
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CC1	REAL300010966769	0	40	-1.0	-49.27	358.58	3.57	-45.70
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)CC1	REAL300010966770	0	28	-2.0	-119.14	283.12	3.86	-115.28
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966771	0	39	-1.0	-53.82	321.05	5.30	-48.52
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966772	0	35	-1.0	-47.36	321.40	4.43	-42.93
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966773	0	33	-1.0	-51.36	299.33	4.09	-47.27
O=C([O-])C1(CNS(=O)(=O)C2=CNC(C(F)(F)F)=C2)CC1	REAL300010966774	0	30	-1.0	-46.74	289.58	2.51	-44.23
O=C([O-])C1(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300010966775	0	42	-1.0	-50.75	350.87	7.06	-43.69
CC(C)(C)C1=CC(CS(=O)(=O)NCC2(C(=O)[O-])CC2)=NO1	REAL300010966776	0	40	-1.0	-53.26	343.95	4.47	-48.79
O=C([O-])C1(CNC(=O)N2CCC(CC3=CC=CC=C3)CC2)CC1	REAL300010966777	0	46	-1.0	-48.37	362.28	9.80	-38.57
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=CC=C12	REAL300010966778	0	43	-1.0	-51.01	356.53	5.95	-45.06
COC(=O)C1=CN=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966779	0	34	-1.0	-50.71	312.03	2.59	-48.12
N#CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966780	0	30	-1.0	-44.82	302.58	4.64	-40.18
O=C([O-])C1(CNS(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010966781	0	31	-1.0	-44.77	304.41	4.84	-39.93
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)CC1	REAL300010966781	1	30	-2.0	-105.11	315.84	5.07	-100.04
COC1=CC(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966782	0	36	-1.0	-44.57	323.21	4.38	-40.19
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966783	0	35	-1.0	-48.98	335.53	4.53	-44.45
COC1=CC(Cl)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966784	0	37	-1.0	-48.60	322.43	3.01	-45.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300010966785	0	33	-1.0	-48.22	307.55	3.39	-44.83
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(F)=C2)CC1	REAL300010966786	0	32	-1.0	-46.98	306.41	4.80	-42.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966787	0	40	-1.0	-52.19	353.94	0.71	-51.48
CCOC(=O)C1=CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2S1	REAL300010966788	0	41	-1.0	-48.38	376.72	6.78	-41.60
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C(F)F)CC1	REAL300010966789	0	35	-1.0	-54.12	317.36	3.25	-50.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300010966790	0	34	-1.0	-53.13	318.87	-0.65	-53.78
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966791	0	35	-1.0	-51.57	314.59	4.30	-47.27
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966792	0	37	-1.0	-60.57	326.29	5.21	-55.36
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(Br)=C1	REAL300010966793	0	33	-1.0	-52.40	307.64	3.93	-48.47
CC1=CC2=C(C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1)OCO2	REAL300010966794	0	35	-1.0	-51.67	302.37	3.45	-48.22
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC(Br)=CC=C3OC2)CC1	REAL300010966795	0	35	-1.0	-47.30	329.13	4.92	-42.38
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966796	0	35	-1.0	-55.29	312.58	4.86	-50.43
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300010966797	0	29	-1.0	-48.90	280.01	4.44	-44.46
CC1=CC(F)=CC(C)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966798	0	35	-1.0	-45.41	298.32	5.56	-39.85
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2Br)CC1	REAL300010966799	0	29	-1.0	-50.53	294.90	5.16	-45.37
COC1=CC2=C(C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1)OCC(=O)N2	REAL300010966800	0	39	-1.0	-53.56	333.26	0.79	-52.77
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010966801	0	30	-2.0	-112.45	311.95	4.68	-107.77
O=C([O-])C1(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)CC1	REAL300010966801	1	31	-1.0	-44.03	304.74	4.67	-39.36
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010966802	0	31	-1.0	-42.94	301.00	4.55	-38.39
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)CC1	REAL300010966802	1	30	-2.0	-109.07	308.21	4.56	-104.51
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010966803	0	29	-1.0	-44.69	290.72	5.06	-39.63
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)CC1	REAL300010966803	1	28	-2.0	-112.83	292.06	4.83	-108.00
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=NSN=C32)CC1	REAL300010966804	0	30	-1.0	-52.02	280.42	2.14	-49.88
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(Br)=C2F)CC1	REAL300010966805	0	29	-1.0	-52.20	280.49	4.24	-47.96
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1OC	REAL300010966806	0	39	-1.0	-49.43	344.17	4.45	-44.98
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C=C2Br)CC1	REAL300010966807	0	29	-1.0	-49.39	294.90	5.15	-44.24
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300010966808	0	32	-1.0	-49.92	302.61	4.99	-44.93
CC(=O)NC1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966809	0	32	-1.0	-57.07	307.03	1.24	-55.83
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)S1	REAL300010966809	1	31	-2.0	-95.79	303.73	0.11	-95.68
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300010966810	0	32	-1.0	-49.84	307.17	5.10	-44.74
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966811	0	33	-1.0	-50.94	313.33	1.03	-49.91
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966812	0	38	-1.0	-58.78	328.01	6.17	-52.61
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966813	0	37	-1.0	-67.56	311.68	2.02	-65.54
NC(=O)C1=CC(Br)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966814	0	33	-1.0	-50.77	317.90	1.14	-49.63
CC1(C)CC2=CC=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=C2O1	REAL300010966815	0	40	-1.0	-58.42	328.93	4.99	-53.43
N#CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300010966816	0	33	-1.0	-48.90	318.75	4.93	-43.97
COCCN(CCC#N)S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966817	0	38	-1.0	-47.96	326.32	2.19	-45.77
COC1=CC=C(Br)C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966818	0	36	-1.0	-51.19	332.05	4.35	-46.84
N#CC1=C(Br)C=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966819	0	30	-1.0	-48.90	287.36	4.00	-44.90
N#CC1=CC=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966820	0	30	-1.0	-47.76	288.94	4.11	-43.65
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966821	0	35	-1.0	-44.15	315.54	5.64	-38.51
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966822	0	46	-1.0	-56.70	398.87	3.46	-53.24
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)C3=C2)CC1	REAL300010966823	0	35	-1.0	-55.36	311.81	4.79	-50.57
COCCOCCOCCS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966824	0	43	-1.0	-52.66	370.57	1.05	-51.61
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966825	0	39	-1.0	-62.09	343.28	1.09	-61.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010966826	0	28	-2.0	-124.63	284.42	4.31	-120.32
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC(F)=C2F)CC1	REAL300010966826	1	29	-1.0	-47.94	284.45	4.59	-43.35
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2CC1	REAL300010966827	0	46	-1.0	-54.68	373.87	5.66	-49.02
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300010966828	0	38	-1.0	-46.71	347.02	5.21	-41.50
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1OC	REAL300010966829	0	39	-1.0	-51.49	355.96	5.35	-46.14
CCCC1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966830	0	38	-1.0	-52.84	327.68	6.14	-46.70
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966831	0	38	-1.0	-52.51	323.50	5.85	-46.66
CNC(=O)C1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966832	0	39	-1.0	-54.97	342.35	2.77	-52.20
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966833	0	43	-1.0	-52.76	365.73	5.03	-47.73
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010966834	0	29	-1.0	-51.77	276.61	4.15	-47.62
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300010966834	1	28	-2.0	-122.41	284.26	4.03	-118.38
O=C([O-])C1(CNS(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300010966835	0	42	-1.0	-51.45	362.87	5.30	-46.15
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010966836	0	38	-1.0	-45.76	349.45	5.47	-40.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(F)C=C1Cl	REAL300010966836	1	37	-2.0	-116.40	356.69	5.49	-110.91
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010966837	0	31	-1.0	-46.08	308.04	5.52	-40.56
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)CC1	REAL300010966837	1	30	-2.0	-115.00	309.60	5.29	-109.71
O=C([O-])C1(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300010966838	0	38	-1.0	-55.72	323.22	0.92	-54.80
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966839	0	36	-2.0	-120.53	330.15	4.95	-115.58
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1OC	REAL300010966840	0	40	-1.0	-56.39	357.59	3.51	-52.88
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010966841	0	41	-1.0	-48.08	352.96	5.62	-42.46
COCCNC(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966842	0	43	-1.0	-61.06	373.62	1.94	-59.12
COCC1=CC=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966843	0	40	-1.0	-53.77	337.67	3.29	-50.48
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966844	0	42	-1.0	-56.71	359.12	5.15	-51.56
CCOC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1C	REAL300010966845	0	41	-1.0	-50.53	354.78	5.85	-44.68
O=C([O-])C1(CNS(=O)(=O)C2=CSC3=CC=CC=C23)CC1	REAL300010966846	0	32	-1.0	-49.55	288.09	4.63	-44.92
CCOC(=O)CC1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966847	0	41	-1.0	-53.56	360.90	6.11	-47.45
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966848	0	35	-1.0	-52.96	334.93	6.19	-46.77
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	REAL300010966848	1	34	-2.0	-124.27	338.12	6.18	-118.09
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(F)(F)F)CC1	REAL300010966849	0	32	-1.0	-48.70	300.64	5.74	-42.96
CC(COC1CCCC1)CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966850	0	45	-1.0	-49.12	362.63	5.12	-44.00
CC1=C(CCS(=O)(=O)NCC2(C(=O)[O-])CC2)SC=N1	REAL300010966851	0	34	-1.0	-49.96	311.31	2.99	-46.97
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300010966852	0	35	-1.0	-50.51	324.11	5.78	-44.73
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966853	0	38	-1.0	-56.19	336.49	5.21	-50.98
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300010966854	0	39	-1.0	-49.79	336.28	7.16	-42.63
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966855	0	43	-1.0	-52.15	381.24	1.53	-50.62
O=C([O-])C1(CNS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300010966856	0	32	-1.0	-51.52	302.57	5.02	-46.50
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN1C	REAL300010966857	0	41	-1.0	-54.53	364.10	4.96	-49.57
CS(=O)(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010966858	0	35	-1.0	-51.08	332.60	1.67	-49.41
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C=CC=C2OC(F)(F)F)CC1	REAL300010966859	0	33	-1.0	-51.35	309.84	4.61	-46.74
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300010966860	0	32	-1.0	-48.94	294.28	4.60	-44.34
CC1=NC(Cl)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966861	0	31	-1.0	-44.92	289.82	3.15	-41.77
CC1=NC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010966862	0	32	-1.0	-53.60	301.61	3.29	-50.31
CC1=NC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(Br)N1C	REAL300010966862	1	31	-2.0	-133.15	302.66	2.90	-130.25
O=C([O-])C1(CNS(=O)(=O)C2=CN=CC([N+](=O)[O-])=C2)CC1	REAL300010966863	0	30	-1.0	-44.13	285.47	2.59	-41.54
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966864	0	42	-1.0	-48.41	356.03	4.61	-43.80
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])CC1	REAL300010966865	0	32	-2.0	-94.81	299.29	3.35	-91.46
O=C([O-])C1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2O)CC1	REAL300010966865	1	33	-1.0	-50.03	302.77	2.48	-47.55
CCOC(=O)CC1(S(=O)(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300010966866	0	38	-1.0	-53.56	325.66	4.92	-48.64
O=C([O-])C1(CNS(=O)(=O)CCOCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010966867	0	46	-1.0	-56.48	406.98	4.15	-52.33
N#CC1=CC(F)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Br	REAL300010966868	0	30	-1.0	-44.50	300.77	4.40	-40.10
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C=C1Br	REAL300010966868	1	29	-2.0	-111.82	308.02	4.41	-107.41
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966869	0	40	-1.0	-54.00	352.43	3.10	-50.90
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(=O)OC(C)C	REAL300010966870	0	44	-1.0	-50.77	375.02	6.57	-44.20
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966871	0	41	-1.0	-54.59	365.76	2.95	-51.64
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966872	0	40	-1.0	-48.98	382.58	4.61	-44.37
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3NC(=O)C=NC3=C2)CC1	REAL300010966873	0	34	-1.0	-52.16	308.51	0.94	-51.22
COC(=O)C1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CCCC1	REAL300010966874	0	41	-1.0	-53.99	335.92	4.83	-49.16
O=C([O-])C1(CNS(=O)(=O)C2=CN=C(Cl)C(Br)=C2)CC1	REAL300010966875	0	28	-1.0	-43.90	293.40	2.92	-40.98
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966876	0	36	-1.0	-48.57	333.88	3.97	-44.60
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300010966877	0	35	-1.0	-45.94	316.52	5.25	-40.69
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1	REAL300010966878	0	40	-1.0	-47.58	367.49	7.11	-40.47
COC(=O)CC1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966879	0	38	-1.0	-53.69	339.04	5.18	-48.51
O=C([O-])C1(CNS(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300010966880	0	31	-1.0	-54.25	286.41	3.51	-50.74
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300010966881	0	35	-1.0	-49.33	323.58	5.71	-43.62
COC(=O)C1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CCC1	REAL300010966882	0	38	-1.0	-55.52	324.53	4.11	-51.41
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1	REAL300010966883	0	29	-1.0	-48.00	294.20	4.07	-43.93
N#CC1=CC(F)=CC=C1CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966884	0	33	-1.0	-55.86	310.55	4.75	-51.11
CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1I	REAL300010966885	0	32	-1.0	-49.09	307.43	5.38	-43.71
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966886	0	42	-1.0	-54.45	371.93	4.11	-50.34
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966887	0	45	-1.0	-54.11	393.79	5.04	-49.07
COC(=O)C1(CS(=O)(=O)NCC2(C(=O)[O-])CC2)CCCCC1	REAL300010966888	0	44	-1.0	-53.28	348.41	5.51	-47.77
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CN=C1C	REAL300010966889	0	37	-1.0	-46.79	328.35	3.08	-43.71
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2F)CC1	REAL300010966890	0	33	-1.0	-51.08	305.69	3.43	-47.65
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966891	0	38	-1.0	-46.37	355.45	5.83	-40.54
O=C([O-])C1(CNS(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300010966892	0	45	-1.0	-56.93	395.17	5.62	-51.31
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2Cl)CC1	REAL300010966893	0	31	-1.0	-44.89	299.45	3.03	-41.86
O=C([O-])C1(CNS(=O)(=O)CC23CCC(CC2)CC3)CC1	REAL300010966894	0	42	-1.0	-49.07	319.52	5.76	-43.31
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300010966895	0	38	-1.0	-48.79	326.92	5.34	-43.45
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C3=NON=C32)CC1	REAL300010966896	0	30	-1.0	-50.86	289.41	3.13	-47.73
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(C(F)F)C=C2)CC1	REAL300010966897	0	35	-1.0	-51.92	318.06	5.35	-46.57
CN1C=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010966898	0	32	-1.0	-55.11	301.73	2.80	-52.31
CN1C=C(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300010966898	1	31	-2.0	-119.42	299.68	2.45	-116.97
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966899	0	31	-1.0	-50.23	302.15	5.79	-44.44
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])CC1	REAL300010966899	1	30	-2.0	-115.68	303.16	5.62	-110.06
COC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(F)C=C1C	REAL300010966900	0	38	-1.0	-51.81	330.70	4.83	-46.98
CC1=CC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=CC=C2N=C1Cl	REAL300010966901	0	37	-1.0	-47.65	338.56	5.14	-42.51
O=C([O-])C1(CNS(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300010966902	0	38	-1.0	-48.91	315.04	4.90	-44.01
O=C([O-])C1(CNS(=O)(=O)CCOCC2=CC=CC=C2)CC1	REAL300010966903	0	39	-1.0	-49.54	341.37	4.50	-45.04
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(C(C)C)=C1	REAL300010966904	0	56	-1.0	-48.87	424.81	9.85	-39.02
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C(Cl)C=CN=C23)CC1	REAL300010966905	0	34	-1.0	-53.31	308.82	5.29	-48.02
CCOC(=O)C1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966906	0	41	-1.0	-52.02	362.54	6.08	-45.94
COC(=O)C1=NC=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966907	0	34	-1.0	-60.49	301.73	3.59	-56.90
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966908	0	36	-1.0	-46.96	330.63	4.05	-42.91
COC1=CC=C2C=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)CCC2=C1	REAL300010966909	0	41	-1.0	-49.88	346.00	5.44	-44.44
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OC3CC3)C=C2)CC1	REAL300010966910	0	37	-1.0	-48.42	322.62	4.71	-43.71
O=C([O-])C1(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010966911	0	32	-1.0	-46.84	298.26	4.20	-42.64
O=C([O-])C1(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300010966911	1	31	-2.0	-121.23	298.23	3.92	-117.31
O=C([O-])C1(CNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010966912	0	32	-1.0	-52.52	312.91	5.93	-46.59
O=C([O-])C1(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300010966912	1	31	-2.0	-125.73	314.55	5.45	-120.28
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966913	0	43	-1.0	-56.89	380.06	1.93	-54.96
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966913	1	42	-2.0	-94.32	373.12	2.11	-92.21
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Br)C(F)=C2)CC1	REAL300010966914	0	32	-1.0	-49.21	312.89	5.15	-44.06
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966915	0	38	-1.0	-60.30	346.57	2.00	-58.30
CC1=CC2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2C=C1	REAL300010966916	0	38	-1.0	-50.33	329.37	6.68	-43.65
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966917	0	38	-1.0	-45.45	345.34	5.72	-39.73
O=C(COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1)NC1CC1	REAL300010966918	0	44	-1.0	-57.94	383.71	4.30	-53.64
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966919	0	42	-1.0	-55.61	358.55	4.10	-51.51
O=C([O-])C1(CNS(=O)(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300010966920	0	32	-1.0	-52.26	304.63	4.93	-47.33
O=C([O-])C1(CNS(=O)(=O)C2=C(F)C3=CC=CC=C3C=C2)CC1	REAL300010966921	0	35	-1.0	-51.38	305.21	5.75	-45.63
CCC1=CC(CC)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(CC)=C1	REAL300010966922	0	47	-1.0	-47.82	362.24	8.38	-39.44
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C12	REAL300010966923	0	48	-1.0	-50.49	403.59	4.51	-45.98
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300010966924	0	36	-1.0	-51.11	318.08	3.49	-47.62
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3SC(Cl)=NC3=C2)CC1	REAL300010966925	0	31	-1.0	-46.38	310.26	3.66	-42.72
COC1=CC(OC)=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966926	0	37	-1.0	-52.34	328.02	3.43	-48.91
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300010966927	0	37	-1.0	-50.21	333.22	2.31	-47.90
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966928	0	34	-1.0	-52.98	316.27	-1.31	-54.29
CC(C)(CCS(=O)(=O)NCC1(C(=O)[O-])CC1)S(C)(=O)=O	REAL300010966929	0	40	-1.0	-57.48	335.33	0.86	-56.62
COC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010966930	0	33	-1.0	-46.61	307.62	3.60	-43.01
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C(C=C2F)NC(=O)O3)CC1	REAL300010966931	0	32	-1.0	-48.90	292.03	1.00	-47.90
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966932	0	42	-1.0	-50.68	358.69	5.10	-45.58
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300010966933	0	38	-1.0	-51.55	329.28	6.59	-44.96
O=C([O-])C1(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300010966934	0	33	-1.0	-50.35	298.75	3.91	-46.44
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300010966935	0	33	-1.0	-50.10	309.09	4.36	-45.74
COC(=O)CC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966936	0	38	-1.0	-54.38	344.49	5.23	-49.15
COC(CC1=CC=CC=C1)CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966937	0	42	-1.0	-51.85	351.40	5.14	-46.71
COC1=CC=C(F)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966938	0	33	-1.0	-51.91	289.00	3.64	-48.27
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Br)C=C2Cl)CC1	REAL300010966939	0	32	-1.0	-49.47	320.61	5.52	-43.95
O=C([O-])C1(CNS(=O)(=O)CC2=CC(Cl)=CC=C2Br)CC1	REAL300010966940	0	32	-1.0	-48.63	319.31	5.55	-43.08
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300010966941	0	32	-1.0	-44.21	301.70	2.84	-41.37
CCC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300010966942	0	37	-1.0	-46.81	324.63	5.58	-41.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966943	0	45	-1.0	-52.99	358.78	5.89	-47.10
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C21	REAL300010966944	0	36	-1.0	-49.89	337.51	6.12	-43.77
N#CCC1=CC=C(CS(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966945	0	36	-1.0	-56.02	328.12	5.66	-50.36
COC1=NC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966946	0	32	-1.0	-46.23	305.33	0.97	-45.26
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C(F)=C1	REAL300010966947	0	38	-1.0	-51.19	336.45	5.22	-45.97
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966948	0	38	-1.0	-49.05	355.91	5.40	-43.65
O=C([O-])C1(CNS(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300010966949	0	32	-1.0	-49.60	302.61	5.00	-44.60
CC1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300010966950	0	32	-1.0	-46.55	297.55	4.84	-41.71
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300010966951	0	35	-1.0	-58.84	310.18	4.73	-54.11
CC1=CSC(C2=CC=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=C2)=N1	REAL300010966952	0	38	-1.0	-48.70	348.32	5.21	-43.49
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1F	REAL300010966953	0	35	-1.0	-51.76	329.57	4.76	-47.00
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1F	REAL300010966953	1	34	-2.0	-122.63	336.17	4.78	-117.85
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966954	0	38	-1.0	-52.12	335.37	4.78	-47.34
CC1=C(Br)C=CC=C1CS(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966955	0	35	-1.0	-50.32	319.76	5.57	-44.75
O=C([O-])C1(CNS(=O)(=O)CCCC2CCOCC2)CC1	REAL300010966956	0	42	-1.0	-49.84	340.77	3.79	-46.05
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3ON=C(C4CCOCC4)C3=C2)CC1	REAL300010966957	0	44	-1.0	-50.47	376.71	1.55	-48.92
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300010966958	0	37	-1.0	-53.30	305.42	4.93	-48.37
O=C([O-])C1(CNS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CC1	REAL300010966959	0	36	-1.0	-54.94	327.19	1.60	-53.34
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(F)=C2)CC1	REAL300010966960	0	29	-1.0	-44.09	284.68	4.31	-39.78
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)SC(Br)=C1	REAL300010966961	0	29	-1.0	-43.62	291.47	4.29	-39.33
O=C([O-])C1(CNS(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300010966962	0	38	-1.0	-51.69	316.04	4.05	-47.64
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966963	0	39	-1.0	-50.41	325.83	2.35	-48.06
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=C(F)C=C2)CC1	REAL300010966964	0	35	-1.0	-49.43	313.75	5.31	-44.12
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2F)CC1	REAL300010966965	0	35	-1.0	-50.29	312.94	5.31	-44.98
O=C([O-])C1(CNS(=O)(=O)CCC2=CC=CC=C2Cl)CC1	REAL300010966966	0	35	-1.0	-49.51	320.06	5.64	-43.87
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966967	0	33	-1.0	-48.33	309.58	4.24	-44.09
COC1=CC2=C(C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1)C(=O)NCCC2	REAL300010966968	0	44	-1.0	-59.84	358.69	2.65	-57.19
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)S2)C1	REAL300010966969	0	40	-1.0	-55.28	351.94	4.34	-50.94
CC1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)SC2=CC=C(C#N)C=C12	REAL300010966970	0	36	-1.0	-50.70	332.09	6.13	-44.57
COC(CS(=O)(=O)NCC1(C(=O)[O-])CC1)C1CCOC1	REAL300010966971	0	40	-1.0	-49.74	326.86	1.56	-48.18
O=C([O-])C1(CNS(=O)(=O)CC2=CC(F)=CC=C2Br)CC1	REAL300010966972	0	32	-1.0	-48.98	308.99	5.11	-43.87
NC(=O)C1=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010966973	0	33	-1.0	-46.34	311.06	0.91	-45.43
NC(=O)C1=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C(F)C=C1Br	REAL300010966973	1	32	-2.0	-116.52	318.29	0.92	-115.60
O=C([O-])C1(CNS(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300010966974	0	32	-1.0	-49.34	305.75	4.99	-44.35
O=C([O-])C1(CNS(=O)(=O)C2=CC(Cl)=CC(Br)=C2)CC1	REAL300010966975	0	29	-1.0	-44.60	300.10	4.88	-39.72
CC1=CC(C(N)=O)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966976	0	36	-1.0	-59.96	318.01	1.18	-58.78
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966977	0	54	-1.0	-48.36	442.43	8.67	-39.69
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300010966978	0	44	-1.0	-54.83	371.95	6.09	-48.74
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010966979	0	39	-1.0	-50.52	346.25	5.88	-44.64
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300010966980	0	29	-1.0	-44.00	289.09	4.41	-39.59
COC(=O)C1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1F	REAL300010966981	0	35	-1.0	-47.36	321.40	4.43	-42.93
COC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300010966982	0	43	-1.0	-49.37	370.26	6.80	-42.57
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CC1	REAL300010966983	0	43	-1.0	-48.20	379.56	7.10	-41.10
O=C([O-])C1(CNS(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010966984	0	28	-1.0	-51.80	271.08	2.80	-49.00
O=C([O-])C1(C[N-]S(=O)(=O)C2=NC=CC=C2Br)CC1	REAL300010966984	1	27	-2.0	-124.82	273.33	2.36	-122.46
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NCC3(C(=O)[O-])CC3)=C2)=N1	REAL300010966985	0	41	-1.0	-47.92	355.69	3.66	-44.26
COC(CS(=O)(=O)NCC1(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300010966986	0	39	-1.0	-51.52	343.93	4.89	-46.63
O=C([O-])C1(CNS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CC3)CC1	REAL300010966987	0	41	-1.0	-51.19	346.32	5.17	-46.02
COC(=O)C1=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)N(C)N=C1	REAL300010966988	0	35	-1.0	-51.80	308.44	2.83	-48.97
COC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1Cl	REAL300010966989	0	37	-1.0	-48.50	343.98	2.64	-45.86
COC(=O)C1=CC=CC2=C(S(=O)(=O)NCC3(C(=O)[O-])CC3)C=CC=C12	REAL300010966990	0	41	-1.0	-48.72	353.24	6.61	-42.11
COC(=O)NC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C	REAL300010966991	0	40	-1.0	-50.39	346.78	2.83	-47.56
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1F	REAL300010966992	0	35	-1.0	-51.79	319.25	4.31	-47.48
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)=C1F	REAL300010966992	1	34	-2.0	-121.97	325.85	4.34	-117.63
CC(=O)N1CCC2=CC(S(=O)(=O)NCC3(C(=O)[O-])CC3)=C(Cl)C=C21	REAL300010966993	0	40	-1.0	-55.93	342.64	4.83	-51.10
CCC(C)OC1=CC=CC(S(=O)(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300010966994	0	42	-1.0	-49.52	352.12	5.41	-44.11
COC(CS(=O)(=O)NCC1(C(=O)[O-])CC1)C1CCCC1	REAL300010966995	0	42	-1.0	-49.97	339.43	4.07	-45.90
COC(CS(=O)(=O)NCC1(C(=O)[O-])CC1)C1CCCCC1	REAL300010966996	0	45	-1.0	-48.44	352.89	4.58	-43.86
O=C([O-])C1(CNS(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300010966997	0	32	-1.0	-50.48	301.36	3.38	-47.10
CCCOC1=CC=C(S(=O)(=O)NCC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300010966998	0	48	-1.0	-47.76	393.55	6.79	-40.97
O=C([O-])C1(CNS(=O)(=O)C2=CN=C3NC=C(Br)C=C23)CC1	REAL300010966999	0	32	-1.0	-56.75	311.54	3.55	-53.20
COC1=CC(F)=CC=C1S(=O)(=O)NCC1(C(=O)[O-])CC1	REAL300010967000	0	33	-1.0	-48.90	289.01	3.64	-45.26
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1N(C)C	REAL300010973182	0	40	-1.0	-52.69	350.96	4.15	-48.54
CN1C(Cl)=NC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973183	0	29	-1.0	-43.01	289.71	2.45	-40.56
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973184	0	34	-1.0	-56.52	329.16	5.37	-51.15
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])N=C1Cl	REAL300010973185	0	29	-1.0	-51.43	288.38	3.14	-48.29
N#CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C#N)C(=O)[O-]	REAL300010973186	0	32	-1.0	-57.64	317.30	4.10	-53.54
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973187	0	35	-1.0	-44.51	337.08	5.58	-38.93
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973188	0	41	-1.0	-51.50	348.90	3.98	-47.52
N#CCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010973189	0	34	-1.0	-53.51	312.05	3.38	-50.13
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973190	0	35	-1.0	-53.68	337.50	1.13	-52.55
CCOC(=O)C1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973191	0	43	-1.0	-40.95	371.00	4.38	-36.57
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973192	0	37	-1.0	-48.41	322.26	5.31	-43.10
N#CCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300010973193	0	32	-1.0	-68.80	305.77	2.74	-66.06
CCC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973194	0	39	-1.0	-58.42	353.03	3.20	-55.22
N#CCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010973195	0	32	-1.0	-43.49	321.53	4.79	-38.70
N#CCCC(NS(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973196	0	30	-1.0	-56.09	286.32	4.31	-51.78
N#CCCC([N-]S(=O)(=O)C1=CC=CN=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973196	1	29	-2.0	-125.00	282.54	4.62	-120.38
COC(=O)C1=CC=CC=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973197	0	38	-1.0	-61.20	344.80	5.29	-55.91
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010973198	0	29	-1.0	-40.72	296.94	4.22	-36.50
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973199	0	48	-1.0	-62.58	401.15	7.02	-55.56
N#CCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300010973200	0	32	-1.0	-45.50	326.39	5.16	-40.34
CC(=O)NC1=CC(F)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973201	0	36	-1.0	-54.30	351.80	3.11	-51.19
CC1CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2O1	REAL300010973202	0	37	-1.0	-53.33	333.38	4.11	-49.22
COC1=CC(Cl)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973203	0	33	-1.0	-51.51	333.03	3.87	-47.64
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973204	0	41	-1.0	-58.94	361.70	2.43	-56.51
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CS1	REAL300010973205	0	32	-1.0	-53.83	323.84	3.19	-50.64
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973206	0	38	-1.0	-43.94	359.14	6.05	-37.89
N#CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300010973207	0	40	-1.0	-53.69	381.78	6.86	-46.83
COC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300010973208	0	38	-1.0	-53.70	337.84	4.84	-48.86
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973209	0	31	-1.0	-40.03	326.66	4.87	-35.16
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973210	0	33	-1.0	-48.35	331.20	4.28	-44.07
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973211	0	41	-1.0	-51.35	351.95	3.97	-47.38
N#CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973212	0	31	-1.0	-43.47	305.37	4.24	-39.23
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2)=C1	REAL300010973213	0	43	-1.0	-53.01	386.39	7.03	-45.98
COC1=CC=C(C)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973214	0	36	-1.0	-43.23	308.69	4.33	-38.90
N#CCCC(NS(=O)(=O)CC1=CC=C(C#N)C=C1)C(=O)[O-]	REAL300010973215	0	33	-1.0	-61.95	320.83	4.59	-57.36
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)OC2=C1)C(=O)[O-]	REAL300010973216	0	32	-1.0	-58.63	307.84	1.02	-57.61
CN1C(=O)CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973217	0	37	-1.0	-55.51	339.16	3.93	-51.58
N#CCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010973218	0	29	-1.0	-51.25	304.16	4.60	-46.65
COC(=O)C1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973219	0	40	-1.0	-56.45	339.95	2.98	-53.47
COC1=C(C)C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973220	0	39	-1.0	-45.95	350.73	4.46	-41.49
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C(=O)OC)S1	REAL300010973221	0	38	-1.0	-57.40	368.69	4.66	-52.74
COCC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973222	0	36	-1.0	-43.93	331.87	3.33	-40.60
N#CCCC(NS(=O)(=O)C1=C(Cl)N=C2SC=CN21)C(=O)[O-]	REAL300010973223	0	29	-1.0	-49.42	306.18	3.57	-45.85
N#CCCC(NS(=O)(=O)CC1=CC(C2=CC=CC=C2)=NO1)C(=O)[O-]	REAL300010973224	0	38	-1.0	-62.99	354.95	5.34	-57.65
N#CCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300010973225	0	35	-1.0	-47.50	329.91	4.64	-42.86
N#CCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300010973226	0	35	-1.0	-46.13	360.31	4.77	-41.36
N#CCCC(NS(=O)(=O)CCOCC(F)(F)F)C(=O)[O-]	REAL300010973227	0	32	-1.0	-45.51	314.76	1.74	-43.77
CC1=NC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2O1	REAL300010973228	0	34	-1.0	-53.36	319.72	1.18	-52.18
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973229	0	41	-1.0	-41.12	327.51	6.51	-34.61
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300010973230	0	33	-2.0	-100.02	333.05	2.59	-97.43
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300010973230	1	33	-2.0	-99.94	333.11	2.58	-97.36
CC1=CC(Br)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973231	0	29	-1.0	-37.46	298.45	3.58	-33.88
N#CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)N=C2C=C1F)C(=O)[O-]	REAL300010973232	0	34	-1.0	-50.35	327.75	4.07	-46.28
CC1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973233	0	38	-1.0	-43.12	334.57	5.41	-37.71
CC1=C(Br)SC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=N1	REAL300010973234	0	27	-2.0	-120.10	297.98	2.09	-118.01
CC1=C(Br)SC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300010973234	1	28	-1.0	-48.07	305.23	1.75	-46.32
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973235	0	34	-1.0	-56.63	320.99	5.04	-51.59
N#CCCC(NS(=O)(=O)C1=CC2=NC=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010973236	0	33	-1.0	-53.24	329.02	2.36	-50.88
N#CCCC(NS(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973237	0	34	-1.0	-62.67	317.76	5.30	-57.37
N#CCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973238	0	37	-1.0	-51.28	340.65	5.45	-45.83
N#CCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300010973239	0	37	-1.0	-62.55	349.70	5.67	-56.88
CC1=NN2C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=NC2=C1Cl	REAL300010973240	0	34	-1.0	-50.46	333.50	3.32	-47.14
CCCN1C=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973241	0	35	-1.0	-58.56	321.25	4.60	-53.96
CCCCCCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(=O)NC1=O	REAL300010973242	0	47	-1.0	-51.05	413.13	4.48	-46.57
CCCCCCN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(=O)NC1=O	REAL300010973242	1	46	-2.0	-129.40	405.83	4.48	-124.92
N#CCCC([N-]S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)[O-]	REAL300010973243	0	28	-2.0	-109.71	294.91	4.37	-105.34
N#CCCC(NS(=O)(=O)CC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010973244	0	32	-1.0	-48.18	310.12	4.31	-43.87
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC1=C23	REAL300010973245	0	40	-1.0	-48.44	363.06	5.48	-42.96
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC([N+](=O)[O-])=C1F	REAL300010973247	0	34	-1.0	-41.88	327.96	4.85	-37.03
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973248	0	35	-1.0	-43.25	321.28	5.00	-38.25
N#CCCC(NS(=O)(=O)C1=CC=C(C(=O)N2CCCC2)C(F)=C1)C(=O)[O-]	REAL300010973249	0	43	-1.0	-60.45	381.95	4.72	-55.73
N#CCCC(NS(=O)(=O)C1=CN=C2NC=CC(Cl)=C12)C(=O)[O-]	REAL300010973250	0	32	-1.0	-68.50	314.63	3.43	-65.07
CC1=CC=C(Br)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973251	0	32	-1.0	-41.61	309.01	4.83	-36.78
CC1=CC=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973252	0	32	-1.0	-53.47	309.44	4.68	-48.79
N#CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1F)C(=O)[O-]	REAL300010973253	0	32	-1.0	-61.92	311.70	4.31	-57.61
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973254	0	40	-1.0	-56.24	376.75	1.17	-55.07
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010973255	0	28	-1.0	-53.76	291.66	2.85	-50.91
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CN=C1Cl)C(=O)[O-]	REAL300010973255	1	27	-2.0	-118.12	288.59	3.26	-114.86
COC(=O)C1=NC=CC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC=C12	REAL300010973256	0	40	-1.0	-46.58	363.68	4.63	-41.95
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010973257	0	32	-1.0	-58.22	333.43	5.29	-52.93
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC(N)=O)C(=O)[O-]	REAL300010973258	0	37	-1.0	-45.99	340.84	1.58	-44.41
N#CCCC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010973259	0	29	-1.0	-38.05	303.94	4.92	-33.13
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Br)C(=O)[O-]	REAL300010973259	1	28	-2.0	-110.46	301.25	5.37	-105.09
N#CCCC(NS(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973260	0	28	-1.0	-47.83	299.84	2.67	-45.16
N#CCCC([N-]S(=O)(=O)C1=CN=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973260	1	27	-2.0	-104.44	299.99	2.46	-101.98
CCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])N=C1C	REAL300010973261	0	35	-1.0	-50.69	322.70	3.38	-47.31
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973262	0	34	-1.0	-44.49	325.63	2.38	-42.11
CS(=O)(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(Cl)S1	REAL300010973263	0	32	-1.0	-49.54	342.96	0.67	-48.87
N#CCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300010973264	0	37	-1.0	-53.36	329.84	4.15	-49.21
CC(C)OC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973265	0	39	-1.0	-53.01	345.59	4.35	-48.66
CC1=C(C)SC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973266	0	32	-1.0	-54.30	310.06	3.91	-50.39
COCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973267	0	36	-1.0	-54.61	331.19	3.25	-51.36
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973268	0	38	-1.0	-48.44	360.33	3.18	-45.26
N#CCCC(NC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)[O-]	REAL300010973269	0	40	-1.0	-55.32	352.08	10.62	-44.70
CC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1Cl	REAL300010973270	0	32	-1.0	-42.42	303.35	4.57	-37.85
CC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1Br	REAL300010973271	0	34	-1.0	-52.15	333.07	4.52	-47.63
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(=O)NCC(F)(F)F	REAL300010973272	0	40	-1.0	-57.04	381.94	2.47	-54.57
COC(=O)C1(C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2)CC1	REAL300010973273	0	42	-1.0	-47.69	375.48	6.21	-41.48
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1C#N)C(=O)[O-]	REAL300010973274	0	33	-1.0	-58.83	334.95	4.95	-53.88
N#CCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300010973275	0	38	-1.0	-43.98	339.21	7.22	-36.76
CC1(C)CN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CCO1	REAL300010973276	0	38	-1.0	-42.76	323.34	1.79	-40.97
N#CCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300010973277	0	32	-1.0	-45.66	303.20	2.24	-43.42
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010973278	0	37	-1.0	-59.67	325.26	5.06	-54.61
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300010973279	0	35	-1.0	-59.35	321.46	5.04	-54.31
CC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C12	REAL300010973280	0	42	-1.0	-55.63	370.30	4.95	-50.68
N#CCCC(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300010973281	0	41	-1.0	-41.76	349.41	0.51	-41.25
N#CCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300010973282	0	35	-1.0	-41.31	343.50	1.63	-39.68
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973283	0	38	-1.0	-44.67	360.25	5.21	-39.46
COCC1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973284	0	36	-1.0	-52.13	319.47	3.52	-48.61
CCC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C(C(=O)OC)O1	REAL300010973285	0	38	-1.0	-55.70	353.83	3.76	-51.94
N#CCCC(NS(=O)(=O)C1CCCN(C(=O)C2=CC=CC=C2)C1)C(=O)[O-]	REAL300010973286	0	46	-1.0	-59.18	384.81	5.16	-54.02
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973287	0	42	-1.0	-52.84	386.59	5.23	-47.61
N#CCCC(NS(=O)(=O)C1=CC=C(C#N)C=C1Cl)C(=O)[O-]	REAL300010973288	0	30	-1.0	-39.47	305.42	4.39	-35.08
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973289	0	33	-1.0	-52.87	331.55	4.04	-48.83
N#CCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300010973290	0	36	-1.0	-51.55	320.67	3.55	-48.00
N#CCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010973291	0	34	-1.0	-61.70	323.33	3.54	-58.16
N#CCCC(NS(=O)(=O)C1CCCN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010973292	0	49	-1.0	-44.64	393.16	5.13	-39.51
N#CCCC(NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	REAL300010973293	0	43	-1.0	-62.79	369.71	3.73	-59.06
N#CCCC(NS(=O)(=O)C1CN(C(=O)C2=CC=CC(Cl)=C2)C1)C(=O)[O-]	REAL300010973294	0	40	-1.0	-40.40	370.47	4.14	-36.26
CC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1F	REAL300010973295	0	32	-1.0	-45.82	288.94	3.86	-41.96
CCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973296	0	35	-1.0	-44.04	326.20	1.19	-42.85
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300010973297	0	31	-1.0	-43.48	311.89	2.82	-40.66
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])SC=N1	REAL300010973298	0	30	-2.0	-132.86	306.64	2.11	-130.75
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])SC=N1	REAL300010973298	1	31	-1.0	-53.09	316.86	1.31	-51.78
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973299	0	35	-1.0	-43.46	336.10	4.25	-39.21
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=C1F	REAL300010973301	0	36	-1.0	-51.83	322.82	3.66	-48.17
N#CCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010973302	0	36	-1.0	-58.87	340.69	4.05	-54.82
COC(=O)C1CCCCC1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973303	0	41	-1.0	-65.03	340.67	4.99	-60.04
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973304	0	44	-1.0	-54.22	366.94	4.45	-49.77
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973305	0	37	-1.0	-42.50	342.31	5.55	-36.95
CC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973306	0	36	-1.0	-58.63	332.46	2.41	-56.22
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973307	0	37	-1.0	-50.09	332.88	5.52	-44.57
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010973308	0	34	-1.0	-45.24	333.54	4.01	-41.23
N#CCCC(NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010973309	0	29	-1.0	-51.25	304.16	4.60	-46.65
N#CCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973310	0	31	-1.0	-58.54	290.75	5.01	-53.53
N#CCCC(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973311	0	26	-1.0	-44.17	281.53	2.32	-41.85
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973311	1	25	-2.0	-115.55	273.99	2.58	-112.97
N#CCCC(NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010973312	0	39	-1.0	-41.88	330.68	4.45	-37.43
CC1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])CCCCC1	REAL300010973313	0	41	-1.0	-59.33	326.06	4.98	-54.35
N#CCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973314	0	31	-1.0	-43.47	305.37	4.24	-39.23
COC1=CC(Br)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973315	0	33	-1.0	-43.58	327.94	3.49	-40.09
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN1C	REAL300010973316	0	39	-1.0	-61.12	359.94	4.57	-56.55
N#CCCC(NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010973317	0	42	-1.0	-49.89	387.33	4.62	-45.27
CCC1=NOC2=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C12	REAL300010973318	0	36	-1.0	-48.02	338.38	1.29	-46.73
CCC1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973319	0	31	-1.0	-51.64	307.07	2.14	-49.50
N#CCCC(NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010973320	0	41	-1.0	-45.33	359.10	5.00	-40.33
N#CCCC(NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010973321	0	29	-1.0	-44.25	289.71	4.27	-39.98
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010973321	1	28	-2.0	-126.52	290.15	4.08	-122.44
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(Cl)=N1	REAL300010973322	0	31	-1.0	-46.28	306.67	2.89	-43.39
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973323	0	34	-1.0	-40.05	307.96	4.06	-35.99
N#CCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010973324	0	36	-1.0	-44.05	325.94	5.20	-38.85
CSC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973325	0	33	-1.0	-51.24	331.29	4.99	-46.25
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973326	0	31	-1.0	-50.67	316.38	3.90	-46.77
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973327	0	39	-1.0	-44.71	355.54	0.05	-44.66
COC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C1Cl	REAL300010973328	0	32	-1.0	-43.06	317.65	1.58	-41.48
CC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973329	0	34	-1.0	-54.43	317.34	3.94	-50.49
CCN1C(=O)OC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973330	0	38	-1.0	-59.90	352.29	4.45	-55.45
N#CCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010973331	0	44	-1.0	-57.50	389.84	3.96	-53.54
N#CCCC(NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973332	0	28	-1.0	-50.62	297.51	3.30	-47.32
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973333	0	47	0.0	-85.29	390.39	4.65	-80.64
CCC1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973334	0	38	-1.0	-59.87	342.62	5.66	-54.21
CC1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973335	0	35	-1.0	-42.50	326.21	4.96	-37.54
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973336	0	32	-1.0	-39.49	307.57	4.94	-34.55
N#CCCC(NS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C(=O)[O-]	REAL300010973337	0	33	-1.0	-57.76	314.37	3.56	-54.20
N#CCCC(NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010973338	0	29	-1.0	-42.18	289.94	3.83	-38.35
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973339	0	37	-1.0	-61.03	328.36	4.08	-56.95
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1C	REAL300010973340	0	56	-1.0	-53.74	461.45	8.01	-45.73
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010973341	0	38	-1.0	-45.21	338.65	4.99	-40.22
CC1=CC=CC(F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973342	0	32	-1.0	-44.29	289.05	4.32	-39.97
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973343	0	43	-1.0	-40.88	378.50	4.81	-36.07
N#CCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010973344	0	30	-1.0	-40.10	309.92	4.55	-35.55
CC1=NC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])=CS1	REAL300010973345	0	31	-1.0	-63.09	306.33	1.90	-61.19
N#CCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010973346	0	32	-1.0	-48.05	318.85	2.60	-45.45
N#CCCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010973347	0	35	-1.0	-53.07	343.51	6.39	-46.68
COC(=O)CCCCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973348	0	40	-1.0	-42.93	356.19	4.34	-38.59
CN1N=CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C21	REAL300010973349	0	34	-1.0	-46.02	319.28	2.67	-43.35
COC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973350	0	37	-1.0	-56.05	343.31	1.74	-54.31
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973352	0	32	-1.0	-39.83	332.62	5.09	-34.74
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973353	0	40	-1.0	-57.80	336.84	1.37	-56.43
COC1=C(F)C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973354	0	35	-1.0	-42.30	338.37	4.36	-37.94
COC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973355	0	39	-1.0	-54.87	365.81	2.76	-52.11
N#CCCC(NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973356	0	40	-1.0	-60.00	375.23	5.31	-54.69
COC1=CC=C(CCS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973357	0	39	-1.0	-59.59	350.99	4.28	-55.31
N#CCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010973358	0	32	-1.0	-48.32	315.08	2.48	-45.84
N#CCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010973359	0	40	-1.0	-45.16	356.87	4.87	-40.29
CC1=CC=NC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC=C12	REAL300010973360	0	37	-1.0	-49.10	318.86	5.20	-43.90
N#CCCC(NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010973361	0	32	-1.0	-44.76	308.99	4.47	-40.29
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010973362	0	32	-1.0	-41.91	307.37	4.21	-37.70
CC1=CC(Br)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973363	0	32	-1.0	-42.95	319.86	4.85	-38.10
CSC1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973364	0	33	-1.0	-44.95	313.13	4.66	-40.29
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973365	0	40	-1.0	-64.07	341.19	2.86	-61.21
N#CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010973366	0	41	-1.0	-48.38	364.20	3.95	-44.43
N#CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010973367	0	37	-1.0	-48.49	346.60	4.87	-43.62
COC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973368	0	39	-1.0	-54.87	365.81	2.76	-52.11
CN(C)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973369	0	37	-1.0	-54.30	327.65	3.92	-50.38
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010973370	0	32	-1.0	-39.32	318.75	4.77	-34.55
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(OC)=C1	REAL300010973371	0	39	-1.0	-44.60	342.01	4.32	-40.28
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=CS1	REAL300010973372	0	35	-1.0	-44.89	327.02	4.71	-40.18
COC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1F	REAL300010973373	0	33	-1.0	-51.38	311.80	2.90	-48.48
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973374	0	40	-1.0	-42.08	339.64	4.49	-37.59
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973375	0	43	-1.0	-42.40	382.52	4.90	-37.50
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973376	0	38	-1.0	-58.01	320.50	5.01	-53.00
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010973377	0	43	-1.0	-39.99	371.54	7.07	-32.92
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973378	0	37	-1.0	-43.68	348.68	5.73	-37.95
N#CCCC(NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010973379	0	29	-1.0	-49.07	318.27	4.67	-44.40
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010973379	1	28	-2.0	-117.48	311.23	5.00	-112.48
C[NH+](C)CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973380	0	41	0.0	-85.92	354.72	5.40	-80.52
CN(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973381	0	37	-1.0	-55.34	328.91	3.92	-51.42
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2O1	REAL300010973382	0	44	-1.0	-52.72	399.82	6.19	-46.53
N#CCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010973383	0	32	-1.0	-42.74	311.21	4.14	-38.60
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973384	0	41	-1.0	-44.33	364.87	5.96	-38.37
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010973385	0	29	-1.0	-47.91	309.59	4.56	-43.35
N#CCCC([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010973385	1	28	-2.0	-109.17	309.56	4.38	-104.79
CC1=C(Cl)SC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973386	0	29	-1.0	-41.28	306.14	3.80	-37.48
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010973387	0	35	-1.0	-53.96	322.65	4.06	-49.90
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973388	0	33	-1.0	-46.39	298.11	2.51	-43.88
CC1=CC=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1[N+](=O)[O-]	REAL300010973389	0	37	-1.0	-49.14	328.46	6.73	-42.41
N#CCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010973390	0	35	-1.0	-55.93	337.13	5.32	-50.61
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973391	0	39	-1.0	-40.88	360.80	6.48	-34.40
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973392	0	32	-1.0	-52.49	315.67	4.99	-47.50
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010973393	0	34	-1.0	-48.43	316.08	3.90	-44.53
CC1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973394	0	35	-1.0	-59.50	326.71	4.91	-54.59
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973395	0	37	-1.0	-41.19	329.17	5.32	-35.87
N#CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010973396	0	29	-1.0	-50.82	305.04	4.63	-46.19
CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973397	0	39	-1.0	-40.88	360.80	6.48	-34.40
N#CCCC(NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010973398	0	28	-1.0	-48.58	294.17	2.19	-46.39
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010973399	0	29	-1.0	-49.21	312.22	4.60	-44.61
N#CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010973400	0	40	-1.0	-50.46	372.89	3.33	-47.13
N#CCCC([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010973401	0	28	-2.0	-119.66	288.75	4.31	-115.35
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973402	0	39	-1.0	-47.52	335.82	5.14	-42.38
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1C#N	REAL300010973403	0	33	-1.0	-52.69	316.03	4.41	-48.28
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973404	0	35	-1.0	-52.56	335.37	4.21	-48.35
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973405	0	33	-1.0	-40.07	303.98	4.20	-35.87
N#CCCC(NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973406	0	30	-1.0	-42.62	304.59	2.35	-40.27
N#CCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010973407	0	42	-1.0	-60.78	364.97	6.77	-54.01
CC(C)(C)C1=CC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])=NO1	REAL300010973408	0	40	-1.0	-59.70	357.87	4.23	-55.47
N#CCCC(NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010973409	0	46	-1.0	-54.18	372.54	10.06	-44.12
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC=C12	REAL300010973410	0	43	-1.0	-46.44	371.22	5.78	-40.66
COC1=CC=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973411	0	36	-1.0	-43.63	317.77	3.69	-39.94
COC(=O)C1=CN=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973412	0	34	-1.0	-52.43	326.41	2.35	-50.08
N#CCCC(NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010973413	0	30	-1.0	-50.84	316.58	4.42	-46.42
N#CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973414	0	31	-1.0	-38.27	330.95	5.20	-33.07
N#CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973414	1	30	-2.0	-112.81	321.47	5.53	-107.28
COC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973415	0	36	-1.0	-55.34	333.17	4.00	-51.34
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973416	0	35	-1.0	-50.31	343.31	3.93	-46.38
CN(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973417	0	36	-1.0	-47.84	325.94	3.39	-44.45
COC1=CC(Cl)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1OC	REAL300010973418	0	37	-1.0	-51.86	345.98	3.25	-48.61
N#CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010973419	0	33	-1.0	-52.89	321.80	3.14	-49.75
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010973420	0	32	-1.0	-52.16	320.42	4.58	-47.58
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973421	0	40	-1.0	-57.11	368.19	0.47	-56.64
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2S1	REAL300010973422	0	41	-1.0	-45.69	391.79	6.62	-39.07
N#CCCC(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010973423	0	33	-1.0	-45.84	319.38	4.74	-41.10
N#CCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010973424	0	35	-1.0	-66.97	324.80	3.10	-63.87
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973425	0	34	-1.0	-55.24	333.92	-0.81	-56.05
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973426	0	35	-1.0	-46.91	323.47	3.86	-43.05
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973427	0	37	-1.0	-46.75	353.55	5.43	-41.32
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300010973428	0	33	-1.0	-42.44	316.96	3.46	-38.98
CC1=CC2=C(C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-])OCO2	REAL300010973429	0	35	-1.0	-55.67	314.76	2.99	-52.68
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973430	0	35	-1.0	-48.10	324.56	4.77	-43.33
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010973431	0	29	-1.0	-40.40	306.53	4.65	-35.75
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973432	0	35	-1.0	-41.70	309.23	5.15	-36.55
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010973433	0	29	-1.0	-39.02	308.36	4.83	-34.19
COC1=CC2=C(C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-])OCC(=O)N2	REAL300010973434	0	39	-1.0	-58.00	355.31	0.60	-57.40
N#CCCC([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010973435	0	30	-2.0	-115.52	319.50	5.08	-110.44
N#CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010973435	1	31	-1.0	-39.70	327.04	4.82	-34.88
N#CCCC(NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010973436	0	31	-1.0	-48.02	322.83	4.64	-43.38
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010973436	1	30	-2.0	-110.75	315.77	4.97	-105.78
N#CCCC(NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010973437	0	29	-1.0	-38.21	301.39	4.81	-33.40
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010973437	1	28	-2.0	-113.86	299.63	5.19	-108.67
N#CCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010973438	0	30	-1.0	-45.76	286.75	1.98	-43.78
N#CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010973439	0	29	-1.0	-45.49	303.35	4.23	-41.26
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1OC	REAL300010973440	0	39	-1.0	-53.84	358.12	4.24	-49.60
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010973441	0	29	-1.0	-38.86	304.22	4.67	-34.19
N#CCCC(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010973442	0	32	-1.0	-42.24	316.21	4.77	-37.47
CC(=O)NC1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973443	0	32	-1.0	-58.08	322.17	1.04	-57.04
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973443	1	31	-2.0	-93.71	318.60	-0.08	-93.79
N#CCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010973444	0	32	-1.0	-42.15	320.78	4.88	-37.27
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010973445	0	33	-1.0	-46.12	326.15	0.82	-45.30
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973446	0	38	-1.0	-59.03	338.90	5.83	-53.20
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973447	0	37	-1.0	-54.72	330.94	1.96	-52.76
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010973448	0	33	-1.0	-45.95	330.71	0.92	-45.03
CCOC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973449	0	36	-1.0	-45.60	328.45	3.80	-41.80
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2O1	REAL300010973450	0	40	-1.0	-56.98	346.90	4.58	-52.40
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010973451	0	33	-1.0	-55.50	333.02	4.66	-50.84
COCCN(CCC#N)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973452	0	38	-1.0	-38.41	339.76	2.02	-36.39
CC1=CC=C(CCS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973453	0	38	-1.0	-58.18	342.62	5.69	-52.49
COC1=CC=C(Br)C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973454	0	36	-1.0	-44.23	342.34	4.08	-40.15
N#CCCC(NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010973455	0	33	-1.0	-54.47	305.98	0.70	-53.77
CCN(CC(C)C#N)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973456	0	37	-1.0	-40.32	323.69	3.53	-36.79
N#CCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010973457	0	32	-1.0	-54.03	303.40	2.20	-51.83
N#CCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010973458	0	30	-1.0	-54.23	312.32	4.19	-50.04
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010973459	0	30	-1.0	-42.23	316.53	4.50	-37.73
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973460	0	35	-1.0	-39.05	323.59	5.16	-33.89
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010973461	0	35	-1.0	-60.99	335.80	5.01	-55.98
COCCOCCOCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973462	0	43	-1.0	-48.22	384.30	0.87	-47.35
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973463	0	39	-1.0	-46.59	349.88	0.87	-45.72
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010973464	0	28	-2.0	-127.26	291.95	4.69	-122.57
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010973464	1	29	-1.0	-42.76	296.73	4.37	-38.39
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2CC1	REAL300010973465	0	46	-1.0	-47.56	389.53	5.56	-42.00
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(F)(F)F	REAL300010973466	0	38	-1.0	-52.20	361.28	4.96	-47.24
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300010973467	0	39	-1.0	-50.44	369.88	5.19	-45.25
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973468	0	38	-1.0	-42.04	353.52	6.37	-35.67
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973469	0	38	-1.0	-43.11	350.76	6.07	-37.04
CN(C(=O)NC(CCC#N)C(=O)[O-])C1CCS(=O)(=O)C1	REAL300010973470	0	36	-1.0	-60.77	314.33	2.45	-58.32
CNC(=O)C1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973471	0	39	-1.0	-64.73	356.45	2.48	-62.25
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010973472	0	29	-1.0	-41.25	285.38	3.73	-37.52
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010973472	1	28	-2.0	-124.71	291.83	4.44	-120.27
N#CCCC(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010973473	0	42	-1.0	-41.42	373.17	5.04	-36.38
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(F)C=C1Cl	REAL300010973474	0	38	-1.0	-50.73	371.26	5.56	-45.17
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(F)C=C1Cl	REAL300010973474	1	37	-2.0	-111.23	369.13	5.31	-105.92
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010973475	0	31	-1.0	-42.21	318.84	5.27	-36.94
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010973475	1	30	-2.0	-119.99	317.16	5.66	-114.33
N#CCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010973476	0	38	-1.0	-70.24	337.12	0.68	-69.56
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973477	0	36	-2.0	-121.63	337.42	5.37	-116.26
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300010973478	0	40	-1.0	-54.09	371.29	3.39	-50.70
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(F)C=C1C	REAL300010973479	0	41	-1.0	-52.45	373.13	5.64	-46.81
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973480	0	43	-1.0	-51.20	388.34	1.80	-49.40
COCC1=CC=C(OC)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973481	0	40	-1.0	-45.48	344.23	3.08	-42.40
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973482	0	42	-1.0	-43.46	363.78	5.24	-38.22
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1C	REAL300010973483	0	41	-1.0	-55.34	368.97	5.61	-49.73
N#CCCC(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300010973484	0	32	-1.0	-52.04	312.24	4.86	-47.18
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973485	0	41	-1.0	-59.69	375.16	5.87	-53.82
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973486	0	35	-1.0	-43.10	349.57	6.24	-36.86
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973486	1	34	-2.0	-125.53	343.00	6.53	-119.00
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973487	0	32	-1.0	-40.73	313.80	5.49	-35.24
CC(COC1CCCC1)CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973488	0	45	-1.0	-39.30	373.21	4.85	-34.45
CC1=C(CCS(=O)(=O)NC(CCC#N)C(=O)[O-])SC=N1	REAL300010973489	0	34	-1.0	-58.69	325.00	2.72	-55.97
N#CCCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010973490	0	35	-1.0	-42.32	337.71	5.54	-36.78
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973491	0	38	-1.0	-43.89	345.23	4.79	-39.10
N#CCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010973492	0	39	-1.0	-45.89	351.00	7.02	-38.87
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973493	0	43	-1.0	-55.89	395.31	1.31	-54.58
N#CCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010973494	0	32	-1.0	-57.63	316.52	4.79	-52.84
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN1C	REAL300010973495	0	41	-1.0	-59.69	379.18	4.74	-54.95
CS(=O)(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1Cl	REAL300010973496	0	35	-1.0	-62.16	346.84	1.43	-60.73
N#CCCC(NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010973497	0	33	-1.0	-43.21	322.23	4.41	-38.80
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010973498	0	32	-1.0	-53.40	308.32	4.39	-49.01
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973499	0	31	-1.0	-49.09	299.49	2.77	-46.32
CC1=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(Br)N1C	REAL300010973500	0	32	-1.0	-49.40	317.07	2.98	-46.42
CC1=NC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(Br)N1C	REAL300010973500	1	31	-2.0	-133.56	309.14	3.42	-130.14
N#CCCC(NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973501	0	30	-1.0	-49.12	299.62	2.37	-46.75
COC(=O)C(C)(C)CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973502	0	37	-1.0	-46.54	321.49	3.42	-43.12
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973503	0	42	-1.0	-52.65	370.76	4.46	-48.19
N#CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010973504	0	32	-2.0	-103.78	308.84	3.89	-99.89
N#CCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010973504	1	33	-1.0	-43.45	325.03	2.35	-41.10
CCOC(=O)CC1(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973505	0	38	-1.0	-41.33	334.78	4.73	-36.60
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973507	0	40	-1.0	-56.38	374.07	2.93	-53.45
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(=O)OC(C)C	REAL300010973508	0	44	-1.0	-55.49	389.23	6.32	-49.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973509	0	41	-1.0	-58.07	380.05	2.72	-55.35
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010973510	0	34	-1.0	-54.21	322.51	0.72	-53.49
COC(=O)C1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])CCCC1	REAL300010973511	0	41	-1.0	-65.82	350.46	4.57	-61.25
N#CCCC(NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010973512	0	28	-1.0	-48.26	307.74	2.69	-45.57
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973513	0	36	-1.0	-43.04	348.95	3.80	-39.24
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1C(F)(F)F	REAL300010973514	0	35	-1.0	-50.80	330.52	5.03	-45.77
N#CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010973515	0	40	-1.0	-52.37	381.78	6.87	-45.50
COC(=O)CC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973516	0	38	-1.0	-47.28	354.10	5.01	-42.27
N#CCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010973517	0	31	-1.0	-56.72	307.91	3.05	-53.67
N#CCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010973518	0	39	-1.0	-40.61	317.07	4.96	-35.65
N#CCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010973519	0	35	-1.0	-43.93	337.17	5.49	-38.44
COC(=O)C1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])CCC1	REAL300010973520	0	38	-1.0	-65.98	335.12	3.89	-62.09
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010973521	0	29	-1.0	-51.93	309.38	3.75	-48.18
N#CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010973522	0	33	-1.0	-59.08	324.50	4.51	-54.57
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973523	0	42	-1.0	-46.76	384.74	3.89	-42.87
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973524	0	45	-1.0	-46.81	406.61	4.82	-41.99
COC(=O)C1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])CCCCC1	REAL300010973525	0	44	-1.0	-41.65	358.82	4.96	-36.69
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C1C	REAL300010973526	0	37	-1.0	-44.51	343.40	2.93	-41.58
N#CCCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010973527	0	33	-1.0	-45.96	328.55	3.44	-42.52
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973528	0	38	-1.0	-44.67	370.49	5.67	-39.00
N#CCCC(NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010973529	0	30	-1.0	-51.64	302.79	3.95	-47.69
N#CCCC(NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010973530	0	39	-1.0	-40.45	329.57	2.77	-37.68
N#CCCC(NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010973531	0	45	-1.0	-51.03	408.83	5.40	-45.63
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973532	0	32	-1.0	-53.12	301.86	3.84	-49.28
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010973533	0	31	-1.0	-42.55	320.48	3.19	-39.36
N#CCCC(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010973534	0	42	-1.0	-59.61	333.40	5.52	-54.09
N#CCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010973535	0	38	-1.0	-56.49	340.95	5.12	-51.37
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010973536	0	30	-1.0	-57.67	302.92	2.95	-54.72
N#CCCC(NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010973537	0	35	-1.0	-61.97	332.15	5.08	-56.89
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010973538	0	32	-1.0	-47.23	311.61	2.38	-44.85
CN1C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(C(F)(F)F)=N1	REAL300010973538	1	31	-2.0	-123.40	309.59	2.72	-120.68
N#CCCC(NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973539	0	31	-1.0	-49.37	313.35	5.55	-43.82
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010973539	1	30	-2.0	-116.27	310.72	5.98	-110.29
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(F)C=C1C	REAL300010973540	0	38	-1.0	-52.73	351.55	4.70	-48.03
CC1=CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2N=C1Cl	REAL300010973541	0	37	-1.0	-54.60	352.74	4.88	-49.72
N#CCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010973542	0	38	-1.0	-56.08	329.59	4.66	-51.42
N#CCCC(NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010973543	0	39	-1.0	-44.64	351.68	4.26	-40.38
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C(C)C)=C1	REAL300010973544	0	56	-1.0	-42.38	432.67	9.46	-32.92
N#CCCC(NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010973545	0	34	-1.0	-44.62	314.83	5.01	-39.61
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973546	0	41	-1.0	-61.95	376.41	5.81	-56.14
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973547	0	34	-1.0	-49.81	316.00	3.25	-46.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973548	0	36	-1.0	-42.26	343.14	3.83	-38.43
N#CCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010973549	0	36	-1.0	-44.34	326.38	5.68	-38.66
COC1=CC=C2C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])CCC2=C1	REAL300010973550	0	41	-1.0	-44.52	355.02	5.14	-39.38
N#CCCC(NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010973551	0	37	-1.0	-53.88	336.61	4.48	-49.40
N#CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010973552	0	32	-1.0	-45.19	311.08	4.01	-41.18
N#CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010973552	1	31	-2.0	-119.05	305.78	4.32	-114.73
N#CCCC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010973553	0	32	-1.0	-44.85	326.19	5.62	-39.23
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010973553	1	31	-2.0	-123.41	326.04	5.32	-118.09
N#CCCC(NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010973554	0	32	-1.0	-39.17	323.16	4.87	-34.30
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973555	0	38	-1.0	-49.72	356.84	1.72	-48.00
N#CCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010973556	0	32	-1.0	-55.83	304.79	3.89	-51.94
N#CCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010973557	0	41	-1.0	-41.61	341.76	5.20	-36.41
CC1=CC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2C=C1	REAL300010973558	0	38	-1.0	-54.35	343.59	6.43	-47.92
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010973559	0	26	-1.0	-54.10	272.09	2.37	-51.73
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010973559	1	25	-2.0	-123.85	277.59	3.33	-120.52
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973560	0	38	-1.0	-55.22	357.12	5.40	-49.82
N#CCCC(NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010973561	0	44	-1.0	-60.05	397.98	4.05	-56.00
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973562	0	42	-1.0	-57.74	372.36	3.86	-53.88
N#CCCC(NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010973563	0	32	-1.0	-60.23	318.82	4.68	-55.55
N#CCCC(NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010973564	0	35	-1.0	-48.98	313.69	5.45	-43.53
CCC1=CC(CC)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(CC)=C1	REAL300010973565	0	47	-1.0	-42.15	374.73	7.83	-34.32
N#CCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010973566	0	34	-1.0	-45.42	310.70	3.37	-42.05
N#CCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010973567	0	36	-1.0	-48.15	330.89	3.28	-44.87
N#CCCC(NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010973568	0	31	-1.0	-55.58	324.21	3.42	-52.16
COC1=CC(OC)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973569	0	37	-1.0	-44.40	348.75	3.26	-41.14
N#CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010973570	0	37	-1.0	-47.48	346.05	2.11	-45.37
N#CCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010973571	0	34	-1.0	-50.38	331.39	-1.47	-51.85
CC(C)(CCS(=O)(=O)NC(CCC#N)C(=O)[O-])S(C)(=O)=O	REAL300010973572	0	40	-1.0	-55.40	348.97	0.66	-54.74
COC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1Cl	REAL300010973573	0	33	-1.0	-51.02	321.61	3.38	-47.64
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010973574	0	32	-1.0	-41.10	300.33	0.72	-40.38
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973575	0	42	-1.0	-45.68	370.98	4.66	-41.02
N#CCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010973576	0	34	-1.0	-47.39	311.34	3.34	-44.05
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010973577	0	38	-1.0	-46.54	348.23	6.59	-39.95
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010973578	0	33	-1.0	-40.23	302.31	3.62	-36.61
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010973579	0	33	-1.0	-40.01	311.05	4.34	-35.67
COC(=O)CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973580	0	38	-1.0	-56.82	358.53	5.01	-51.81
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973581	0	42	-1.0	-41.62	363.98	5.44	-36.18
COC(CC(C)C)CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973582	0	41	-1.0	-41.29	343.33	3.38	-37.91
COC1=CC=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973583	0	33	-1.0	-40.23	293.66	3.75	-36.48
N#CCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010973584	0	32	-1.0	-58.86	334.77	5.29	-53.57
N#CCCC(NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010973585	0	39	-1.0	-61.70	336.78	2.78	-58.92
N#CCCC(NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010973586	0	32	-1.0	-41.89	332.92	5.33	-36.56
N#CCCC(NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010973587	0	32	-1.0	-49.48	315.68	2.62	-46.86
CCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300010973588	0	37	-1.0	-59.33	338.50	5.35	-53.98
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973589	0	45	-1.0	-43.36	365.36	5.68	-37.68
N#CCCC(NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010973590	0	36	-1.0	-64.81	342.26	5.36	-59.45
COC1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973591	0	32	-1.0	-43.21	320.41	0.80	-42.41
CCOC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973592	0	38	-1.0	-46.52	345.22	4.81	-41.71
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973593	0	38	-1.0	-43.97	370.65	5.23	-38.74
N#CCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010973594	0	32	-1.0	-59.39	316.47	4.74	-54.65
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1Cl	REAL300010973595	0	32	-1.0	-51.32	311.81	4.60	-46.72
N#CCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010973596	0	35	-1.0	-50.04	323.01	4.51	-45.53
CC1=CSC(C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2)=N1	REAL300010973597	0	38	-1.0	-54.52	362.32	5.00	-49.52
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1F	REAL300010973598	0	35	-1.0	-46.66	350.24	4.73	-41.93
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973598	1	34	-2.0	-122.77	344.71	5.03	-117.74
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973599	0	38	-1.0	-46.42	357.66	4.92	-41.50
CCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973600	0	36	-1.0	-53.15	327.68	3.72	-49.43
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973601	0	35	-1.0	-41.64	331.91	5.43	-36.21
N#CCCC(NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010973602	0	42	-1.0	-41.04	351.07	3.54	-37.50
N#CCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010973603	0	44	-1.0	-50.40	391.02	1.30	-49.10
N#CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010973604	0	37	-1.0	-47.36	328.35	4.79	-42.57
N#CCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010973605	0	36	-1.0	-48.57	342.27	1.43	-47.14
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010973606	0	29	-1.0	-49.40	298.68	4.09	-45.31
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])SC(Br)=C1	REAL300010973607	0	29	-1.0	-49.97	295.75	3.62	-46.35
N#CCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010973608	0	38	-1.0	-49.50	336.47	3.92	-45.58
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973609	0	39	-1.0	-49.46	349.94	2.51	-46.95
N#CCCC(NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010973610	0	35	-1.0	-58.91	327.65	5.08	-53.83
N#CCCC(NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010973611	0	35	-1.0	-44.59	323.21	5.02	-39.57
N#CCCC(NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010973612	0	35	-1.0	-44.19	333.67	5.42	-38.77
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973613	0	33	-1.0	-52.85	331.56	4.04	-48.81
COC1=CC2=C(C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-])C(=O)NCCC2	REAL300010973614	0	44	-1.0	-45.91	363.44	2.75	-43.16
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S2)C1	REAL300010973615	0	40	-1.0	-46.42	367.50	4.03	-42.39
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010973616	0	36	-1.0	-42.35	340.15	5.70	-36.65
COC1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973617	0	38	-1.0	-52.60	315.63	1.32	-51.28
COC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1CCOC1	REAL300010973618	0	40	-1.0	-42.73	339.92	1.35	-41.38
N#CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010973619	0	32	-1.0	-41.11	319.25	4.84	-36.27
N#CCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010973620	0	32	-1.0	-41.40	316.03	4.72	-36.68
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010973621	0	29	-1.0	-39.22	312.92	4.66	-34.56
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973622	0	36	-1.0	-50.92	330.82	0.97	-49.95
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973623	0	54	-1.0	-53.21	456.42	8.45	-44.76
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973624	0	44	-1.0	-55.11	386.23	5.84	-49.27
N#CCCC(NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010973625	0	29	-1.0	-49.27	303.10	4.19	-45.08
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973626	0	35	-1.0	-52.56	335.37	4.21	-48.35
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300010973627	0	43	-1.0	-48.27	385.27	6.63	-41.64
N#CCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010973628	0	43	-1.0	-53.25	393.80	6.85	-46.40
N#CCCC(NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010973629	0	28	-1.0	-58.04	288.78	2.46	-55.58
N#CCCC([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010973629	1	27	-2.0	-128.21	278.93	2.84	-125.37
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2)=N1	REAL300010973630	0	41	-1.0	-58.81	366.15	3.43	-55.38
COC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1=CC=C(F)C=C1	REAL300010973631	0	39	-1.0	-58.34	357.80	4.62	-53.72
N#CCCC(NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010973632	0	41	-1.0	-47.30	361.22	5.03	-42.27
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])N(C)N=C1	REAL300010973633	0	35	-1.0	-45.62	319.29	2.46	-43.16
COC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Cl	REAL300010973634	0	37	-1.0	-53.12	357.32	2.34	-50.78
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC=C12	REAL300010973635	0	41	-1.0	-47.03	368.51	6.43	-40.60
COC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973636	0	40	-1.0	-57.80	361.03	2.60	-55.20
CCOC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1CC1	REAL300010973637	0	39	-1.0	-61.06	340.31	3.78	-57.28
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1F	REAL300010973638	0	35	-1.0	-47.42	342.04	4.31	-43.11
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973638	1	34	-2.0	-122.50	334.38	4.59	-117.91
CC(=O)N1CCC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(Cl)C=C21	REAL300010973639	0	40	-1.0	-55.03	366.25	5.11	-49.92
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973640	0	42	-1.0	-46.01	367.18	5.23	-40.78
COC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1CCCC1	REAL300010973641	0	42	-1.0	-41.80	352.54	3.86	-37.94
COC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1CCCCC1	REAL300010973642	0	45	-1.0	-43.31	367.40	4.57	-38.74
N#CCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010973643	0	32	-1.0	-51.59	316.75	3.06	-48.53
CCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)C	REAL300010973644	0	48	-1.0	-53.31	407.60	6.57	-46.74
N#CCCC(NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010973645	0	32	-1.0	-62.34	326.81	3.38	-58.96
COC1=CC(F)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973646	0	33	-1.0	-40.45	293.61	3.74	-36.71
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010973647	0	37	-1.0	-50.95	336.56	5.90	-45.05
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973648	0	36	-1.0	-50.50	320.37	3.28	-47.22
N#CCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010973649	0	42	-1.0	-54.18	370.15	5.42	-48.76
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])O1	REAL300010973650	0	35	-1.0	-53.84	334.76	2.95	-50.89
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])O1	REAL300010973650	1	34	-2.0	-115.22	325.11	3.30	-111.92
CCC1=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN1CC1CC1	REAL300010973651	0	42	-1.0	-53.15	362.24	6.10	-47.05
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2C1	REAL300010973652	0	40	-1.0	-58.87	359.55	3.99	-54.88
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973653	0	32	-1.0	-42.77	315.49	2.18	-40.59
N#CCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010973654	0	40	-1.0	-44.96	377.39	7.70	-37.26
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973655	0	32	-1.0	-52.49	315.71	4.98	-47.51
N#CCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010973656	0	39	-1.0	-55.60	341.01	6.86	-48.74
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973658	0	36	-1.0	-59.72	344.91	4.14	-55.58
N#CCCC(NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010973659	0	35	-1.0	-45.34	331.62	5.10	-40.24
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1F	REAL300010973660	0	32	-1.0	-52.07	308.51	4.31	-47.76
N#CCCC(NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010973661	0	28	-1.0	-46.56	285.18	1.75	-44.81
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010973661	1	27	-2.0	-114.75	296.42	1.95	-112.80
CC(C)OC1=CN=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973662	0	38	-1.0	-51.36	341.02	2.55	-48.81
N#CCCC(NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010973663	0	35	-1.0	-50.42	337.97	2.02	-48.40
N#CCCC(NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010973664	0	36	-1.0	-46.13	352.33	2.90	-43.23
COC(=O)C1=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])OC=C1	REAL300010973665	0	31	-2.0	-133.19	303.94	2.88	-130.31
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])OC=C1	REAL300010973665	1	32	-1.0	-57.98	309.68	3.02	-54.96
CCC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C)C=C1OC	REAL300010973666	0	42	-1.0	-54.64	359.43	5.12	-49.52
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010973667	0	35	-1.0	-51.27	347.58	5.37	-45.90
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973668	0	37	-1.0	-46.90	346.79	4.59	-42.31
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=N1	REAL300010973669	0	30	-2.0	-129.05	302.75	2.16	-126.89
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=N1	REAL300010973669	1	31	-1.0	-60.28	304.44	2.55	-57.73
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973670	0	32	-1.0	-52.25	324.83	5.39	-46.86
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300010973671	0	38	-1.0	-46.41	325.07	6.59	-39.82
N#CCCC(NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010973672	0	36	-1.0	-51.78	345.56	3.59	-48.19
N#CCCC(NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010973673	0	33	-1.0	-62.42	305.81	4.75	-57.67
CC1=CC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C2NC1=O	REAL300010973674	0	38	-1.0	-56.28	347.12	3.25	-53.03
CN1N=NC2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973675	0	34	-1.0	-54.26	320.19	1.95	-52.31
CC1=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010973676	0	38	-1.0	-49.08	350.43	5.80	-43.28
N#CCCC(NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010973677	0	29	-1.0	-51.51	287.55	1.02	-50.49
N#CCCC([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010973677	1	28	-2.0	-119.06	284.58	1.30	-117.76
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010973678	0	34	-1.0	-48.51	328.46	4.87	-43.64
N#CCCC(NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010973679	0	35	-1.0	-44.93	327.10	5.04	-39.89
N#CCCC(NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010973680	0	41	0.0	-53.28	344.98	4.50	-48.78
C[NH+]1CCN(CCCS(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973681	0	46	0.0	-84.96	377.77	2.73	-82.23
CN1CCN(CCCS(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973681	1	45	-1.0	-40.55	370.13	0.20	-40.35
CN1N=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1Br	REAL300010973682	0	29	-1.0	-40.62	281.90	1.10	-39.52
CN1N=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1I	REAL300010973683	0	29	-1.0	-50.01	302.08	2.01	-48.00
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973684	0	33	-1.0	-39.47	310.11	4.77	-34.70
CC(C)OC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973685	0	38	-1.0	-43.41	344.06	2.09	-41.32
CCCCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=N1	REAL300010973686	0	41	-1.0	-47.57	365.31	4.24	-43.33
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(OC)C=C1F	REAL300010973687	0	39	-1.0	-55.25	363.49	4.07	-51.18
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973688	0	39	-1.0	-46.71	344.46	4.24	-42.47
COC1=C(F)C=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973689	0	33	-1.0	-51.67	310.26	3.65	-48.02
CCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)C	REAL300010973690	0	45	-1.0	-53.93	386.33	5.75	-48.18
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973691	0	41	-1.0	-54.07	354.56	5.75	-48.32
N#CCCC(NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010973693	0	32	-1.0	-59.37	319.87	4.73	-54.64
N#CCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010973694	0	48	-1.0	-59.87	401.84	8.01	-51.86
N#CCCC(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300010973695	0	33	-1.0	-47.08	295.36	2.99	-44.09
N#CCCC(NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010973696	0	26	-1.0	-54.71	273.63	1.40	-53.31
N#CCCC([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010973696	1	25	-2.0	-124.40	268.93	1.83	-122.57
N#CCCC(NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010973697	0	37	-1.0	-62.57	344.59	4.36	-58.21
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010973698	0	28	-1.0	-48.10	299.84	2.65	-45.45
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010973698	1	27	-2.0	-113.86	294.65	3.05	-110.81
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010973699	0	28	-1.0	-46.59	280.60	1.67	-44.92
N#CCCC([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010973699	1	27	-2.0	-119.95	286.97	2.46	-117.49
N#CCCC(NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010973700	0	28	-1.0	-47.99	271.61	1.25	-46.74
N#CCCC([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010973700	1	27	-2.0	-113.81	281.37	1.38	-112.43
COC1=NC=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973701	0	32	-1.0	-41.47	308.28	1.27	-40.20
N#CCCC(NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010973702	0	34	-1.0	-53.76	331.53	4.37	-49.39
N#CCCC(NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010973703	0	31	-1.0	-52.15	316.06	3.36	-48.79
N#CCCC(NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010973704	0	39	-1.0	-45.67	344.66	5.18	-40.49
N#CCCC(NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010973705	0	33	-1.0	-74.03	308.81	0.87	-73.16
CC1(CS(=O)(=O)NC(CCC#N)C(=O)[O-])CC1(Cl)Cl	REAL300010973706	0	32	-1.0	-40.20	314.12	4.33	-35.87
N#CCCC(NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010973707	0	28	-1.0	-45.16	303.97	1.89	-43.27
CCS(=O)(CC)=NS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973708	0	35	-1.0	-58.53	320.84	1.22	-57.31
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C([N+](=O)[O-])S1	REAL300010973709	0	31	-1.0	-53.32	307.87	4.80	-48.52
N#CCCC(NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010973710	0	37	-1.0	-58.00	323.70	2.65	-55.35
CCN1CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1=O	REAL300010973711	0	36	-1.0	-40.67	325.32	2.28	-38.39
CCOC(=O)C1(S(=O)(=O)NC(CCC#N)C(=O)[O-])CCC1	REAL300010973712	0	38	-1.0	-47.06	336.10	4.42	-42.64
CS(=O)(=O)N1CCC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973713	0	40	-1.0	-69.15	361.83	0.06	-69.09
N#CCCC(NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010973714	0	30	-1.0	-42.06	322.31	2.68	-39.38
COC(=O)C1=CC=C(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973715	0	38	-1.0	-62.14	354.53	4.89	-57.25
N#CCCC([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010973716	0	31	-2.0	-126.09	320.76	4.85	-121.24
N#CCCC(NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010973716	1	32	-1.0	-47.52	322.48	4.69	-42.83
CN1N=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1C(F)(F)F	REAL300010973717	0	32	-1.0	-42.38	307.00	2.23	-40.15
CN1N=CC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1C(F)(F)F	REAL300010973717	1	31	-2.0	-110.69	307.31	1.89	-108.80
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973718	0	39	-1.0	-49.80	332.41	3.58	-46.22
N#CCCC(NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010973719	0	26	-1.0	-40.02	283.12	3.09	-36.93
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C(C)(C)C)=N1	REAL300010973720	0	41	-1.0	-58.24	341.42	3.63	-54.61
N#CCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010973721	0	39	-1.0	-48.13	344.55	3.93	-44.20
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973722	0	32	-1.0	-45.53	306.71	2.32	-43.21
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(Br)=N1	REAL300010973723	0	29	-1.0	-47.48	283.68	1.14	-46.34
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010973724	0	31	-1.0	-43.75	311.89	2.65	-41.10
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973725	0	36	-1.0	-44.65	330.73	3.63	-41.02
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010973726	0	43	-1.0	-49.13	380.82	4.76	-44.37
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010973727	0	29	-2.0	-105.01	276.52	2.97	-102.04
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010973727	1	30	-1.0	-44.01	292.38	1.42	-42.59
C=CCCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973728	0	39	-1.0	-53.79	353.58	6.28	-47.51
COC(=O)C1=CNN=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973729	0	32	-1.0	-64.56	304.61	1.05	-63.51
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973729	1	31	-2.0	-135.88	298.65	1.32	-134.56
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973730	0	32	-1.0	-52.06	324.85	5.40	-46.66
CCC1=NN(C)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973731	0	35	-1.0	-47.97	314.08	2.39	-45.58
CC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973732	0	34	-1.0	-55.06	321.11	3.99	-51.07
CC(C)(C)S(C)(=O)=NS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973733	0	38	-1.0	-58.55	340.01	1.64	-56.91
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973733	1	37	-2.0	-139.55	338.03	1.30	-138.25
CCCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)C	REAL300010973734	0	51	-1.0	-52.01	429.07	7.35	-44.66
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C#N)=C1	REAL300010973735	0	33	-1.0	-45.96	316.70	4.53	-41.43
CC1=CC=CC(C#N)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973736	0	33	-1.0	-45.32	308.19	4.75	-40.57
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010973737	0	32	-1.0	-53.99	312.76	4.41	-49.58
N#CCCC(NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010973738	0	40	-1.0	-57.73	363.61	4.14	-53.59
N#CCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010973739	0	33	-1.0	-42.21	323.53	5.25	-36.96
CCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)(C)C	REAL300010973740	0	51	-1.0	-53.40	420.14	7.23	-46.17
CCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1CC	REAL300010973741	0	45	-1.0	-53.41	390.85	6.01	-47.40
N#CCCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973742	0	36	-1.0	-59.84	340.16	5.45	-54.39
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973743	0	35	-1.0	-40.39	317.09	5.50	-34.89
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973744	0	43	-1.0	-49.42	359.70	3.49	-45.93
N#CCCC(NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010973745	0	32	-1.0	-43.79	331.02	5.26	-38.53
N#CCCC(NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010973746	0	32	-1.0	-43.36	318.57	4.82	-38.54
N#CCCC(NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010973747	0	39	-1.0	-46.01	357.84	5.46	-40.55
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973748	0	35	-1.0	-58.73	336.84	5.42	-53.31
CC1=CN=C(Cl)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973749	0	31	-1.0	-50.70	303.95	2.81	-47.89
COC1=CC=C(Br)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1F	REAL300010973750	0	33	-1.0	-46.13	323.35	3.75	-42.38
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1F	REAL300010973750	1	32	-2.0	-133.11	318.56	4.07	-129.04
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973751	0	39	-1.0	-59.67	351.95	5.73	-53.94
CC(C)(CCS(=O)(=O)NC(CCC#N)C(=O)[O-])C1CC1	REAL300010973752	0	41	-1.0	-41.16	340.01	4.99	-36.17
CCOC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])N(C)N=C1	REAL300010973753	0	38	-1.0	-46.68	343.40	3.45	-43.23
N#CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010973754	0	33	-1.0	-55.59	323.73	5.15	-50.44
N#CCCC(NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010973755	0	38	-1.0	-41.86	342.48	5.82	-36.04
N#CCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010973756	0	34	-1.0	-44.31	297.99	0.84	-43.47
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C(C(N)=O)O1	REAL300010973757	0	33	-1.0	-59.91	315.23	-0.97	-60.88
CCCC1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973758	0	38	-1.0	-54.90	326.10	5.97	-48.93
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(=O)OC	REAL300010973759	0	41	-1.0	-55.46	382.00	5.16	-50.30
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973760	0	42	-1.0	-44.91	373.32	4.23	-40.68
N#CCCC(NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010973761	0	38	-1.0	-47.04	337.85	4.25	-42.79
N#CCCC(NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010973762	0	29	-1.0	-42.11	284.81	3.70	-38.41
COC(=O)C1=CC=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973763	0	34	-1.0	-59.41	327.31	2.27	-57.14
N#CCCC(NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010973764	0	35	-1.0	-42.77	327.39	5.10	-37.67
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973765	0	45	-1.0	-52.25	390.85	6.27	-45.98
N#CCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010973766	0	34	-1.0	-50.06	313.61	4.12	-45.94
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973767	0	49	-1.0	-59.16	403.30	5.97	-53.19
COC(=O)C1=CN(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973768	0	36	-1.0	-52.88	334.17	3.66	-49.22
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973769	0	43	-1.0	-55.09	371.64	3.60	-51.49
N#CCCC(NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010973770	0	44	-1.0	-72.21	386.78	6.17	-66.04
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973771	0	43	-1.0	-72.52	377.16	5.44	-67.08
CCC1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973772	0	40	-1.0	-54.95	333.41	3.95	-51.00
N#CCCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010973773	0	36	-2.0	-95.16	321.90	3.32	-91.84
N#CCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010973774	0	36	-1.0	-54.63	326.88	3.21	-51.42
N#CCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010973775	0	36	-1.0	-49.19	320.28	3.24	-45.95
N#CCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010973776	0	39	-1.0	-53.33	336.41	3.91	-49.42
COC(=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C12	REAL300010973777	0	41	-1.0	-46.51	362.79	6.28	-40.23
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973778	0	42	-1.0	-43.86	363.88	4.87	-38.99
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973779	0	39	-1.0	-48.15	349.81	4.36	-43.79
CC1(C)COC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=NN2C1	REAL300010973780	0	40	-1.0	-44.81	337.57	1.47	-43.34
N#CCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010973781	0	35	-1.0	-52.66	343.77	4.46	-48.20
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010973782	0	35	-1.0	-57.00	326.83	0.75	-56.25
N#CCCC([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010973783	0	25	-2.0	-120.06	268.34	2.66	-117.40
N#CCCC(NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010973783	1	26	-1.0	-53.48	278.22	2.27	-51.21
N#CCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010973784	0	36	-1.0	-47.88	316.45	3.52	-44.36
COC1=C(F)C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973785	0	33	-1.0	-40.30	320.78	3.08	-37.22
COC1=CC(F)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1F	REAL300010973786	0	33	-1.0	-53.10	317.84	2.95	-50.15
CCCCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)C	REAL300010973787	0	54	-1.0	-53.25	450.59	8.13	-45.12
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C	REAL300010973788	0	45	-1.0	-56.91	368.87	4.94	-51.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973789	0	39	-1.0	-42.85	349.18	5.02	-37.83
CCOCCOC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1C(C)C	REAL300010973790	0	52	-1.0	-55.78	441.84	5.97	-49.81
CC1=CSC(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973791	0	32	-1.0	-41.66	297.62	4.20	-37.46
CC1CC2=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2O1	REAL300010973792	0	37	-1.0	-56.79	333.02	4.19	-52.60
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973793	0	37	-1.0	-51.52	345.91	3.21	-48.31
N#CCCC(NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010973794	0	37	-1.0	-46.84	343.12	5.74	-41.10
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973795	0	33	-1.0	-44.11	311.93	4.13	-39.98
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973795	1	32	-2.0	-117.14	314.38	3.93	-113.21
CC1=C(Br)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C)S1	REAL300010973796	0	32	-1.0	-53.39	318.46	4.80	-48.59
CC1=CC(Cl)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(Br)=C1	REAL300010973797	0	32	-1.0	-41.78	319.03	5.50	-36.28
COC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=N1	REAL300010973798	0	34	-1.0	-58.35	327.36	2.34	-56.01
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973799	0	46	-1.0	-62.23	386.12	5.63	-56.60
N#CCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010973800	0	35	-1.0	-46.73	329.92	4.21	-42.52
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C21	REAL300010973801	0	43	-1.0	-70.74	375.67	5.15	-65.59
N#CCCC(NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010973802	0	26	-1.0	-40.60	279.69	2.97	-37.63
CN1N=C(Br)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973803	0	29	-1.0	-42.91	296.70	1.63	-41.28
N#CCCC(NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973804	0	31	-1.0	-49.63	310.04	2.66	-46.97
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973805	0	34	-1.0	-62.67	317.52	3.13	-59.54
N#CCCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010973806	0	38	-1.0	-41.76	322.69	3.59	-38.17
N#CCCC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C(=O)[O-]	REAL300010973807	0	33	-1.0	-44.97	316.82	3.59	-41.38
N#CCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010973808	0	30	-1.0	-51.44	291.13	2.30	-49.14
N#CCCC(NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010973809	0	32	-1.0	-62.93	322.25	3.27	-59.66
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010973810	0	32	-1.0	-46.98	316.00	5.00	-41.98
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973811	0	36	-1.0	-48.09	324.72	3.21	-44.88
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)=C1F	REAL300010973812	0	38	-1.0	-43.84	329.35	5.84	-38.00
COC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300010973813	0	37	-1.0	-53.51	333.01	3.43	-50.08
N#CCCC(NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010973814	0	38	-1.0	-55.08	343.22	0.75	-54.33
N#CCCC(NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010973815	0	30	-1.0	-51.02	316.81	4.40	-46.62
N#CCCC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300010973816	0	32	-1.0	-45.14	292.20	3.34	-41.80
COC1=CC=C(F)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300010973817	0	37	-1.0	-47.56	334.94	3.78	-43.78
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1	REAL300010973818	0	31	-2.0	-111.24	326.28	3.31	-107.93
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973818	1	32	-1.0	-45.01	335.78	2.96	-42.05
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2CCCC2)=N1	REAL300010973819	0	42	-1.0	-52.44	359.79	4.28	-48.16
N#CCCC(NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010973820	0	33	-1.0	-43.92	324.08	5.41	-38.51
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2CC2)=N1	REAL300010973821	0	36	-1.0	-47.69	332.71	3.41	-44.28
N#CCCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010973822	0	31	-2.0	-98.72	298.50	3.80	-94.92
N#CCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010973823	0	33	-1.0	-55.87	315.59	3.08	-52.79
N#CCCC(NS(=O)(=O)C1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300010973824	0	33	-1.0	-46.25	317.18	3.64	-42.61
N#CCCC(NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010973825	0	32	-1.0	-58.01	304.33	2.67	-55.34
N#CCCC([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010973825	1	31	-2.0	-132.59	299.04	2.92	-129.67
CN1N=NC2=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CC=C21	REAL300010973826	0	34	-1.0	-54.68	307.98	2.13	-52.55
N#CCCC(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300010973827	0	32	-1.0	-45.14	292.20	3.34	-41.80
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010973828	0	29	-2.0	-91.17	315.30	3.22	-87.95
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1Br	REAL300010973829	0	35	-1.0	-54.68	327.75	5.53	-49.15
CC1(C)CCCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973830	0	40	-1.0	-55.41	330.52	3.88	-51.53
N#CCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010973831	0	35	-1.0	-51.71	345.11	4.68	-47.03
N#CCCC(NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010973832	0	32	-1.0	-45.91	310.81	3.96	-41.95
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2CCC2)=N1	REAL300010973833	0	39	-1.0	-52.83	346.61	3.80	-49.03
N#CCCC(NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010973834	0	37	-1.0	-42.87	334.15	3.49	-39.38
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973835	0	47	-1.0	-42.59	387.81	7.48	-35.11
N#CCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010973836	0	35	-1.0	-41.18	348.01	5.48	-35.70
N#CCCC(NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010973837	0	26	-1.0	-40.11	280.01	3.09	-37.02
N#CCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010973838	0	39	-1.0	-46.75	348.89	4.18	-42.57
N#CCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010973839	0	33	-1.0	-42.01	301.60	4.41	-37.60
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010973840	0	40	-1.0	-55.75	374.83	6.41	-49.34
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973841	0	42	-1.0	-60.10	365.95	1.93	-58.17
COC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300010973842	0	38	-1.0	-68.93	339.77	4.92	-64.01
CCCC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973843	0	38	-1.0	-53.83	340.73	5.71	-48.12
COC(=O)C1=NN(C)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973844	0	35	-1.0	-48.39	333.36	1.92	-46.47
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010973845	0	30	-1.0	-41.35	296.62	3.74	-37.61
CN1N=C2CCCC2=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973846	0	36	-1.0	-50.94	320.05	3.02	-47.92
N#CCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973847	0	33	-1.0	-40.24	333.61	4.92	-35.32
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C2C=C1	REAL300010973848	0	41	-1.0	-56.19	376.96	6.42	-49.77
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973849	0	38	-1.0	-43.75	320.64	3.21	-40.54
CC(C)(C)N1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=N1	REAL300010973850	0	38	-1.0	-45.93	339.41	3.25	-42.68
N#CCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010973851	0	36	-1.0	-45.29	325.07	2.59	-42.70
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CN=C1C(F)(F)F	REAL300010973852	0	34	-1.0	-48.94	327.12	3.34	-45.60
N#CCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973853	0	32	-1.0	-40.31	322.30	4.64	-35.67
N#CCCC(NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010973854	0	32	-1.0	-54.93	304.12	4.34	-50.59
N#CCCC(NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010973855	0	29	-1.0	-51.89	292.83	3.85	-48.04
N#CCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010973856	0	29	-1.0	-40.05	308.91	3.68	-36.37
N#CCCC(NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010973857	0	34	-1.0	-41.92	306.57	2.89	-39.03
CC(=O)NCC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973858	0	39	-1.0	-57.94	358.27	2.52	-55.42
N#CCCC(NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973859	0	26	-1.0	-44.17	281.53	2.32	-41.85
N#CCCC([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010973859	1	25	-2.0	-115.55	273.99	2.58	-112.97
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010973860	0	32	-1.0	-51.50	327.99	4.93	-46.57
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010973861	0	32	-1.0	-52.92	292.63	4.68	-48.24
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973862	0	40	-1.0	-48.95	361.74	5.61	-43.34
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010973863	0	40	-1.0	-55.95	345.69	6.59	-49.36
CC1(C)OC(=O)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973864	0	39	-1.0	-48.28	357.40	5.26	-43.02
N#CCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010973865	0	35	-1.0	-53.09	339.58	4.56	-48.53
N#CCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010973866	0	35	-1.0	-43.49	317.85	4.05	-39.44
N#CCCC(NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010973867	0	34	-1.0	-39.63	315.16	4.23	-35.40
N#CCCC(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010973868	0	36	-1.0	-45.64	325.44	1.84	-43.80
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973869	0	39	-1.0	-52.00	372.58	4.28	-47.72
N#CCCC(NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010973870	0	29	-1.0	-40.59	311.84	4.78	-35.81
N#CCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010973871	0	29	-1.0	-49.40	283.83	3.43	-45.97
N#CCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010973872	0	36	-1.0	-53.27	325.31	5.63	-47.64
COC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=CS1	REAL300010973873	0	30	-1.0	-43.24	297.60	2.02	-41.22
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973874	0	32	-1.0	-40.85	303.46	5.03	-35.82
COC(=O)C1=C(C)SC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973875	0	35	-1.0	-42.35	341.07	3.92	-38.43
N#CCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010973876	0	36	-1.0	-46.27	319.31	5.33	-40.94
N#CCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010973877	0	39	-1.0	-49.79	341.96	4.15	-45.64
CCC(C)N1N=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973878	0	38	-1.0	-52.34	327.30	2.95	-49.39
CNC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973879	0	38	-1.0	-59.21	347.57	1.02	-58.19
CS(=O)(=O)C1=CSC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973880	0	32	-1.0	-52.93	331.10	0.07	-52.86
CNC(=O)NC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973881	0	38	-1.0	-59.21	347.57	1.02	-58.19
N#CCCC(NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010973882	0	30	-1.0	-54.96	301.45	3.88	-51.08
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010973883	0	32	-1.0	-60.80	294.05	4.22	-56.58
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973884	0	41	-1.0	-59.34	362.55	7.18	-52.16
CN(C1CCCCCC1)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973885	0	43	-1.0	-39.84	341.34	4.40	-35.44
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010973886	0	29	-1.0	-44.23	301.01	2.80	-41.43
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010973886	1	28	-2.0	-112.13	291.53	3.14	-108.99
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973887	0	33	-1.0	-53.07	317.00	3.51	-49.56
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2CCOCC2)=N1	REAL300010973888	0	43	-1.0	-47.40	374.84	2.74	-44.66
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973889	0	35	-1.0	-45.27	330.37	5.10	-40.17
N#CCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010973890	0	33	-1.0	-53.79	315.61	3.08	-50.71
N#CCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010973891	0	44	-1.0	-56.41	371.78	6.15	-50.26
COC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])S1	REAL300010973892	0	30	-1.0	-42.19	298.71	1.99	-40.20
CC1=CC(C)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=NC=CC=C12	REAL300010973893	0	40	-1.0	-50.82	345.76	5.88	-44.94
N#CCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010973894	0	37	-1.0	-39.09	332.65	3.70	-35.39
N#CCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010973895	0	32	-1.0	-43.80	309.83	2.27	-41.53
CCOCC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973896	0	39	-1.0	-44.56	354.07	4.26	-40.30
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973897	0	38	-1.0	-44.26	351.74	5.63	-38.63
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973898	0	39	-1.0	-48.99	355.81	4.82	-44.17
N#CCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010973899	0	42	-1.0	-46.40	361.28	4.49	-41.91
N#CCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010973900	0	40	-1.0	-53.08	365.01	6.36	-46.72
N#CCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010973901	0	32	-1.0	-57.70	293.73	4.52	-53.18
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973902	0	41	-1.0	-60.75	362.38	6.17	-54.58
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC(C)=C1Br	REAL300010973903	0	35	-1.0	-42.81	334.85	5.32	-37.49
N#CCCC(NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010973904	0	34	-1.0	-51.19	335.71	4.94	-46.25
N#CCCC([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010973904	1	33	-2.0	-122.26	330.45	5.39	-116.87
N#CCCC(NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010973905	0	28	-1.0	-45.45	299.73	1.79	-43.66
N#CCCC(NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010973907	0	33	-1.0	-61.08	314.94	2.99	-58.09
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010973908	0	29	-2.0	-105.01	276.52	2.97	-102.04
N#CCCC(NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010973908	1	30	-1.0	-44.01	292.38	1.42	-42.59
N#CCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010973909	0	35	-1.0	-43.40	348.18	5.06	-38.34
N#CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010973909	1	34	-2.0	-113.29	351.62	4.59	-108.70
N#CCCC(NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010973910	0	28	-1.0	-48.33	293.81	2.17	-46.16
N#CCCC(NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010973911	0	41	-1.0	-60.14	360.27	1.22	-58.92
CCN1N=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1Cl	REAL300010973912	0	32	-1.0	-41.65	301.88	1.92	-39.73
N#CCCC(NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010973913	0	33	-1.0	-55.47	327.75	5.25	-50.22
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2	REAL300010973914	0	35	-1.0	-43.44	362.23	4.81	-38.63
N#CCCC([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010973915	0	28	-2.0	-115.16	304.28	4.17	-110.99
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973916	0	31	-1.0	-47.67	305.69	2.40	-45.27
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973916	1	30	-2.0	-118.40	310.62	3.13	-115.27
N#CCCC(NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010973917	0	34	-1.0	-60.69	334.04	4.72	-55.97
N#CCCC(NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010973918	0	34	-1.0	-48.23	329.40	4.59	-43.64
N#CCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973919	0	31	-1.0	-47.67	305.69	2.40	-45.27
N#CCCC([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010973919	1	30	-2.0	-118.40	310.62	3.13	-115.27
CC1=CC=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=CC=CC=C12	REAL300010973920	0	38	-1.0	-46.22	330.37	6.26	-39.96
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973921	0	33	-1.0	-47.38	328.55	4.57	-42.81
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973921	1	32	-2.0	-130.57	326.56	4.28	-126.29
N#CCCC(NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010973922	0	36	-1.0	-56.47	334.26	3.88	-52.59
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973923	0	43	-1.0	-43.58	379.47	5.05	-38.53
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010973924	0	29	-1.0	-48.98	304.18	4.14	-44.84
N#CCCC([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010973924	1	28	-2.0	-113.55	301.62	3.89	-109.66
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])O1	REAL300010973925	0	35	-1.0	-60.97	340.94	-0.13	-61.10
CN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300010973926	0	39	-1.0	-50.40	348.05	4.93	-45.47
N#CCCC(NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010973927	0	35	-1.0	-44.19	346.33	0.89	-43.30
N#CCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010973928	0	33	-1.0	-55.40	315.89	4.80	-50.60
N#CCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010973929	0	33	-1.0	-42.13	328.09	5.35	-36.78
N#CCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010973930	0	33	-1.0	-54.52	330.53	5.37	-49.15
N#CCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010973931	0	34	-1.0	-43.00	318.92	-2.52	-45.52
N#CCCC(NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300010973932	0	32	-1.0	-55.46	302.67	3.92	-51.54
N#CCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010973933	0	35	-1.0	-59.28	306.96	3.80	-55.48
N#CCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010973934	0	31	-1.0	-53.28	307.00	2.91	-50.37
N#CCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010973935	0	37	-1.0	-57.87	330.81	0.71	-57.16
CC1=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010973936	0	38	-1.0	-57.44	348.88	3.12	-54.32
CC1=NC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010973936	1	37	-2.0	-138.33	345.66	2.82	-135.51
N#CCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010973937	0	46	-1.0	-60.12	352.98	6.38	-53.74
CC1(C)COC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973938	0	39	-1.0	-63.17	336.56	2.69	-60.48
N#CCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010973939	0	32	-1.0	-68.25	306.97	-0.81	-69.06
CC(C)(CS(=O)(=O)NC(CCC#N)C(=O)[O-])C(C)(F)F	REAL300010973940	0	37	-1.0	-45.37	311.56	3.95	-41.42
CS(=O)(=O)CCCCS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973941	0	37	-1.0	-53.64	343.05	0.31	-53.33
CC1(C)CCC(CS(=O)(=O)NC(CCC#N)C(=O)[O-])OC1	REAL300010973942	0	42	-1.0	-60.79	350.24	3.87	-56.92
CCOC(=O)C1=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2C=CC=CN12	REAL300010973943	0	41	-1.0	-59.03	376.46	5.52	-53.51
N#CCCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010973944	0	39	-1.0	-40.84	345.11	5.84	-35.00
N#CCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010973945	0	33	-1.0	-66.35	324.20	2.52	-63.83
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C2C=C1	REAL300010973946	0	38	-1.0	-56.52	357.31	5.35	-51.17
N#CCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010973947	0	39	-1.0	-61.54	358.16	6.35	-55.19
N#CCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010973948	0	38	-1.0	-42.42	326.29	0.93	-41.49
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973949	0	38	-1.0	-67.28	349.18	4.36	-62.92
N#CCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010973950	0	42	-1.0	-40.48	339.74	5.48	-35.00
N#CCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010973951	0	33	-1.0	-54.41	320.87	4.86	-49.55
COC(=O)C1CCCCN1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973952	0	40	-1.0	-56.40	326.25	3.71	-52.69
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C21	REAL300010973953	0	51	-1.0	-54.13	405.95	7.66	-46.47
N#CCCC(NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010973954	0	32	-1.0	-59.25	321.52	4.34	-54.91
COC1=CC=C(C=C(C)S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C1	REAL300010973955	0	40	-1.0	-55.81	349.78	4.54	-51.27
CC1=CC=CC(CNS(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973956	0	37	-1.0	-43.21	334.06	3.40	-39.81
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=NN1	REAL300010973957	0	35	-1.0	-44.77	331.98	1.61	-43.16
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973957	1	34	-2.0	-94.83	330.92	1.30	-93.53
CCOC(=O)C1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=N[N-]1	REAL300010973957	1	34	-2.0	-94.93	331.12	1.32	-93.61
COC1=CSC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1OC	REAL300010973958	0	34	-1.0	-39.93	317.35	1.22	-38.71
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])=C1	REAL300010973959	0	31	-2.0	-110.51	322.21	3.21	-107.30
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973959	1	32	-1.0	-43.81	329.45	2.83	-40.98
N#CCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010973960	0	41	-1.0	-42.41	332.63	3.98	-38.43
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973961	0	40	-1.0	-39.68	345.45	5.19	-34.49
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973962	0	33	-1.0	-44.44	325.74	4.66	-39.78
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973962	1	32	-2.0	-115.94	328.55	4.52	-111.42
N#CCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010973963	0	33	-1.0	-53.10	325.41	4.36	-48.74
COC1=CC(F)=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973964	0	33	-1.0	-44.41	314.71	3.13	-41.28
COC1=CC(F)=C(S(=O)(=O)[N-]C(CCC#N)C(=O)[O-])C(F)=C1	REAL300010973964	1	32	-2.0	-127.99	307.59	3.41	-124.58
N#CCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010973965	0	33	-1.0	-56.64	321.57	3.17	-53.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973966	0	35	-1.0	-51.76	320.46	3.43	-48.33
N#CCCC(NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010973967	0	32	-1.0	-53.40	302.23	4.89	-48.51
N#CCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010973968	0	38	-1.0	-42.44	353.76	4.01	-38.43
N#CCCC(NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010973969	0	26	-1.0	-48.39	301.91	3.65	-44.74
N#CCCC([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010973969	1	25	-2.0	-112.52	294.68	3.96	-108.56
CN1N=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1Cl	REAL300010973970	0	29	-1.0	-41.16	280.49	1.05	-40.11
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973971	0	42	-1.0	-54.07	365.10	5.84	-48.23
CC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010973972	0	46	-1.0	-54.49	394.52	5.43	-49.06
N#CCCC(NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010973973	0	32	-1.0	-46.34	330.37	4.90	-41.44
N#CCCC(NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010973974	0	34	-1.0	-56.46	328.79	4.20	-52.26
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973975	0	37	-1.0	-55.19	325.83	2.47	-52.72
N#CCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010973976	0	40	-1.0	-46.22	365.49	6.44	-39.78
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973977	0	35	-1.0	-65.95	306.02	4.66	-61.29
COC(=O)C1=CNN=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973978	0	32	-1.0	-64.56	304.61	1.05	-63.51
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(CCC#N)C(=O)[O-]	REAL300010973978	1	31	-2.0	-135.88	298.65	1.32	-134.56
N#CCCC(NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010973979	0	34	-1.0	-44.54	329.77	2.12	-42.42
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010973980	0	30	-1.0	-45.96	318.64	2.36	-43.60
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973981	0	31	-1.0	-40.68	301.03	3.00	-37.68
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973982	0	40	-1.0	-45.94	360.81	5.20	-40.74
CCN1C=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C(C2CC2)=N1	REAL300010973983	0	39	-1.0	-48.27	354.64	4.30	-43.97
CC1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C2=NSN=C2C=C1	REAL300010973984	0	33	-1.0	-63.09	315.57	2.93	-60.16
N#CCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010973985	0	35	-1.0	-53.30	338.95	6.27	-47.03
CC(=O)OC1CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])C1	REAL300010973986	0	37	-1.0	-56.98	334.61	2.66	-54.32
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010973987	0	39	-1.0	-44.76	368.08	7.51	-37.25
COC(=O)C1=C(S(=O)(=O)NC(CCC#N)C(=O)[O-])C=C(Cl)S1	REAL300010973988	0	32	-1.0	-53.78	329.62	4.44	-49.34
CCC1=CC(S(=O)(=O)NC(CCC#N)C(=O)[O-])=CC=C1Br	REAL300010973989	0	35	-1.0	-51.21	335.37	5.37	-45.84
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973990	0	42	-1.0	-49.48	363.62	4.75	-44.73
N#CCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010973991	0	26	-1.0	-39.34	283.79	3.08	-36.26
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300010973992	0	43	-1.0	-42.83	365.76	3.85	-38.98
N#CCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010973993	0	35	-1.0	-53.13	333.46	6.29	-46.84
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973994	0	37	-1.0	-48.70	324.97	1.27	-47.43
N#CCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010973995	0	36	-1.0	-43.09	317.87	5.73	-37.36
CC1(C)CCN(S(=O)(=O)NC(CCC#N)C(=O)[O-])CC1	REAL300010973996	0	40	-1.0	-41.30	329.60	3.68	-37.62
N#CCCC(NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010973997	0	38	-1.0	-44.53	326.78	0.09	-44.44
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010973998	0	43	-1.0	-61.61	378.29	3.88	-57.73
N#CCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010973999	0	44	-1.0	-53.51	378.00	3.90	-49.61
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CCC#N)C(=O)[O-]	REAL300010974000	0	32	-1.0	-41.39	301.90	1.49	-39.90
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1F	REAL300010975936	0	36	-1.0	-47.51	301.19	3.97	-43.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300010975937	0	36	-1.0	-50.93	323.47	4.67	-46.26
COC(=O)C1CCCCC1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975938	0	41	-1.0	-52.50	327.67	5.76	-46.74
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975939	0	44	-1.0	-47.38	349.68	5.14	-42.24
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975940	0	37	-1.0	-48.84	333.29	6.51	-42.33
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975941	0	36	-1.0	-55.17	315.43	3.02	-52.15
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975942	0	37	-1.0	-49.22	311.33	5.80	-43.42
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300010975943	0	34	-1.0	-49.24	313.56	4.66	-44.58
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(I)C=C2)C1	REAL300010975944	0	29	-1.0	-45.38	286.87	5.23	-40.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300010975945	0	31	-1.0	-57.95	280.05	5.99	-51.96
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)O2)C1	REAL300010975946	0	26	-1.0	-49.71	262.38	2.86	-46.85
N#CC1(CS(=O)(=O)N2CCC(C(=O)[O-])C2)CCCCC1	REAL300010975947	0	39	-1.0	-48.94	314.20	5.05	-43.89
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300010975948	0	31	-1.0	-52.87	287.32	4.80	-48.07
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975949	0	33	-1.0	-46.59	310.24	4.04	-42.55
CCOC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN1C	REAL300010975950	0	39	-1.0	-48.91	341.57	5.16	-43.75
O=C([O-])C1CCN(S(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C1	REAL300010975951	0	42	-1.0	-55.28	370.79	5.23	-50.05
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300010975952	0	36	-1.0	-47.50	320.67	1.83	-45.67
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=C4C(=C2)CC(=O)N4CCC3)C1	REAL300010975953	0	41	-1.0	-49.30	343.13	5.63	-43.67
O=C([O-])C1CCN(S(=O)(=O)C2=C(F)C=CC=C2Cl)C1	REAL300010975954	0	29	-1.0	-52.28	274.33	4.94	-47.34
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(Cl)=N1	REAL300010975955	0	31	-1.0	-52.37	282.43	3.21	-49.16
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975956	0	34	-1.0	-47.22	303.68	4.41	-42.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300010975957	0	36	-1.0	-51.39	320.61	5.56	-45.83
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300010975958	0	33	-1.0	-45.39	313.70	5.58	-39.81
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975959	0	31	-1.0	-49.16	297.24	4.45	-44.71
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975960	0	39	-1.0	-53.94	342.50	0.70	-53.24
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN=C1Cl	REAL300010975961	0	32	-1.0	-44.85	299.37	2.08	-42.77
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300010975962	0	38	-1.0	-48.59	335.07	5.09	-43.50
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300010975963	0	44	-1.0	-52.16	372.24	4.54	-47.62
O=C([O-])C1CCN(S(=O)(=O)C2=CSC([N+](=O)[O-])=C2)C1	REAL300010975964	0	28	-1.0	-50.27	279.69	3.88	-46.39
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975965	0	47	0.0	-69.57	374.98	5.31	-64.26
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300010975966	0	35	-1.0	-49.28	309.67	5.57	-43.71
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975967	0	32	-1.0	-43.67	287.83	5.23	-38.44
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300010975968	0	33	-1.0	-52.99	289.50	3.96	-49.03
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Br)C=C2F)C1	REAL300010975969	0	29	-1.0	-48.53	282.07	4.70	-43.83
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975970	0	37	-1.0	-53.81	313.12	4.66	-49.15
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300010975971	0	56	-1.0	-47.13	445.64	8.67	-38.46
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300010975972	0	38	-1.0	-48.91	319.37	5.50	-43.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975973	0	43	-1.0	-53.90	377.59	5.29	-48.61
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975974	0	30	-1.0	-48.07	286.32	4.85	-43.22
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300010975975	0	32	-1.0	-53.41	303.39	3.21	-50.20
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300010975976	0	44	-1.0	-54.22	363.83	5.10	-49.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300010975977	0	35	-1.0	-47.24	325.73	7.01	-40.23
COC(=O)CCCCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975978	0	40	-1.0	-51.01	342.99	4.99	-46.02
CN1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CN=C21	REAL300010975979	0	34	-1.0	-50.27	303.80	3.26	-47.01
COC(=O)C1=CC(Br)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300010975980	0	32	-1.0	-44.57	324.11	4.58	-39.99
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975981	0	37	-1.0	-49.95	326.04	2.36	-47.59
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)C1	REAL300010975983	0	32	-1.0	-44.04	315.24	5.66	-38.38
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975984	0	40	-1.0	-52.02	341.75	3.09	-48.93
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975985	0	34	-1.0	-49.28	310.87	5.73	-43.55
COC1=C(F)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975986	0	35	-1.0	-47.75	322.96	4.95	-42.80
COC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300010975987	0	39	-1.0	-50.46	349.24	3.46	-47.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCOC3=O)C([N+](=O)[O-])=C2)C1	REAL300010975988	0	40	-1.0	-59.18	357.48	5.93	-53.25
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300010975989	0	39	-1.0	-48.59	333.95	4.94	-43.65
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300010975990	0	44	-1.0	-54.19	378.51	5.55	-48.64
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300010975991	0	32	-1.0	-51.70	296.21	3.04	-48.66
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300010975992	0	40	-1.0	-49.44	340.34	5.47	-43.97
CC1=CC=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=CC=C12	REAL300010975993	0	37	-1.0	-56.60	312.57	5.67	-50.93
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C(OC)C=C1Br	REAL300010975994	0	37	-1.0	-47.94	332.78	3.97	-43.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(C(F)F)=C2)C1	REAL300010975995	0	32	-1.0	-50.40	293.27	5.06	-45.34
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2F)C1	REAL300010975996	0	32	-1.0	-48.46	299.52	5.07	-43.39
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300010975997	0	32	-1.0	-47.23	302.15	5.40	-41.83
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010975998	0	33	-1.0	-53.41	288.65	4.93	-48.48
CC(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300010975999	0	36	-1.0	-50.24	332.78	3.75	-46.49
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300010976000	0	40	-1.0	-59.59	344.96	4.00	-55.59
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010977228	0	41	-1.0	-51.32	344.74	4.73	-46.59
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010977229	0	41	-1.0	-58.31	362.61	5.11	-53.20
CCCC[C@@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010977230	0	46	-1.0	-61.37	359.75	5.75	-55.62
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010977231	0	49	-1.0	-51.28	387.86	5.43	-45.85
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010977232	0	42	-1.0	-52.15	367.13	6.64	-45.51
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010977233	0	41	-1.0	-58.16	354.54	3.44	-54.72
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010977234	0	42	-1.0	-49.13	354.50	6.56	-42.57
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010977235	0	39	-1.0	-57.13	353.69	4.94	-52.19
CCCC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010977236	0	34	-1.0	-50.13	326.04	5.67	-44.46
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977237	0	36	-1.0	-60.19	313.06	6.03	-54.16
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977238	0	31	-1.0	-52.73	304.11	3.32	-49.41
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977238	1	30	-2.0	-124.96	296.12	3.63	-121.33
CCCC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010977239	0	44	-1.0	-60.87	353.13	5.45	-55.42
CCCC[C@@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010977240	0	46	-1.0	-56.02	347.95	6.05	-49.97
CCCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977241	0	36	-1.0	-50.95	326.74	5.22	-45.73
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010977242	0	38	-1.0	-52.28	349.26	4.47	-47.81
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977243	0	44	-1.0	-61.21	382.08	5.61	-55.60
CCCC[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010977244	0	47	-1.0	-64.73	409.72	5.64	-59.09
CCCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300010977245	0	41	-1.0	-47.96	359.56	2.28	-45.68
CCCC[C@@H](NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300010977246	0	36	-1.0	-51.02	329.21	3.19	-47.83
CCCC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010977247	0	46	-1.0	-55.26	382.54	5.99	-49.27
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010977248	0	34	-1.0	-57.04	311.15	5.24	-51.80
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010977248	1	33	-2.0	-137.97	307.78	5.66	-132.31
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010977249	0	36	-1.0	-51.74	326.51	3.84	-47.90
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010977250	0	39	-1.0	-54.40	347.48	4.85	-49.55
CCCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010977251	0	41	-1.0	-53.73	362.92	5.93	-47.80
CCCC[C@@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010977252	0	38	-1.0	-53.97	353.48	6.03	-47.94
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010977253	0	36	-1.0	-49.11	337.40	4.90	-44.21
CCCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010977254	0	44	-1.0	-65.71	381.41	1.09	-64.62
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010977255	0	37	-1.0	-46.99	339.14	2.53	-44.46
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010977256	0	39	-1.0	-53.28	341.22	5.04	-48.24
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010977257	0	43	-1.0	-52.33	374.48	5.50	-46.83
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010977258	0	49	-1.0	-51.88	412.02	5.01	-46.87
CCCC[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977259	0	33	-1.0	-54.52	319.77	4.34	-50.18
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010977260	0	52	0.0	-85.36	412.42	5.67	-79.69
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300010977261	0	43	-1.0	-57.06	365.01	6.68	-50.38
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010977262	0	40	-1.0	-55.86	348.60	5.97	-49.89
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010977263	0	37	-1.0	-51.32	331.71	6.00	-45.32
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010977264	0	38	-1.0	-59.34	336.72	4.65	-54.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010977265	0	34	-1.0	-49.92	325.71	5.26	-44.66
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010977266	0	42	-1.0	-62.56	350.52	5.13	-57.43
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010977267	0	43	-1.0	-54.90	360.13	6.00	-48.90
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300010977268	0	37	-1.0	-60.22	319.17	5.56	-54.66
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010977269	0	48	-1.0	-45.75	421.40	5.70	-40.05
CCCC[C@@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010977270	0	38	-1.0	-56.63	316.41	3.56	-53.07
CCCC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010977271	0	35	-1.0	-40.28	333.21	5.60	-34.68
CCCC[C@@H](NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300010977272	0	36	-1.0	-60.65	328.71	2.93	-57.72
CCCC[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010977273	0	37	-1.0	-58.35	343.31	3.62	-54.73
CCCC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010977274	0	45	-1.0	-61.78	381.92	5.40	-56.38
CCCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010977275	0	39	-1.0	-50.95	342.63	3.67	-47.28
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010977276	0	42	-1.0	-58.23	365.43	2.78	-55.45
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977278	0	37	-1.0	-49.01	354.08	6.10	-42.91
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300010977279	0	45	-1.0	-59.11	345.69	2.48	-56.63
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977280	0	40	-1.0	-46.78	361.97	5.37	-41.41
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977281	0	44	-1.0	-49.69	389.22	3.91	-45.78
CCCC[C@@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010977282	0	44	-1.0	-56.34	373.13	5.34	-51.00
CCCC[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010977283	0	37	-1.0	-55.43	338.19	3.43	-52.00
CCCC[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010977284	0	45	-1.0	-57.28	379.51	5.89	-51.39
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010977285	0	42	-1.0	-61.42	355.96	5.92	-55.50
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010977286	0	37	-1.0	-52.84	330.47	5.44	-47.40
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010977287	0	37	-1.0	-41.54	343.54	5.68	-35.86
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010977288	0	37	-1.0	-50.62	340.99	5.85	-44.77
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010977289	0	38	-1.0	-58.57	332.40	5.57	-53.00
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010977290	0	45	-1.0	-67.34	366.43	4.30	-63.04
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010977291	0	46	-1.0	-56.37	385.40	4.67	-51.70
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010977292	0	42	-1.0	-51.11	368.03	5.81	-45.30
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977293	0	44	-1.0	-49.69	389.22	3.91	-45.78
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010977294	0	42	-1.0	-54.59	349.62	4.93	-49.66
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010977295	0	37	-1.0	-57.36	344.72	5.81	-51.55
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010977296	0	44	-1.0	-54.51	381.46	5.11	-49.40
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010977297	0	40	-1.0	-58.03	353.27	5.79	-52.24
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010977298	0	38	-1.0	-50.96	334.24	3.92	-47.04
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010977299	0	45	-1.0	-61.31	388.05	4.74	-56.57
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010977300	0	48	-1.0	-60.97	415.84	5.91	-55.06
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010977301	0	43	-1.0	-58.48	343.15	6.07	-52.41
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010977302	0	48	-1.0	-44.79	414.38	7.98	-36.81
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977303	0	42	-1.0	-61.48	367.35	6.62	-54.86
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010977304	0	46	0.0	-84.52	376.60	6.47	-78.05
CCCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010977305	0	42	-1.0	-55.46	349.72	4.97	-50.49
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300010977306	0	49	-1.0	-52.95	422.16	7.22	-45.73
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010977307	0	37	-1.0	-55.45	333.84	5.12	-50.33
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300010977308	0	46	-1.0	-61.94	386.84	6.97	-54.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010977309	0	34	-1.0	-47.42	331.49	5.62	-41.80
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010977309	1	33	-2.0	-121.58	324.99	6.09	-115.49
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010977310	0	34	-1.0	-51.20	328.21	4.79	-46.41
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010977311	0	40	-1.0	-53.08	344.74	5.11	-47.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010977312	0	38	-1.0	-52.84	333.64	3.94	-48.90
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977313	0	42	-1.0	-70.13	356.77	7.88	-62.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010977314	0	40	-1.0	-55.38	359.23	6.35	-49.03
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010977315	0	44	-1.0	-47.47	381.18	7.45	-40.02
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010977316	0	37	-1.0	-51.60	336.81	5.88	-45.72
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010977317	0	39	-1.0	-52.20	339.43	4.93	-47.27
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010977318	0	40	-1.0	-60.13	348.61	5.97	-54.16
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010977319	0	42	-1.0	-59.29	357.56	6.68	-52.61
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010977320	0	34	-1.0	-51.54	327.43	5.66	-45.88
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010977321	0	44	-1.0	-47.47	381.18	7.45	-40.02
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010977322	0	33	-1.0	-46.40	316.08	3.25	-43.15
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010977323	0	34	-1.0	-50.55	334.41	5.64	-44.91
CCCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010977324	0	45	-1.0	-51.45	395.14	4.34	-47.11
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010977325	0	33	-2.0	-129.40	310.90	5.35	-124.05
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010977326	0	44	-1.0	-58.61	360.07	6.36	-52.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300010977327	0	37	-1.0	-51.64	325.75	1.22	-50.42
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300010977328	0	38	-1.0	-51.27	338.48	5.43	-45.84
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010977329	0	40	-1.0	-55.22	357.57	5.25	-49.97
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010977330	0	38	-1.0	-43.91	344.38	4.90	-39.01
CCCC[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977331	0	35	-1.0	-55.58	326.89	3.34	-52.24
CCCC[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010977332	0	47	-1.0	-57.15	386.87	7.84	-49.31
CCCC[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010977333	0	45	-1.0	-56.13	380.00	5.29	-50.84
CCCC[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010977334	0	51	-1.0	-56.51	395.04	11.06	-45.45
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010977335	0	48	-1.0	-55.04	391.02	6.67	-48.37
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010977336	0	41	-1.0	-58.74	339.99	4.66	-54.08
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977337	0	39	-1.0	-55.36	348.48	3.40	-51.96
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010977338	0	35	-1.0	-48.24	338.74	5.46	-42.78
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977339	0	36	-1.0	-37.00	352.43	6.23	-30.77
CCCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977339	1	35	-2.0	-121.08	343.61	6.58	-114.50
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010977340	0	41	-1.0	-55.45	355.07	5.08	-50.37
CCCC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010977341	0	40	-1.0	-50.14	364.64	4.74	-45.40
CCCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010977342	0	41	-1.0	-55.32	347.34	4.35	-50.97
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010977343	0	42	-1.0	-44.22	371.13	4.42	-39.80
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010977344	0	38	-1.0	-53.30	343.74	4.21	-49.09
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010977345	0	37	-1.0	-47.06	342.61	5.63	-41.43
CCCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010977346	0	45	-1.0	-55.70	389.63	1.66	-54.04
CCCC[C@@H](NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300010977347	0	46	-1.0	-55.09	413.09	7.59	-47.50
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010977348	0	38	-1.0	-61.21	340.53	5.73	-55.48
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010977349	0	40	-1.0	-63.97	340.01	3.60	-60.37
CCCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010977350	0	39	-1.0	-59.69	355.11	0.16	-59.53
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010977351	0	40	-1.0	-51.37	359.15	5.29	-46.08
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl)C(=O)[O-]	REAL300010977352	0	42	-1.0	-48.17	375.44	6.49	-41.68
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010977353	0	38	-1.0	-52.02	341.82	4.53	-47.49
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010977354	0	40	-1.0	-55.58	336.67	4.03	-51.55
CCCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010977355	0	40	-1.0	-50.87	348.38	5.75	-45.12
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977356	0	34	-1.0	-49.27	326.45	5.60	-43.67
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010977357	0	40	-1.0	-47.71	327.37	6.07	-41.64
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010977358	0	34	-1.0	-52.30	329.27	5.72	-46.58
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010977359	0	44	-1.0	-58.57	377.55	1.67	-56.90
CCCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010977360	0	35	-2.0	-124.80	341.63	6.12	-118.68
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010977360	1	36	-1.0	-37.67	346.72	5.81	-31.86
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010977361	0	32	-1.0	-51.67	311.23	4.13	-47.54
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010977362	0	36	-1.0	-46.15	344.69	5.69	-40.46
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010977362	1	35	-2.0	-118.41	337.91	6.00	-112.41
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010977363	0	34	-1.0	-49.48	324.81	5.85	-43.63
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010977363	1	33	-2.0	-123.00	321.76	6.24	-116.76
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010977364	0	35	-1.0	-55.95	323.68	2.94	-53.01
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300010977365	0	37	-1.0	-52.88	323.11	2.01	-50.87
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010977366	0	34	-1.0	-44.99	325.50	5.29	-39.70
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010977367	0	44	-1.0	-53.94	380.33	5.28	-48.66
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010977368	0	34	-1.0	-49.14	329.08	5.73	-43.41
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010977369	0	37	-1.0	-57.36	338.61	5.77	-51.59
CCCC[C@@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010977370	0	37	-1.0	-57.12	344.06	2.08	-55.04
CCCC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010977370	1	36	-2.0	-97.31	340.75	0.96	-96.35
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010977371	0	37	-1.0	-57.26	343.17	5.88	-51.38
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010977372	0	38	-1.0	-55.96	349.75	1.83	-54.13
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OCC)C(=O)[O-]	REAL300010977373	0	43	-1.0	-61.14	360.18	6.87	-54.27
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010977374	0	42	-1.0	-55.68	354.29	3.03	-52.65
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010977375	0	38	-1.0	-55.69	354.31	1.93	-53.76
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300010977376	0	41	-1.0	-53.67	349.63	4.79	-48.88
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010977377	0	45	-1.0	-59.35	374.85	5.73	-53.62
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010977378	0	38	-1.0	-48.14	354.92	5.75	-42.39
CCCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010977379	0	43	-1.0	-57.30	364.17	3.09	-54.21
CCCC[C@@H](NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300010977380	0	43	-1.0	-55.63	365.03	6.72	-48.91
CCCC[C@@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010977381	0	41	-1.0	-57.26	368.30	5.11	-52.15
CCCC[C@@H](NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010977382	0	38	-1.0	-51.46	327.94	1.77	-49.69
CCCC[C@@H](NS(=O)(=O)N(CC)CC(C)C#N)C(=O)[O-]	REAL300010977383	0	42	-1.0	-54.08	345.71	4.31	-49.77
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010977384	0	37	-1.0	-54.97	325.48	3.25	-51.72
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010977385	0	35	-1.0	-54.10	334.53	5.24	-48.86
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010977386	0	35	-1.0	-54.80	336.41	5.34	-49.46
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010977387	0	40	-1.0	-50.83	349.17	6.38	-44.45
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010977388	0	40	-1.0	-62.68	357.94	6.06	-56.62
CCCC[C@@H](NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010977389	0	48	-1.0	-56.92	406.84	1.86	-55.06
CCCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010977390	0	44	-1.0	-48.05	385.35	1.94	-46.11
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010977391	0	33	-2.0	-135.23	312.16	5.80	-129.43
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010977391	1	34	-1.0	-53.19	317.15	5.32	-47.87
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010977392	0	51	-1.0	-63.42	411.45	6.54	-56.88
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977393	0	43	-1.0	-55.30	383.20	6.02	-49.28
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010977394	0	44	-1.0	-50.61	391.76	6.23	-44.38
CCCC[C@@H](NS(=O)(=O)C1=CC(CCC)=CC=C1Cl)C(=O)[O-]	REAL300010977395	0	43	-1.0	-43.19	376.83	7.40	-35.79
CCCC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010977396	0	43	-1.0	-42.62	369.63	7.03	-35.59
CCCC[C@@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010977397	0	41	-1.0	-63.27	336.39	3.50	-59.77
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010977398	0	44	-1.0	-63.34	378.59	3.52	-59.82
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010977399	0	34	-1.0	-42.35	321.50	5.21	-37.14
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010977399	1	33	-2.0	-133.08	312.04	5.54	-127.54
CCCC[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010977400	0	47	-1.0	-58.96	399.14	6.10	-52.86
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010977401	0	43	-1.0	-41.56	393.94	6.66	-34.90
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010977401	1	42	-2.0	-125.83	384.44	6.99	-118.84
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010977402	0	36	-1.0	-56.37	342.35	6.29	-50.08
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010977402	1	35	-2.0	-129.00	339.31	6.70	-122.30
CCCC[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010977403	0	43	-1.0	-65.96	359.25	1.72	-64.24
CCCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010977404	0	41	-2.0	-130.27	357.70	6.23	-124.04
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010977405	0	45	-1.0	-54.95	393.66	4.38	-50.57
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300010977406	0	46	-1.0	-52.94	396.41	6.73	-46.21
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010977407	0	48	-1.0	-59.03	409.80	2.76	-56.27
CCCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010977408	0	45	-1.0	-49.80	382.72	4.11	-45.69
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300010977409	0	47	-1.0	-47.40	401.17	6.03	-41.37
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977410	0	46	-1.0	-51.38	390.94	6.68	-44.70
CCCC[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010977411	0	37	-1.0	-53.43	334.40	5.91	-47.52
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300010977412	0	46	-1.0	-59.68	397.32	6.91	-52.77
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977413	0	40	-1.0	-55.47	369.77	7.20	-48.27
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977413	1	39	-2.0	-135.29	363.24	7.64	-127.65
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977414	0	37	-1.0	-54.76	332.37	5.80	-48.96
CCCC[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010977415	0	50	-1.0	-56.69	398.68	5.94	-50.75
CCCC[C@@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010977416	0	39	-1.0	-55.27	346.90	3.78	-51.49
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010977417	0	40	-1.0	-54.79	360.35	6.55	-48.24
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300010977418	0	43	-1.0	-45.72	381.49	6.26	-39.46
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010977419	0	44	-1.0	-54.34	372.48	7.98	-46.36
CCCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300010977420	0	48	-1.0	-54.85	417.39	2.36	-52.49
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010977421	0	37	-1.0	-55.28	338.60	5.83	-49.45
CCCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300010977422	0	46	-1.0	-52.70	401.29	5.77	-46.93
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010977423	0	40	-1.0	-60.95	368.76	2.50	-58.45
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010977424	0	38	-1.0	-57.98	344.53	5.47	-52.51
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010977425	0	37	-1.0	-52.76	330.43	5.43	-47.33
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010977426	0	36	-1.0	-48.83	322.94	3.97	-44.86
CCCC[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010977427	0	37	-1.0	-56.39	337.11	3.90	-52.49
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010977427	1	36	-2.0	-144.86	332.36	4.37	-140.49
CCCC[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977428	0	35	-1.0	-51.18	321.68	3.41	-47.77
CCCC[C@@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300010977429	0	42	-1.0	-53.14	347.28	4.46	-48.68
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010977430	0	47	-1.0	-54.23	392.20	5.44	-48.79
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010977431	0	37	-2.0	-107.64	344.20	4.22	-103.42
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010977431	1	38	-1.0	-54.67	346.56	3.37	-51.30
CCCC[C@@H](NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	REAL300010977432	0	43	-1.0	-64.45	358.36	5.69	-58.76
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010977433	0	35	-1.0	-37.43	343.14	5.55	-31.88
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010977433	1	34	-2.0	-121.64	335.78	5.91	-115.73
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010977434	0	45	-1.0	-57.71	396.55	3.97	-53.74
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010977435	0	49	-1.0	-51.62	411.19	7.39	-44.23
CCCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300010977436	0	46	-1.0	-57.21	401.91	3.78	-53.43
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010977437	0	39	-1.0	-56.42	344.63	1.76	-54.66
CCCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010977438	0	46	-1.0	-61.78	372.10	5.61	-56.17
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010977439	0	33	-1.0	-46.30	329.64	3.75	-42.55
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010977440	0	41	-1.0	-51.77	370.09	4.80	-46.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010977441	0	40	-1.0	-49.79	352.95	6.06	-43.73
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010977442	0	45	-1.0	-52.55	403.90	7.92	-44.63
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010977443	0	43	-1.0	-59.93	375.48	5.99	-53.94
CCCC[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010977444	0	36	-1.0	-58.76	329.78	4.11	-54.65
CCCC[C@@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010977445	0	44	-1.0	-57.17	347.05	5.92	-51.25
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010977446	0	40	-1.0	-57.38	359.71	6.47	-50.91
CCCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010977447	0	43	-1.0	-61.33	360.76	4.92	-56.41
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010977448	0	34	-1.0	-51.08	331.81	4.77	-46.31
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010977449	0	38	-1.0	-55.66	346.80	5.53	-50.13
CCCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977450	0	47	-1.0	-54.76	408.13	4.93	-49.83
CCCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977451	0	50	-1.0	-54.42	429.99	5.86	-48.56
CCCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010977452	0	49	-1.0	-64.38	384.56	6.29	-58.09
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010977453	0	42	-1.0	-49.55	364.56	3.91	-45.64
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010977454	0	38	-1.0	-45.16	350.70	4.49	-40.67
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977455	0	43	-1.0	-54.49	391.64	6.66	-47.83
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010977456	0	35	-1.0	-48.81	324.95	5.00	-43.81
CCCC[C@@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010977457	0	44	-1.0	-57.41	355.54	3.83	-53.58
CCCC[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010977458	0	50	-1.0	-63.55	431.46	6.40	-57.15
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300010977459	0	37	-1.0	-55.22	329.14	5.22	-50.00
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010977460	0	36	-1.0	-47.02	345.60	4.31	-42.71
CCCC[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010977461	0	47	-1.0	-56.91	355.79	6.54	-50.37
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010977462	0	43	-1.0	-56.70	363.31	6.14	-50.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010977463	0	35	-1.0	-58.59	325.03	3.99	-54.60
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010977464	0	40	-1.0	-59.46	356.29	6.17	-53.29
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010977465	0	37	-1.0	-52.07	332.83	3.38	-48.69
CCCC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010977465	1	36	-2.0	-129.03	330.36	3.75	-125.28
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977466	0	36	-1.0	-49.87	335.58	6.61	-43.26
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977466	1	35	-2.0	-124.41	332.07	7.08	-117.33
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010977467	0	43	-1.0	-52.93	373.70	5.74	-47.19
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010977468	0	42	-1.0	-54.02	374.93	5.93	-48.09
CCCC[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010977469	0	43	-1.0	-53.56	351.52	5.72	-47.84
CCCC[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010977470	0	44	-1.0	-54.43	377.40	5.33	-49.10
CCCC[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010977471	0	61	-1.0	-53.53	456.40	10.30	-43.23
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010977472	0	39	-1.0	-56.86	352.70	5.78	-51.08
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010977473	0	46	-1.0	-58.72	398.55	6.86	-51.86
CCCC[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010977474	0	39	-1.0	-58.12	334.70	4.16	-53.96
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977475	0	41	-1.0	-52.19	366.73	4.84	-47.35
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010977476	0	41	-1.0	-53.41	347.51	6.67	-46.74
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010977477	0	46	-1.0	-54.07	383.57	6.30	-47.77
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010977478	0	42	-1.0	-53.60	358.78	5.53	-48.07
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010977479	0	37	-1.0	-53.10	335.90	5.04	-48.06
CCCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010977479	1	36	-2.0	-127.48	326.01	5.43	-122.05
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010977480	0	37	-1.0	-54.05	350.15	6.66	-47.39
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010977480	1	36	-2.0	-134.71	341.13	6.99	-127.72
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010977481	0	37	-1.0	-57.21	349.13	5.91	-51.30
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010977482	0	43	-1.0	-69.72	382.57	2.78	-66.94
CCCC[C@@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010977483	0	37	-1.0	-57.86	327.20	4.93	-52.93
CCCC[C@@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010977484	0	46	-1.0	-55.67	364.41	6.22	-49.45
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010977485	0	43	-1.0	-54.89	365.75	7.47	-47.42
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010977486	0	31	-1.0	-54.55	294.47	3.39	-51.16
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010977486	1	30	-2.0	-133.43	299.73	4.38	-129.05
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010977487	0	43	-1.0	-55.16	379.01	6.46	-48.70
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010977488	0	49	-1.0	-58.59	419.85	5.12	-53.47
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010977489	0	47	-1.0	-60.69	394.24	4.92	-55.77
CCCC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010977490	0	37	-1.0	-58.68	340.91	5.73	-52.95
CCCC[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010977491	0	40	-1.0	-48.74	347.68	6.89	-41.85
CCCC[C@@H](NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300010977492	0	52	-1.0	-52.56	393.07	9.05	-43.51
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010977493	0	39	-1.0	-53.91	334.31	4.40	-49.51
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010977494	0	41	-1.0	-55.75	354.52	4.30	-51.45
CCCC[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010977495	0	36	-1.0	-50.16	346.71	4.46	-45.70
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010977496	0	42	-1.0	-57.97	372.18	4.30	-53.67
CCCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010977497	0	42	-1.0	-48.16	369.47	3.12	-45.04
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010977498	0	39	-1.0	-56.82	352.47	-0.47	-57.29
CCCC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010977499	0	45	-1.0	-62.90	371.61	1.66	-61.24
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010977500	0	38	-1.0	-50.46	343.80	4.42	-46.04
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010977501	0	37	-1.0	-54.09	335.76	2.14	-51.95
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010977502	0	47	-1.0	-58.99	392.37	5.73	-53.26
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010977503	0	39	-1.0	-49.30	335.61	4.46	-44.84
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010977504	0	43	-1.0	-56.32	370.31	7.60	-48.72
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010977505	0	38	-1.0	-42.87	340.83	4.76	-38.11
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010977506	0	38	-1.0	-42.79	351.16	5.21	-37.58
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010977507	0	43	-1.0	-55.91	380.90	6.04	-49.87
CCCC[C@@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010977508	0	47	-1.0	-57.80	387.68	5.94	-51.86
CCCC[C@@H](NS(=O)(=O)CC(CC(C)C)OC)C(=O)[O-]	REAL300010977509	0	46	-1.0	-56.20	370.25	4.40	-51.80
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010977510	0	38	-1.0	-43.34	331.06	4.48	-38.86
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010977511	0	37	-1.0	-53.26	356.90	6.31	-46.95
CCCC[C@@H](NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010977512	0	44	-1.0	-57.78	360.16	3.87	-53.91
CCCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010977513	0	37	-1.0	-54.37	355.31	6.35	-48.02
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010977514	0	37	-1.0	-51.82	338.10	3.64	-48.18
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977515	0	42	-1.0	-59.14	360.80	6.40	-52.74
CCCC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010977516	0	50	-1.0	-46.29	400.83	6.74	-39.55
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010977517	0	41	-1.0	-61.30	364.15	6.43	-54.87
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300010977518	0	38	-1.0	-53.86	327.75	3.86	-50.00
CCCC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010977519	0	37	-1.0	-48.32	341.79	1.76	-46.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1F)C(=O)[O-]	REAL300010977520	0	43	-1.0	-50.88	381.01	6.21	-44.67
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977521	0	43	-1.0	-51.04	392.11	6.22	-44.82
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010977522	0	37	-1.0	-55.47	338.61	5.78	-49.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010977523	0	37	-1.0	-50.58	333.75	5.66	-44.92
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010977524	0	40	-1.0	-64.83	346.36	5.54	-59.29
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010977525	0	43	-1.0	-54.25	384.48	6.04	-48.21
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977526	0	40	-1.0	-46.72	374.53	5.82	-40.90
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977526	1	39	-2.0	-132.21	364.97	6.13	-126.08
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010977527	0	43	-1.0	-58.85	379.46	5.93	-52.92
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010977528	0	41	-1.0	-53.34	349.60	4.79	-48.55
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010977529	0	40	-1.0	-55.45	356.01	6.34	-49.11
CCCC[C@@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010977530	0	47	-1.0	-56.36	376.80	4.61	-51.75
CCCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010977531	0	49	-1.0	-47.93	412.95	2.37	-45.56
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010977532	0	42	-1.0	-58.65	347.90	5.75	-52.90
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010977533	0	41	-1.0	-61.09	363.39	2.43	-58.66
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010977534	0	34	-1.0	-51.02	320.87	5.13	-45.89
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010977535	0	34	-1.0	-50.95	318.89	4.30	-46.65
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010977536	0	43	-1.0	-50.98	360.96	4.98	-46.00
CCCC[C@@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010977537	0	44	-1.0	-52.46	369.96	3.48	-48.98
CCCC[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010977538	0	40	-1.0	-55.17	349.79	6.12	-49.05
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010977539	0	40	-1.0	-58.43	348.96	6.09	-52.34
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010977540	0	40	-1.0	-57.63	356.20	6.39	-51.24
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010977541	0	38	-1.0	-53.03	353.49	5.10	-47.93
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010977542	0	49	-1.0	-68.85	402.67	3.54	-65.31
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010977543	0	45	-1.0	-58.83	388.82	5.04	-53.79
CCCC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010977544	0	41	-1.0	-55.13	373.43	7.20	-47.93
CCCC[C@@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300010977545	0	43	-1.0	-54.11	348.94	2.73	-51.38
CCCC[C@@H](NS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010977546	0	45	-1.0	-53.99	363.20	2.29	-51.70
CCCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010977547	0	37	-1.0	-54.44	344.99	5.91	-48.53
CCCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010977548	0	37	-1.0	-55.22	341.75	5.80	-49.42
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010977549	0	34	-1.0	-48.63	336.31	5.69	-42.94
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010977550	0	41	-1.0	-59.56	354.43	1.98	-57.58
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])C=C1	REAL300010977551	0	59	-1.0	-52.77	478.59	9.50	-43.27
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010977552	0	49	-1.0	-55.06	408.12	6.91	-48.15
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010977553	0	34	-1.0	-50.75	325.29	5.23	-45.52
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010977554	0	40	-1.0	-55.22	357.57	5.25	-49.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010977555	0	48	-1.0	-57.06	406.66	7.61	-49.45
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010977556	0	48	-1.0	-56.15	415.75	7.92	-48.23
CCCC[C@@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010977557	0	33	-1.0	-58.73	306.47	3.86	-54.87
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010977557	1	32	-2.0	-138.78	304.27	3.65	-135.13
CCCC[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010977558	0	46	-1.0	-59.19	388.36	4.48	-54.71
CCCC[C@@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010977559	0	44	-1.0	-62.08	369.09	5.87	-56.21
CCCC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010977560	0	46	-1.0	-54.75	382.42	5.98	-48.77
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010977561	0	40	-1.0	-57.76	344.79	3.51	-54.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010977562	0	42	-1.0	-52.45	380.15	3.46	-48.99
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010977563	0	46	-1.0	-55.46	387.65	7.37	-48.09
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010977564	0	45	-1.0	-54.42	384.21	3.73	-50.69
CCCC[C@@H](NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300010977565	0	44	-1.0	-57.70	362.17	4.85	-52.85
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977566	0	40	-1.0	-46.47	364.21	5.37	-41.10
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010977566	1	39	-2.0	-133.00	356.58	5.63	-127.37
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010977567	0	45	-1.0	-54.74	388.05	6.13	-48.61
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300010977568	0	47	-1.0	-53.72	388.55	6.20	-47.52
CCCC[C@@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010977569	0	47	-1.0	-55.20	375.51	4.85	-50.35
CCCC[C@@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010977570	0	50	-1.0	-53.16	388.75	5.35	-47.81
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010977571	0	37	-1.0	-51.58	339.13	4.08	-47.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010977572	0	53	-1.0	-53.51	429.73	7.62	-45.89
CCCC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010977573	0	37	-1.0	-64.47	348.95	4.42	-60.05
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010977574	0	38	-1.0	-53.47	333.01	4.53	-48.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010977575	0	42	-1.0	-50.38	358.97	6.92	-43.46
CCCC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010977576	0	41	-1.0	-50.83	342.84	4.32	-46.51
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010977577	0	47	-1.0	-50.40	401.59	6.85	-43.55
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010977578	0	40	-1.0	-53.71	357.16	3.98	-49.73
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010977578	1	39	-2.0	-125.54	349.18	4.28	-121.26
CCCC[C@@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300010977579	0	47	-1.0	-63.04	398.42	6.53	-56.51
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010977580	0	45	-1.0	-62.81	382.06	5.07	-57.74
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010977581	0	37	-1.0	-47.44	340.89	3.20	-44.24
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010977582	0	45	-1.0	-56.57	398.85	8.65	-47.92
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010977583	0	37	-1.0	-51.47	336.57	5.86	-45.61
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010977584	0	44	-1.0	-58.49	363.33	7.90	-50.59
CCCC[C@@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010977585	0	40	-1.0	-57.17	360.24	6.48	-50.69
CCCC[C@@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010977586	0	41	-1.0	-59.01	366.99	5.19	-53.82
CCCC[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010977587	0	40	-1.0	-57.81	354.01	6.11	-51.70
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010977588	0	37	-1.0	-52.20	330.64	5.35	-46.85
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010977589	0	33	-1.0	-48.29	320.83	3.24	-45.05
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010977589	1	32	-2.0	-124.22	311.79	3.63	-120.59
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010977590	0	43	-1.0	-49.54	362.98	3.60	-45.94
CCCC[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010977591	0	40	-1.0	-60.77	359.43	3.08	-57.69
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010977592	0	41	-1.0	-59.47	373.78	3.86	-55.61
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010977593	0	36	-2.0	-141.42	323.18	4.09	-137.33
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010977593	1	37	-1.0	-60.15	329.82	3.97	-56.18
CCCC[C@@H](NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300010977594	0	47	-1.0	-55.72	381.67	6.16	-49.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010977595	0	40	-1.0	-49.65	369.46	6.44	-43.21
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010977596	0	42	-1.0	-58.45	366.88	5.60	-52.85
CCCC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977597	0	35	-2.0	-148.98	318.19	3.62	-145.36
CCCC[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977597	1	36	-1.0	-64.17	324.39	3.63	-60.54
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010977598	0	37	-1.0	-51.33	345.70	6.28	-45.05
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010977599	0	43	-1.0	-59.71	348.31	7.64	-52.07
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010977600	0	41	-1.0	-51.44	367.79	4.60	-46.84
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010977601	0	38	-1.0	-61.53	327.58	5.81	-55.72
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010977602	0	43	-1.0	-53.97	369.70	4.30	-49.67
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010977603	0	39	-1.0	-58.96	342.32	2.99	-55.97
CCCC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010977604	0	43	-1.0	-52.51	379.51	5.94	-46.57
CCCC[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010977605	0	34	-1.0	-51.02	309.97	2.03	-48.99
CCCC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010977605	1	33	-2.0	-124.00	305.46	2.50	-121.50
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010977606	0	39	-1.0	-47.36	350.60	5.93	-41.43
CCCC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010977607	0	40	-1.0	-55.00	347.78	5.55	-49.45
CCCC[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010977608	0	46	0.0	-79.78	367.62	5.50	-74.28
CCCC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010977609	0	51	0.0	-80.35	399.92	3.77	-76.58
CCCC[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010977609	1	50	-1.0	-56.77	397.24	1.38	-55.39
CCCC[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010977610	0	34	-1.0	-51.94	320.09	2.67	-49.27
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010977611	0	38	-1.0	-60.46	333.56	5.63	-54.83
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010977612	0	43	-1.0	-51.23	367.47	3.10	-48.13
CCCC[C@@H](NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300010977613	0	46	-1.0	-52.59	386.21	5.18	-47.41
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010977614	0	44	-1.0	-55.61	385.95	5.10	-50.51
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977615	0	44	-1.0	-62.73	368.40	5.23	-57.50
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010977616	0	38	-1.0	-52.19	332.40	4.69	-47.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010977617	0	50	-1.0	-54.26	408.47	6.79	-47.47
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010977618	0	46	-1.0	-50.10	376.50	6.82	-43.28
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010977619	0	35	-1.0	-50.94	325.54	5.01	-45.93
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010977620	0	37	-1.0	-53.42	342.01	5.77	-47.65
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010977621	0	53	-1.0	-56.44	423.74	9.07	-47.37
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010977622	0	38	-1.0	-55.93	332.52	4.52	-51.41
CCCC[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010977623	0	31	-1.0	-58.47	296.60	2.84	-55.63
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010977623	1	30	-2.0	-133.17	289.17	2.94	-130.23
CCCC[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010977624	0	42	-1.0	-59.86	366.73	5.40	-54.46
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010977625	0	33	-1.0	-47.98	321.58	3.71	-44.27
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010977625	1	32	-2.0	-122.30	314.86	4.17	-118.13
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010977626	0	33	-1.0	-48.40	316.25	3.17	-45.23
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010977626	1	32	-2.0	-123.93	307.19	3.56	-120.37
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010977627	0	33	-1.0	-48.26	305.52	2.69	-45.57
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010977627	1	32	-2.0	-122.37	296.74	3.07	-119.30
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010977628	0	37	-1.0	-51.99	346.07	2.45	-49.54
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010977629	0	39	-1.0	-53.06	353.69	5.41	-47.65
CCCC[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010977630	0	36	-1.0	-50.29	337.98	4.44	-45.85
CCCC[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010977631	0	44	-1.0	-46.91	389.80	5.50	-41.41
CCCC[C@@H](NS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	REAL300010977632	0	38	-1.0	-75.27	330.95	1.91	-73.36
CCCC[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010977633	0	37	-1.0	-52.20	340.10	5.36	-46.84
CCCC[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010977634	0	33	-1.0	-57.58	326.61	2.89	-54.69
CCCC[C@@H](NS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010977635	0	40	-1.0	-75.12	344.21	2.22	-72.90
CCCC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010977636	0	36	-1.0	-54.32	329.96	5.83	-48.49
CCCC[C@@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010977637	0	42	-1.0	-56.52	347.08	3.76	-52.76
CCCC[C@@H](NS(=O)(=O)C1CC(=O)N(CC)C1)C(=O)[O-]	REAL300010977638	0	41	-1.0	-60.16	344.58	3.12	-57.04
CCCC[C@@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	REAL300010977639	0	43	-1.0	-53.39	343.65	4.73	-48.66
CCCC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010977640	0	45	-1.0	-61.77	383.05	1.15	-60.62
CCCC[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010977641	0	35	-1.0	-48.45	344.32	3.69	-44.76
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010977642	0	43	-1.0	-59.23	376.93	5.91	-53.32
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010977643	0	36	-2.0	-136.26	342.90	5.89	-130.37
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010977643	1	37	-1.0	-53.52	344.76	5.66	-47.86
CCCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010977644	0	37	-1.0	-51.36	327.66	3.21	-48.15
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010977644	1	36	-2.0	-127.06	324.87	3.54	-123.52
CCCC[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010977645	0	44	-1.0	-50.51	355.85	4.55	-45.96
CCCC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010977646	0	31	-1.0	-40.37	308.17	4.18	-36.19
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010977647	0	46	-1.0	-56.21	360.47	4.46	-51.75
CCCC[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010977648	0	44	-1.0	-54.10	366.76	4.90	-49.20
CCCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010977649	0	37	-1.0	-45.17	328.70	3.36	-41.81
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010977650	0	34	-1.0	-45.63	321.98	2.76	-42.87
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010977651	0	36	-1.0	-49.13	333.46	3.63	-45.50
CCCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010977652	0	41	-1.0	-57.90	356.45	4.70	-53.20
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010977653	0	48	-1.0	-51.84	404.17	5.80	-46.04
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010977654	0	34	-2.0	-108.95	311.90	3.27	-105.68
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010977654	1	35	-1.0	-54.68	314.23	2.43	-52.25
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])C=C1	REAL300010977655	0	44	-1.0	-53.71	375.69	7.33	-46.38
CCCC[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977656	0	37	-1.0	-65.72	328.64	2.27	-63.45
CCCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977656	1	36	-2.0	-150.73	324.03	2.25	-148.48
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010977657	0	37	-1.0	-51.42	345.95	6.27	-45.15
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300010977658	0	40	-1.0	-52.96	341.70	3.53	-49.43
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010977659	0	39	-1.0	-60.38	344.04	5.05	-55.33
CCCC[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010977660	0	43	-1.0	-74.65	363.61	2.63	-72.02
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])C=C1C(C)C	REAL300010977661	0	56	-1.0	-52.14	451.45	8.38	-43.76
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1C#N)C(=O)[O-]	REAL300010977662	0	38	-1.0	-56.29	336.31	5.40	-50.89
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC=C1C#N)C(=O)[O-]	REAL300010977663	0	38	-1.0	-66.65	329.18	5.71	-60.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010977664	0	37	-1.0	-54.45	337.44	5.52	-48.93
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010977665	0	45	-1.0	-44.51	384.94	5.23	-39.28
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010977666	0	38	-1.0	-52.79	348.36	6.29	-46.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300010977667	0	56	-1.0	-53.87	442.27	8.26	-45.61
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300010977668	0	50	-1.0	-53.48	413.06	7.06	-46.42
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010977669	0	41	-1.0	-59.22	362.24	6.51	-52.71
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010977670	0	40	-1.0	-47.93	337.74	6.50	-41.43
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010977671	0	48	-1.0	-71.60	396.65	4.31	-67.29
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010977672	0	37	-1.0	-54.55	353.52	6.27	-48.28
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010977673	0	37	-1.0	-55.07	344.64	5.83	-49.24
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010977674	0	44	-1.0	-62.10	380.24	6.47	-55.63
CCCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010977675	0	40	-1.0	-54.88	357.75	6.51	-48.37
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010977676	0	36	-1.0	-44.36	325.84	3.88	-40.48
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010977677	0	38	-1.0	-55.90	343.30	4.66	-51.24
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010977677	1	37	-2.0	-143.12	340.68	5.11	-138.01
CCCC[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010977678	0	44	-1.0	-56.10	372.94	6.85	-49.25
CCCC[C@@H](NS(=O)(=O)CCC(C)(C)C1CC1)C(=O)[O-]	REAL300010977679	0	46	-1.0	-55.39	362.39	6.00	-49.39
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OCC)C=NN1C)C(=O)[O-]	REAL300010977680	0	43	-1.0	-58.10	366.65	4.44	-53.66
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010977681	0	38	-1.0	-53.95	345.63	6.22	-47.73
CCCC[C@@H](NS(=O)(=O)CCCC(C)(F)F)C(=O)[O-]	REAL300010977682	0	39	-1.0	-60.08	337.82	4.70	-55.38
CCCC[C@@H](NS(=O)(=O)CCCC1=CC=CC=C1)C(=O)[O-]	REAL300010977683	0	43	-1.0	-57.32	364.87	6.83	-50.49
CCCC[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010977684	0	39	-1.0	-58.30	329.83	1.61	-56.69
CCCC[C@@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010977685	0	38	-1.0	-59.60	337.39	0.07	-59.53
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300010977686	0	43	-1.0	-55.58	348.06	7.02	-48.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010977687	0	46	-1.0	-57.91	403.98	6.20	-51.71
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010977688	0	47	-1.0	-57.78	396.18	5.23	-52.55
CCCC[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010977689	0	43	-1.0	-60.95	360.24	5.27	-55.68
CCCC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010977690	0	34	-1.0	-51.72	308.57	4.62	-47.10
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010977691	0	39	-1.0	-59.04	345.77	3.78	-55.26
CCCC[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010977692	0	40	-1.0	-54.90	349.79	6.12	-48.78
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010977693	0	50	-1.0	-55.31	409.48	7.28	-48.03
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010977694	0	39	-1.0	-56.54	332.77	4.98	-51.56
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010977695	0	54	-1.0	-60.45	425.03	6.99	-53.46
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010977696	0	41	-1.0	-60.53	360.56	4.77	-55.76
CCCC[C@@H](NS(=O)(=O)C1=C(C#N)SC=C1)C(=O)[O-]	REAL300010977697	0	32	-1.0	-54.70	307.66	3.85	-50.85
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010977698	0	48	-1.0	-54.11	393.84	4.64	-49.47
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010977699	0	49	-1.0	-65.13	409.16	7.19	-57.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300010977700	0	48	-1.0	-75.15	399.30	6.49	-68.66
CCCC[C@@H](NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300010977701	0	37	-1.0	-55.32	324.32	1.81	-53.51
CCCC[C@@H](NS(=O)(=O)N1CCC(CC)CC1)C(=O)[O-]	REAL300010977702	0	45	-1.0	-52.73	343.62	4.57	-48.16
CCCC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010977703	0	41	-2.0	-99.29	329.09	3.75	-95.54
CCCC[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010977704	0	41	-1.0	-54.49	349.01	4.26	-50.23
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010977705	0	41	-1.0	-49.29	342.42	4.30	-44.99
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300010977706	0	44	-1.0	-49.21	365.11	5.11	-44.10
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C2=CC=CC=C21)C(=O)[O-]	REAL300010977707	0	46	-1.0	-53.21	387.48	7.36	-45.85
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1OCC)C(=O)[O-]	REAL300010977708	0	47	-1.0	-47.72	401.16	6.03	-41.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)OC)C(=O)[O-]	REAL300010977709	0	44	-1.0	-58.61	368.60	5.25	-53.36
CCCC[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300010977710	0	45	-1.0	-57.95	367.88	2.70	-55.25
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300010977711	0	40	-1.0	-52.99	366.20	5.49	-47.50
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1)C(=O)[O-]	REAL300010977712	0	40	-1.0	-52.95	348.97	1.80	-51.15
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010977713	0	30	-2.0	-129.80	293.93	3.56	-126.24
CCCC[C@@H](NS(=O)(=O)C1=C(Br)C=CO1)C(=O)[O-]	REAL300010977713	1	31	-1.0	-53.54	298.42	3.25	-50.29
CCCC[C@@H](NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300010977714	0	41	-1.0	-54.81	332.89	4.14	-50.67
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C(F)=C1)C(=O)[O-]	REAL300010977715	0	38	-1.0	-48.30	344.15	4.11	-44.19
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C=C1F)C(=O)[O-]	REAL300010977716	0	38	-1.0	-53.10	339.99	4.00	-49.10
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])C=C1C(C)C	REAL300010977717	0	59	-1.0	-51.92	472.70	9.18	-42.74
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300010977718	0	50	-1.0	-57.30	390.76	6.02	-51.28
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300010977719	0	44	-1.0	-43.34	370.85	6.03	-37.31
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300010977720	0	37	-1.0	-51.82	317.37	5.11	-46.71
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300010977721	0	42	-1.0	-59.29	355.77	5.22	-54.07
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300010977722	0	42	-1.0	-51.17	367.82	4.26	-46.91
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1)C(=O)[O-]	REAL300010977723	0	42	-1.0	-55.61	366.50	6.78	-48.83
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010977724	0	38	-1.0	-55.51	333.56	5.16	-50.35
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(F)=C1OC)C(=O)[O-]	REAL300010977724	1	37	-2.0	-135.04	326.29	5.38	-129.66
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300010977725	0	37	-1.0	-53.98	340.18	5.86	-48.12
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(C)C=C1Br)C(=O)[O-]	REAL300010977726	0	37	-1.0	-54.05	342.67	6.54	-47.51
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(CC)=C1)C(=O)[O-]	REAL300010977727	0	39	-1.0	-51.55	336.47	4.15	-47.40
CCCC[C@@H](NS(=O)(=O)C1=CC=NC(C(=O)OC)=C1)C(=O)[O-]	REAL300010977728	0	39	-1.0	-50.53	349.31	3.41	-47.12
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CCC2C)C(=O)[O-]	REAL300010977729	0	51	-1.0	-72.01	408.49	6.64	-65.37
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300010977730	0	40	-1.0	-57.62	348.33	5.08	-52.54
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N(C(C)=O)CC2C)C(=O)[O-]	REAL300010977731	0	48	-1.0	-64.13	397.67	6.17	-57.96
CCCC[C@@H](NS(=O)(=O)C1=CSC=C1Cl)C(=O)[O-]	REAL300010977732	0	31	-1.0	-41.03	304.78	4.05	-36.98
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=NN1C)C(=O)[O-]	REAL300010977733	0	34	-1.0	-47.56	320.18	2.75	-44.81
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977734	0	36	-1.0	-48.38	332.44	3.69	-44.69
CCCC[C@@H](NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300010977735	0	39	-1.0	-62.57	336.54	4.11	-58.46
CCCC[C@@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300010977736	0	43	-1.0	-53.38	342.48	4.49	-48.89
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300010977737	0	38	-1.0	-52.98	353.52	5.13	-47.85
CCCC[C@@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010977738	0	35	-1.0	-49.99	313.24	3.32	-46.67
CCCC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12)C(=O)[O-]	REAL300010977739	0	37	-1.0	-65.03	344.39	4.31	-60.72
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300010977740	0	37	-1.0	-55.86	337.94	6.01	-49.85
CCCC[C@@H](NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300010977741	0	41	-1.0	-48.08	346.87	4.25	-43.83
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300010977742	0	43	-1.0	-50.05	350.05	6.75	-43.30
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300010977743	0	42	-1.0	-54.81	355.14	4.48	-50.33
CCCC[C@@H](NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1)C(=O)[O-]	REAL300010977744	0	43	-1.0	-63.71	366.59	1.77	-61.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1)C(=O)[O-]	REAL300010977745	0	35	-1.0	-52.52	338.81	5.45	-47.07
CCCC[C@@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010977746	0	37	-1.0	-53.49	328.72	4.84	-48.65
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC(OC)=C1OC)C(=O)[O-]	REAL300010977747	0	42	-1.0	-58.63	356.33	4.85	-53.78
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010977748	0	36	-2.0	-121.02	350.38	4.29	-116.73
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Br)O1)C(=O)[O-]	REAL300010977748	1	37	-1.0	-50.91	358.36	3.97	-46.94
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300010977749	0	47	-1.0	-53.49	377.45	5.16	-48.33
CCCC[C@@H](NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21)C(=O)[O-]	REAL300010977750	0	38	-1.0	-54.94	347.46	6.42	-48.52
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300010977751	0	41	-1.0	-54.03	354.25	4.36	-49.67
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F)C(=O)[O-]	REAL300010977752	0	36	-2.0	-103.71	333.30	5.24	-98.47
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300010977753	0	38	-1.0	-53.73	337.74	4.12	-49.61
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21)C(=O)[O-]	REAL300010977754	0	38	-1.0	-55.24	354.00	5.13	-50.11
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010977755	0	37	-1.0	-58.53	326.29	3.74	-54.79
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2)C(=O)[O-]	REAL300010977755	1	36	-2.0	-142.05	319.25	4.03	-138.02
CCCC[C@@H](NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300010977756	0	39	-1.0	-54.13	341.82	2.94	-51.19
CCCC[C@@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300010977757	0	37	-1.0	-53.49	328.72	4.84	-48.65
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300010977758	0	34	-2.0	-105.91	338.36	4.17	-101.74
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300010977759	0	40	-1.0	-54.68	349.50	6.42	-48.26
CCCC[C@@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300010977760	0	45	-1.0	-53.69	352.90	4.91	-48.78
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300010977761	0	40	-1.0	-49.74	367.58	5.71	-44.03
CCCC[C@@H](NS(=O)(=O)C1=C2C=COC2=C(F)C=C1)C(=O)[O-]	REAL300010977762	0	37	-1.0	-52.99	331.31	4.92	-48.07
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300010977763	0	44	-1.0	-53.50	367.14	4.77	-48.73
CCCC[C@@H](NS(=O)(=O)NCCC1=CC=CC=C1)C(=O)[O-]	REAL300010977764	0	42	-1.0	-52.88	356.63	4.48	-48.40
CCCC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300010977765	0	52	-1.0	-58.50	399.45	7.84	-50.66
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300010977766	0	40	-1.0	-50.50	369.49	6.44	-44.06
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)SC=C1)C(=O)[O-]	REAL300010977767	0	31	-1.0	-40.55	305.15	4.16	-36.39
CCCC[C@@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300010977768	0	44	-1.0	-51.57	373.19	5.20	-46.37
CCCC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300010977769	0	38	-1.0	-56.08	336.02	5.77	-50.31
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300010977770	0	45	-1.0	-57.55	396.92	7.45	-50.10
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1)C(=O)[O-]	REAL300010977771	0	47	-1.0	-60.45	388.30	2.95	-57.50
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300010977772	0	43	-1.0	-72.19	362.06	5.94	-66.25
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300010977773	0	43	-1.0	-53.98	362.91	6.76	-47.22
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=NN1C)C(=O)[O-]	REAL300010977774	0	40	-1.0	-52.21	354.31	2.98	-49.23
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C#N)C(=O)[O-]	REAL300010977775	0	35	-1.0	-55.25	321.34	4.80	-50.45
CCCC[C@@H](NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300010977776	0	41	-1.0	-51.35	343.18	4.01	-47.34
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977777	0	38	-1.0	-47.51	354.73	5.91	-41.60
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C(=O)OC)C=C2C=C1)C(=O)[O-]	REAL300010977778	0	46	-1.0	-55.71	399.14	7.46	-48.25
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300010977779	0	43	-1.0	-50.11	341.06	4.41	-45.70
CCCC[C@@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300010977780	0	43	-1.0	-51.75	363.46	4.29	-47.46
CCCC[C@@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300010977781	0	41	-1.0	-52.06	342.78	3.45	-48.61
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010977782	0	39	-1.0	-47.12	349.26	4.38	-42.74
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977783	0	37	-1.0	-48.91	343.75	5.64	-43.27
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CF)C=C1)C(=O)[O-]	REAL300010977784	0	37	-1.0	-54.45	326.25	5.38	-49.07
CCCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)SC=C1)C(=O)[O-]	REAL300010977785	0	34	-1.0	-52.24	315.18	4.93	-47.31
CCCC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010977786	0	34	-1.0	-48.11	330.49	4.67	-43.44
CCCC[C@@H](NS(=O)(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300010977787	0	39	-1.0	-50.69	316.97	3.46	-47.23
CCCC[C@@H](NS(=O)(=O)C1=CC=C(CNC(C)=O)C=C1)C(=O)[O-]	REAL300010977788	0	44	-1.0	-57.15	380.67	3.58	-53.57
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977789	0	31	-1.0	-52.73	304.11	3.32	-49.41
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010977789	1	30	-2.0	-124.96	296.12	3.63	-121.33
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300010977790	0	37	-1.0	-47.04	350.18	5.99	-41.05
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)F)C(=O)[O-]	REAL300010977791	0	37	-1.0	-53.73	314.77	5.73	-48.00
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300010977792	0	45	-1.0	-58.59	383.10	6.58	-52.01
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300010977793	0	45	-1.0	-55.88	367.81	7.66	-48.22
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C)C(=O)[O-]	REAL300010977794	0	44	-1.0	-63.86	378.47	6.24	-57.62
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300010977795	0	40	-1.0	-51.46	361.59	5.63	-45.83
CCCC[C@@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010977796	0	40	-1.0	-52.49	339.70	4.95	-47.54
CCCC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F)C(=O)[O-]	REAL300010977797	0	39	-1.0	-42.20	355.19	5.12	-37.08
CCCC[C@@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300010977798	0	41	-1.0	-61.94	351.19	2.92	-59.02
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1Cl)C(=O)[O-]	REAL300010977799	0	34	-1.0	-39.49	330.67	5.74	-33.75
CCCC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300010977800	0	34	-1.0	-52.41	312.30	4.75	-47.66
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300010977801	0	41	-1.0	-53.61	347.75	6.66	-46.95
CCCC[C@@H](NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300010977802	0	35	-1.0	-43.40	318.92	3.07	-40.33
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977803	0	37	-1.0	-54.47	322.35	5.39	-49.08
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)S1)C(=O)[O-]	REAL300010977804	0	40	-1.0	-50.62	363.90	4.91	-45.71
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1F)C(=O)[O-]	REAL300010977805	0	41	-1.0	-45.19	351.89	6.76	-38.43
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300010977806	0	44	-1.0	-49.47	363.85	5.19	-44.28
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300010977807	0	43	-1.0	-49.77	357.90	4.42	-45.35
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010977808	0	43	-1.0	-62.13	369.47	2.08	-60.05
CCCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300010977809	0	37	-1.0	-58.61	353.21	1.07	-57.54
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)NC)C=C1)C(=O)[O-]	REAL300010977810	0	43	-1.0	-62.13	369.47	2.08	-60.05
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=CS1)C(=O)[O-]	REAL300010977811	0	35	-1.0	-54.15	323.35	4.94	-49.21
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977812	0	37	-1.0	-58.95	315.96	5.32	-53.63
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC)C(=O)[O-]	REAL300010977813	0	46	-1.0	-62.44	384.84	8.22	-54.22
CCCC[C@@H](NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300010977814	0	48	-1.0	-54.90	359.26	5.13	-49.77
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010977815	0	34	-1.0	-52.95	323.58	3.83	-49.12
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1)C(=O)[O-]	REAL300010977815	1	33	-2.0	-121.32	313.67	4.18	-117.14
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(F)C=C1OC)C(=O)[O-]	REAL300010977816	0	38	-1.0	-53.38	339.18	4.55	-48.83
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300010977817	0	48	-1.0	-52.87	386.36	3.42	-49.45
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300010977818	0	40	-1.0	-52.25	351.74	6.08	-46.17
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300010977819	0	38	-1.0	-53.35	337.75	4.12	-49.23
CCCC[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010977820	0	49	-1.0	-54.21	393.92	7.18	-47.03
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300010977821	0	35	-1.0	-52.90	323.01	3.02	-49.88
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300010977822	0	45	-1.0	-61.72	365.09	6.65	-55.07
CCCC[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300010977823	0	42	-1.0	-53.71	353.70	4.66	-49.05
CCCC[C@@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300010977824	0	37	-1.0	-54.70	332.03	3.25	-51.45
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300010977825	0	44	-1.0	-55.09	375.45	5.24	-49.85
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977826	0	43	-1.0	-59.14	372.80	6.54	-52.60
CCCC[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300010977827	0	44	-1.0	-50.82	378.69	5.77	-45.05
CCCC[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300010977828	0	47	-1.0	-53.71	385.48	5.52	-48.19
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300010977829	0	45	-1.0	-52.12	386.91	7.42	-44.70
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300010977830	0	37	-1.0	-57.22	315.98	5.55	-51.67
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OCC)C(=O)[O-]	REAL300010977831	0	46	-1.0	-60.66	384.17	7.23	-53.43
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300010977832	0	40	-1.0	-50.90	356.22	6.29	-44.61
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010977833	0	39	-1.0	-52.53	357.60	6.00	-46.53
CCCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl)C(=O)[O-]	REAL300010977833	1	38	-2.0	-132.37	354.53	6.38	-125.99
CCCC[C@@H](NS(=O)(=O)CC1=C(Cl)SC=N1)C(=O)[O-]	REAL300010977834	0	33	-1.0	-57.96	322.36	2.79	-55.17
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C#N)=C1F)C(=O)[O-]	REAL300010977835	0	35	-1.0	-46.56	325.17	5.04	-41.52
CCCC[C@@H](NS(=O)(=O)CC1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300010977836	0	38	-1.0	-58.76	337.32	4.01	-54.75
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1[O-])C(=O)[O-]	REAL300010977837	0	34	-2.0	-108.95	311.90	3.27	-105.68
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1O)C(=O)[O-]	REAL300010977837	1	35	-1.0	-54.68	314.23	2.43	-52.25
CCCC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010977838	0	40	-1.0	-49.62	370.51	6.11	-43.51
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1)C(=O)[O-]	REAL300010977838	1	39	-2.0	-131.70	368.62	6.13	-125.57
CCCC[C@@H](NS(=O)(=O)C1=CN=C(F)C(Cl)=C1)C(=O)[O-]	REAL300010977839	0	33	-1.0	-46.21	315.96	3.21	-43.00
CCCC[C@@H](NS(=O)(=O)CCOC1(C#N)CCOCC1)C(=O)[O-]	REAL300010977840	0	46	-1.0	-59.19	382.49	2.26	-56.93
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)N(CC)N=C1)C(=O)[O-]	REAL300010977841	0	37	-1.0	-52.15	338.96	3.44	-48.71
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010977842	0	38	-1.0	-53.83	349.64	6.31	-47.52
CCCC[C@@H](NS(=O)(=O)C1=CC2=C(SC(C(=O)OC)=C2)S1)C(=O)[O-]	REAL300010977843	0	40	-1.0	-51.98	384.16	5.80	-46.18
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300010977844	0	33	-2.0	-131.79	319.63	5.85	-125.94
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977845	0	36	-1.0	-47.87	340.16	3.87	-44.00
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977845	1	35	-2.0	-122.94	332.76	4.17	-118.77
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010977846	0	39	-1.0	-61.42	356.18	5.77	-55.65
CCCC[C@@H](NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21)C(=O)[O-]	REAL300010977847	0	39	-1.0	-57.34	349.92	5.48	-51.86
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977848	0	36	-1.0	-47.87	340.16	3.87	-44.00
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F)C(=O)[O-]	REAL300010977848	1	35	-2.0	-122.94	332.76	4.17	-118.77
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300010977849	0	43	-1.0	-57.66	355.30	7.37	-50.29
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010977850	0	38	-1.0	-56.52	348.61	5.59	-50.93
CCCC[C@@H]([N-]S(=O)(=O)C1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300010977850	1	37	-2.0	-140.07	341.67	5.75	-134.32
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCCF)C=C1)C(=O)[O-]	REAL300010977851	0	41	-1.0	-55.91	356.18	4.94	-50.97
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010977852	0	48	-1.0	-52.91	402.65	6.03	-46.88
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010977853	0	34	-1.0	-48.25	326.33	5.17	-43.08
CCCC[C@@H]([N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F)C(=O)[O-]	REAL300010977853	1	33	-2.0	-123.90	317.33	5.56	-118.34
CCCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C(=O)[O-]	REAL300010977854	0	40	-1.0	-61.21	363.35	0.89	-60.32
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010977855	0	44	-1.0	-55.09	368.05	5.84	-49.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1)C(=O)[O-]	REAL300010977856	0	40	-1.0	-55.67	369.68	1.96	-53.71
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010977857	0	38	-1.0	-53.46	338.04	5.85	-47.61
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010977858	0	38	-1.0	-52.80	352.92	6.38	-46.42
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300010977859	0	38	-1.0	-52.53	352.67	6.42	-46.11
CCCC[C@@H](NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300010977860	0	39	-1.0	-62.46	341.31	-1.50	-63.96
CCCC[C@@H](NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300010977861	0	37	-1.0	-57.16	315.18	4.48	-52.68
CCCC[C@@H](NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300010977862	0	40	-1.0	-37.87	329.85	4.97	-32.90
CCCC[C@@H](NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300010977863	0	36	-1.0	-53.09	329.40	3.94	-49.15
CCCC[C@@H](NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300010977864	0	42	-1.0	-54.16	353.16	1.73	-52.43
CCCC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010977865	0	43	-1.0	-59.98	371.32	4.16	-55.82
CCCC[C@@H]([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300010977865	1	42	-2.0	-144.86	365.97	4.08	-140.78
CCCC[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300010977866	0	51	-1.0	-57.17	375.12	7.43	-49.74
CCCC[C@@H](NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300010977867	0	44	-1.0	-58.70	358.52	4.02	-54.68
CCCC[C@@H](NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300010977868	0	37	-1.0	-63.75	329.34	0.21	-63.54
CCCC[C@@H](NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300010977869	0	42	-1.0	-54.03	337.36	4.99	-49.04
CCCC[C@@H](NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300010977870	0	42	-1.0	-65.20	368.60	1.37	-63.83
CCCC[C@@H](NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300010977871	0	47	-1.0	-57.56	372.62	4.89	-52.67
CCCC[C@@H](NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)OCC)=N1)C(=O)[O-]	REAL300010977872	0	46	-1.0	-62.19	398.57	6.56	-55.63
CCCC[C@@H](NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300010977873	0	44	-1.0	-55.46	368.89	6.83	-48.63
CCCC[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010977874	0	38	-1.0	-58.78	346.34	3.57	-55.21
CCCC[C@@H](NS(=O)(=O)C1=C2C=CC(C(=O)OC)=CN2C=N1)C(=O)[O-]	REAL300010977875	0	43	-1.0	-61.36	379.10	6.72	-54.64
CCCC[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300010977876	0	44	-1.0	-57.14	380.06	7.41	-49.73
CCCC[C@@H](NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300010977877	0	43	-1.0	-60.04	350.57	2.00	-58.04
CCCC[C@@H](NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)OCC)C(=O)[O-]	REAL300010977878	0	43	-1.0	-62.74	371.07	5.43	-57.31
CCCC[C@@H](NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300010977879	0	47	-1.0	-55.88	365.94	6.53	-49.35
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300010977880	0	38	-1.0	-54.45	342.78	5.91	-48.54
CCCC[C@@H](NS(=O)(=O)N1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010977881	0	45	-1.0	-62.20	347.53	4.86	-57.34
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300010977882	0	56	-1.0	-55.31	428.20	8.73	-46.58
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010977883	0	37	-1.0	-57.02	343.93	5.36	-51.66
CCCC[C@@H](NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010977884	0	45	-1.0	-54.47	371.66	5.56	-48.91
CCCC[C@@H](NS(=O)(=O)NCC1=CC=CC(C)=C1)C(=O)[O-]	REAL300010977885	0	42	-1.0	-52.35	356.29	4.40	-47.95
CCCC[C@@H](NS(=O)(=O)C1=NNC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977886	0	40	-1.0	-53.74	356.70	2.50	-51.24
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=N[N-]1)C(=O)[O-]	REAL300010977886	1	39	-2.0	-100.99	353.05	2.36	-98.63
CCCC[C@@H](NS(=O)(=O)C1=N[N-]C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010977886	1	39	-2.0	-101.10	353.27	2.35	-98.75
CCCC[C@@H](NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300010977887	0	39	-1.0	-54.50	349.38	3.13	-51.37
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010977888	0	36	-2.0	-120.12	346.30	4.18	-115.94
CCCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(Cl)O1)C(=O)[O-]	REAL300010977888	1	37	-1.0	-50.95	354.29	3.87	-47.08
CCCC[C@@H](NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300010977889	0	46	-1.0	-53.90	357.61	4.95	-48.95
CCCC[C@@H](NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300010977890	0	45	-1.0	-53.28	377.89	6.41	-46.87
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010977891	0	38	-1.0	-54.95	347.76	5.74	-49.21
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300010977891	1	37	-2.0	-135.52	342.40	5.92	-129.60
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300010977892	0	38	-1.0	-53.23	347.27	5.42	-47.81
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010977893	0	38	-1.0	-55.89	335.07	4.08	-51.81
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300010977893	1	37	-2.0	-138.98	329.72	4.46	-134.52
CCCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300010977894	0	38	-1.0	-56.68	343.95	4.19	-52.49
CCCC[C@@H](NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300010977895	0	40	-1.0	-52.13	341.39	4.54	-47.59
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300010977896	0	37	-1.0	-53.22	324.23	5.95	-47.27
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300010977897	0	43	-1.0	-52.01	377.11	5.04	-46.97
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010977898	0	31	-1.0	-47.04	324.06	4.69	-42.35
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1)C(=O)[O-]	REAL300010977898	1	30	-2.0	-119.92	314.89	5.07	-114.85
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)N(C)N=C1)C(=O)[O-]	REAL300010977899	0	34	-1.0	-52.24	317.29	2.58	-49.66
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010977900	0	47	-1.0	-52.24	386.84	6.83	-45.41
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=C2C(=C1)C(C)(C)C(=O)N2C)C(=O)[O-]	REAL300010977901	0	51	-1.0	-53.89	416.69	6.48	-47.41
CCCC[C@@H](NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C(=O)[O-]	REAL300010977902	0	37	-1.0	-52.51	353.35	5.92	-46.59
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1)C(=O)[O-]	REAL300010977903	0	39	-1.0	-53.20	351.14	5.21	-47.99
CCCC[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC)C(=O)[O-]	REAL300010977904	0	42	-1.0	-57.40	346.80	3.62	-53.78
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010977905	0	45	-1.0	-57.78	388.89	7.45	-50.33
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300010977906	0	40	-1.0	-65.85	328.18	5.74	-60.11
CCCC[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977907	0	37	-1.0	-65.72	328.64	2.27	-63.45
CCCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010977907	1	36	-2.0	-150.73	324.03	2.25	-148.48
CCCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1)C(=O)[O-]	REAL300010977908	0	39	-1.0	-52.14	353.45	3.12	-49.02
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300010977909	0	35	-1.0	-52.35	340.49	3.42	-48.93
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C=C1C)C(=O)[O-]	REAL300010977910	0	36	-1.0	-51.73	322.78	4.00	-47.73
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](CCCC)C(=O)[O-])=C1	REAL300010977911	0	45	-1.0	-54.07	381.86	6.16	-47.91
CCCC[C@@H](NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300010977912	0	44	-1.0	-53.85	367.89	5.11	-48.74
CCCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300010977913	0	38	-1.0	-63.75	332.46	3.79	-59.96
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300010977914	0	40	-1.0	-52.70	360.85	7.34	-45.36
CCCC[C@@H](NS(=O)(=O)N1CCC(OC(C)=O)C1)C(=O)[O-]	REAL300010977915	0	42	-1.0	-54.37	356.73	3.70	-50.67
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010977916	0	44	-1.0	-52.80	389.44	8.48	-44.32
CCCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC(Cl)=C1)C(=O)[O-]	REAL300010977917	0	37	-1.0	-55.02	351.31	5.49	-49.53
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300010977918	0	40	-1.0	-50.23	357.32	6.44	-43.79
CCCC[C@@H](NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300010977919	0	47	-1.0	-49.96	385.97	5.77	-44.19
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300010977920	0	31	-1.0	-49.70	307.85	4.11	-45.59
CCCC[C@@H](NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300010977921	0	48	-1.0	-45.49	401.22	4.92	-40.57
CCCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300010977922	0	40	-1.0	-46.48	358.15	7.48	-39.00
CCCC[C@@H](NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300010977923	0	42	-1.0	-50.50	347.04	2.19	-48.31
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300010977924	0	41	-1.0	-56.63	338.93	6.68	-49.95
CCCC[C@@H](NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300010977925	0	45	-1.0	-52.53	338.57	4.19	-48.34
CCCC[C@@H](NS(=O)(=O)N1CCC(CO)CC1)C(=O)[O-]	REAL300010977926	0	43	-1.0	-54.93	348.03	1.03	-53.90
CCCC[C@@H](NS(=O)(=O)N1C[C@H](OC(C)=O)C[C@H]1C(=O)OC)C(=O)[O-]	REAL300010977927	0	48	-1.0	-64.48	405.37	5.20	-59.28
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300010977928	0	49	-1.0	-52.87	400.12	4.95	-47.92
CCCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300010977929	0	37	-1.0	-52.15	341.51	2.33	-49.82
CCCC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300010977930	0	40	-1.0	-50.01	345.65	1.99	-48.02
CCCC[C@@H](NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300010977931	0	43	-1.0	-55.36	362.29	4.69	-50.67
CCCC[C@@H](NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300010977932	0	43	-1.0	-52.57	362.13	4.18	-48.39
CCCC[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300010977933	0	33	-1.0	-54.05	322.39	2.94	-51.11
CCCC[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300010977934	0	44	-1.0	-54.15	352.23	2.03	-52.12
CCCC[C@@H](NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300010977935	0	40	-1.0	-57.03	352.71	2.42	-54.61
CCCC[C@@H](NS(=O)(=O)C1=C(C#N)C=CS1)C(=O)[O-]	REAL300010977936	0	32	-1.0	-55.18	308.17	3.96	-51.22
CCCC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010977937	0	37	-1.0	-64.47	348.95	4.42	-60.05
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010977938	0	31	-2.0	-130.87	302.84	2.79	-128.08
CCCC[C@@H](NS(=O)(=O)C1=NC=C(Br)C=N1)C(=O)[O-]	REAL300010977938	1	32	-1.0	-52.45	312.39	2.39	-50.06
CCCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)S1)C(=O)[O-]	REAL300010977939	0	38	-1.0	-64.78	347.70	2.59	-62.19
CCCC[C@@H](NS(=O)(=O)C1=C(C)SC(C)=C1C)C(=O)[O-]	REAL300010977940	0	40	-1.0	-50.49	336.33	5.83	-44.66
CCCC[C@@H](NS(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010977941	0	33	-1.0	-59.15	302.82	3.72	-55.43
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Cl)C(=O)[O-]	REAL300010977941	1	32	-2.0	-140.03	300.61	3.53	-136.50
CCCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300010977942	0	38	-1.0	-43.90	348.94	5.01	-38.89
CCCC[C@@H](NS(=O)(=O)C1=CN=CC=C1OC)C(=O)[O-]	REAL300010977943	0	37	-1.0	-44.63	320.19	2.54	-42.09
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1)C(=O)[O-]	REAL300010977944	0	36	-1.0	-54.80	329.66	4.09	-50.71
CCCC[C@@H](NS(=O)(=O)C1=CC=NC(OC)=C1Cl)C(=O)[O-]	REAL300010977945	0	37	-1.0	-50.03	337.07	1.79	-48.24
CCCC[C@@H](NS(=O)(=O)C1=C(C)N=C(NC(=O)CC)S1)C(=O)[O-]	REAL300010977946	0	43	-1.0	-56.55	380.04	3.68	-52.87
CCCC[C@@H](NS(=O)(=O)C1=C(C)N=C([N-]C(=O)CC)S1)C(=O)[O-]	REAL300010977946	1	42	-2.0	-98.89	377.77	2.53	-96.36
CCCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1NC(C)=O)C(=O)[O-]	REAL300010977947	0	41	-1.0	-57.17	360.92	2.50	-54.67
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010977948	0	38	-1.0	-51.83	362.59	6.71	-45.12
CCCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977949	0	39	-1.0	-55.46	346.51	6.54	-48.92
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010977950	0	32	-2.0	-137.17	311.67	3.73	-133.44
CCCC[C@@H](NS(=O)(=O)C1=NC=CC(Br)=C1F)C(=O)[O-]	REAL300010977950	1	33	-1.0	-55.68	320.33	3.47	-52.21
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300010977951	0	45	-1.0	-53.29	370.87	4.93	-48.36
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300010977952	0	40	-1.0	-49.51	339.36	3.82	-45.69
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300010977953	0	42	-1.0	-55.12	352.91	5.75	-49.37
CCCC[C@@H](NS(=O)(=O)C1=CN=C(C(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010977954	0	42	-1.0	-49.08	365.11	3.94	-45.14
CCCC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010977955	0	37	-1.0	-58.55	333.69	6.44	-52.11
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300010977956	0	41	-1.0	-49.41	348.10	4.77	-44.64
CCCC[C@@H](NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300010977957	0	41	-1.0	-51.05	354.34	5.83	-45.22
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300010977958	0	36	-1.0	-54.25	328.55	3.55	-50.70
CCCC[C@@H](NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300010977959	0	39	-1.0	-63.47	332.77	4.96	-58.51
CCCC[C@@H](NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300010977960	0	43	-1.0	-57.36	361.43	4.25	-53.11
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1)C(=O)[O-]	REAL300010977961	0	41	-1.0	-53.65	358.10	6.75	-46.90
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(C(F)F)=C1)C(=O)[O-]	REAL300010977962	0	36	-1.0	-51.74	325.88	3.56	-48.18
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010977963	0	34	-1.0	-50.67	315.23	5.06	-45.61
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C2=C1CCCN2)C(=O)[O-]	REAL300010977964	0	46	-1.0	-55.87	362.27	5.29	-50.58
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300010977965	0	48	-1.0	-52.48	407.34	8.12	-44.36
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010977966	0	41	-1.0	-55.21	359.75	6.80	-48.41
CCCC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010977967	0	31	-1.0	-40.37	308.17	4.18	-36.19
CCCC[C@@H](NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300010977968	0	38	-1.0	-53.24	349.11	5.02	-48.22
CCCC[C@@H](NS(=O)(=O)C1=CN=C(Br)C=C1C)C(=O)[O-]	REAL300010977969	0	36	-1.0	-51.77	327.37	4.08	-47.69
CCCC[C@@H](NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300010977970	0	39	-1.0	-61.33	331.20	5.46	-55.87
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1CC(=O)OC)C(=O)[O-]	REAL300010977971	0	43	-1.0	-60.56	362.30	6.31	-54.25
CCCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300010977972	0	45	-1.0	-54.60	382.70	8.66	-45.94
CCCC[C@@H](NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300010977973	0	39	-1.0	-57.69	326.23	4.59	-53.10
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)F)=CC=C1F)C(=O)[O-]	REAL300010977974	0	37	-1.0	-48.11	338.94	5.61	-42.50
CCCC[C@@H](NS(=O)(=O)C1=CN=CC(Br)=C1)C(=O)[O-]	REAL300010977975	0	33	-1.0	-48.94	314.62	3.37	-45.57
CCCC[C@@H](NS(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977976	0	36	-1.0	-60.25	317.74	4.41	-55.84
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010977976	1	35	-2.0	-141.13	315.09	4.20	-136.93
CCCC[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300010977977	0	37	-1.0	-51.09	320.20	3.86	-47.23
CCCC[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010977978	0	42	-1.0	-61.28	349.94	0.19	-61.09
CCCC[C@@H](NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300010977979	0	41	-1.0	-52.19	329.60	2.62	-49.57
CCCC[C@@H](NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300010977980	0	40	-1.0	-55.76	325.56	3.62	-52.14
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(C)=N1)C(=O)[O-]	REAL300010977981	0	36	-1.0	-53.77	326.05	4.07	-49.70
CCCC[C@@H]([N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010977982	0	32	-2.0	-125.62	319.79	4.25	-121.37
CCCC[C@@H](NS(=O)(=O)C1=NC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010977982	1	33	-1.0	-52.70	327.47	4.01	-48.69
CCCC[C@@H](NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1)C(=O)[O-]	REAL300010977983	0	38	-1.0	-59.68	347.23	3.83	-55.85
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010977984	0	38	-1.0	-53.46	338.04	5.85	-47.61
CCCC[C@@H](NS(=O)(=O)C=CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010977985	0	38	-1.0	-52.68	348.11	6.31	-46.37
CCCC[C@@H](NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1)C(=O)[O-]	REAL300010977986	0	43	-1.0	-60.82	378.63	4.13	-56.69
CCCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300010977987	0	37	-1.0	-57.58	320.33	2.41	-55.17
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F)C(=O)[O-]	REAL300010977988	0	41	-1.0	-60.63	351.01	6.80	-53.83
CCCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(Cl)=C1Cl)C(=O)[O-]	REAL300010977989	0	37	-1.0	-51.32	343.37	6.11	-45.21
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300010977990	0	38	-1.0	-49.24	350.13	4.43	-44.81
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300010977991	0	41	-1.0	-61.32	340.43	4.51	-56.81
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010977992	0	47	-1.0	-56.80	402.20	6.19	-50.61
CCCC[C@@H](NS(=O)(=O)C1=CC=C2CC(C(=O)OC)CC2=C1)C(=O)[O-]	REAL300010977993	0	47	-1.0	-58.55	397.56	7.10	-51.45
CCCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300010977994	0	37	-1.0	-53.54	323.89	1.91	-51.63
CCCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300010977995	0	40	-1.0	-42.83	364.35	2.82	-40.01
CCCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977996	0	40	-1.0	-53.65	361.58	6.50	-47.15
CCCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010977996	1	39	-2.0	-134.38	359.50	7.02	-127.36
CCCC[C@@H](NS(=O)(=O)C1=CN=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977997	0	39	-1.0	-58.81	334.70	4.18	-54.63
CCCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977998	0	40	-1.0	-65.68	344.65	6.17	-59.51
CCCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1C(=O)OC)C(=O)[O-]	REAL300010977998	1	39	-2.0	-152.49	339.15	6.63	-145.86
CCCC[C@@H](NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300010977999	0	39	-1.0	-53.50	333.29	4.92	-48.58
CCCC[C@@H](NS(=O)(=O)C1=CC=CC=C1I)C(=O)[O-]	REAL300010978000	0	34	-1.0	-53.56	316.49	5.69	-47.87
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010978598	0	41	-1.0	-44.43	345.66	4.79	-39.64
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010978599	0	41	-1.0	-46.82	363.65	5.16	-41.66
CCCC[C@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010978600	0	46	-1.0	-64.60	363.48	6.02	-58.58
CCCC[C@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010978601	0	49	-1.0	-47.24	391.68	5.66	-41.58
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010978602	0	42	-1.0	-42.80	369.15	6.73	-36.07
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010978603	0	41	-1.0	-48.61	355.64	3.52	-45.09
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010978604	0	42	-1.0	-42.74	356.00	6.64	-36.10
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010978605	0	39	-1.0	-43.70	343.83	5.72	-37.98
CCCC[C@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010978606	0	34	-1.0	-40.69	327.07	5.72	-34.97
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978607	0	36	-1.0	-49.36	316.63	6.10	-43.26
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010978608	0	31	-1.0	-43.98	303.68	3.35	-40.63
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010978608	1	30	-2.0	-127.68	296.13	3.64	-124.04
CCCC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010978609	0	44	-1.0	-43.47	353.00	5.50	-37.97
CCCC[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300010978610	0	46	-1.0	-41.67	347.71	6.09	-35.58
CCCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978611	0	36	-1.0	-41.52	327.16	5.32	-36.20
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010978612	0	38	-1.0	-43.67	350.10	4.55	-39.12
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978613	0	44	-1.0	-51.41	382.33	5.66	-45.75
CCCC[C@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010978614	0	47	-1.0	-50.19	409.46	5.67	-44.52
CCCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300010978615	0	41	-1.0	-45.66	360.19	2.36	-43.30
CCCC[C@H](NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300010978616	0	36	-1.0	-41.93	327.05	3.20	-38.73
CCCC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010978617	0	46	-1.0	-46.27	383.49	6.09	-40.18
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010978618	0	34	-1.0	-44.03	309.67	5.28	-38.75
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010978618	1	33	-2.0	-140.77	307.84	5.68	-135.09
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010978619	0	36	-1.0	-45.76	328.82	3.93	-41.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010978620	0	39	-1.0	-40.12	331.79	4.81	-35.31
CCCC[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010978621	0	41	-1.0	-43.85	347.49	6.19	-37.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010978622	0	38	-1.0	-44.59	354.52	6.09	-38.50
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010978623	0	36	-1.0	-39.78	336.34	4.98	-34.80
CCCC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010978624	0	44	-1.0	-44.73	377.59	1.09	-43.64
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010978625	0	37	-1.0	-41.88	340.14	2.59	-39.29
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300010978626	0	39	-1.0	-44.05	341.69	5.15	-38.90
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010978627	0	43	-1.0	-46.07	372.98	5.55	-40.52
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010978628	0	49	-1.0	-45.20	410.79	5.03	-40.17
CCCC[C@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978629	0	33	-1.0	-39.26	320.48	4.38	-34.88
CCCC[C@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010978630	0	52	0.0	-65.53	415.37	5.84	-59.69
CCCC[C@H](NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300010978631	0	43	-1.0	-42.65	361.18	6.70	-35.95
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010978632	0	40	-1.0	-41.50	345.02	5.97	-35.53
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010978633	0	37	-1.0	-39.80	332.64	6.08	-33.72
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010978634	0	38	-1.0	-54.05	338.07	4.68	-49.37
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010978635	0	34	-1.0	-43.44	313.53	4.90	-38.54
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010978636	0	42	-1.0	-50.48	352.14	5.19	-45.29
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010978637	0	43	-1.0	-48.20	359.89	6.06	-42.14
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC=C1F)C(=O)[O-]	REAL300010978638	0	37	-1.0	-44.52	312.00	5.42	-39.10
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010978639	0	48	-1.0	-42.55	403.19	5.67	-36.88
CCCC[C@H](NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300010978640	0	38	-1.0	-49.86	325.03	4.00	-45.86
CCCC[C@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010978641	0	35	-1.0	-40.12	332.92	5.58	-34.54
CCCC[C@H](NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300010978642	0	36	-1.0	-47.00	328.21	2.98	-44.02
CCCC[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010978643	0	37	-1.0	-47.54	343.26	3.68	-43.86
CCCC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010978644	0	45	-1.0	-43.95	381.67	5.43	-38.52
CCCC[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010978645	0	39	-1.0	-45.58	343.65	3.75	-41.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010978646	0	42	-1.0	-45.41	366.47	2.84	-42.57
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978648	0	37	-1.0	-39.42	355.09	6.17	-33.25
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300010978649	0	45	-1.0	-41.52	346.93	2.53	-38.99
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978650	0	40	-1.0	-40.11	360.51	5.41	-34.70
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978651	0	44	-1.0	-44.42	390.03	3.97	-40.45
CCCC[C@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010978652	0	44	-1.0	-43.94	372.63	5.39	-38.55
CCCC[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010978653	0	37	-1.0	-47.90	337.22	3.52	-44.38
CCCC[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010978654	0	45	-1.0	-43.88	377.88	5.93	-37.95
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010978655	0	42	-1.0	-50.90	340.32	6.16	-44.74
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010978656	0	37	-1.0	-46.53	333.46	5.55	-40.98
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010978657	0	37	-1.0	-42.11	329.54	5.26	-36.85
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010978658	0	37	-1.0	-40.88	339.74	5.86	-35.02
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010978659	0	38	-1.0	-44.34	329.55	5.58	-38.76
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010978660	0	45	-1.0	-51.12	374.49	4.99	-46.13
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010978661	0	46	-1.0	-48.86	386.44	5.00	-43.86
CCCC[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010978662	0	42	-1.0	-47.51	368.74	5.91	-41.60
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978663	0	44	-1.0	-44.42	390.03	3.97	-40.45
CCCC[C@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010978664	0	42	-1.0	-46.36	350.81	5.01	-41.35
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010978665	0	37	-1.0	-40.33	344.13	5.86	-34.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010978666	0	44	-1.0	-44.68	364.07	5.37	-39.31
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010978667	0	40	-1.0	-47.25	354.22	5.86	-41.39
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010978668	0	38	-1.0	-41.89	332.76	3.95	-37.94
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010978669	0	45	-1.0	-43.47	362.68	5.46	-38.01
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010978670	0	48	-1.0	-44.67	413.94	5.88	-38.79
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300010978671	0	43	-1.0	-43.51	348.68	6.58	-36.93
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010978672	0	48	-1.0	-41.65	396.48	7.91	-33.74
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978673	0	42	-1.0	-43.01	365.40	6.65	-36.36
CCCC[C@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010978674	0	46	0.0	-60.46	377.72	6.53	-53.93
CCCC[C@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010978675	0	42	-1.0	-45.37	349.54	5.01	-40.36
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300010978676	0	49	-1.0	-45.17	422.99	7.30	-37.87
CCCC[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300010978677	0	37	-1.0	-42.73	333.35	5.17	-37.56
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300010978678	0	46	-1.0	-45.35	387.47	7.02	-38.33
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010978679	0	34	-1.0	-47.42	331.30	5.62	-41.80
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010978679	1	33	-2.0	-122.30	325.00	6.07	-116.23
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010978680	0	34	-1.0	-40.16	326.02	4.82	-35.34
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010978681	0	40	-1.0	-46.01	344.64	5.12	-40.89
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010978682	0	38	-1.0	-47.31	320.26	3.56	-43.75
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978683	0	42	-1.0	-49.99	357.75	7.97	-42.02
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010978684	0	40	-1.0	-43.09	360.32	6.42	-36.67
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010978685	0	44	-1.0	-37.75	379.03	7.29	-30.46
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010978686	0	37	-1.0	-37.36	333.63	5.85	-31.51
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010978687	0	39	-1.0	-49.94	340.48	4.98	-44.96
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010978688	0	40	-1.0	-46.45	347.21	6.00	-40.45
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010978689	0	42	-1.0	-41.86	352.65	6.54	-35.32
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010978690	0	34	-1.0	-42.91	329.76	5.80	-37.11
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010978691	0	44	-1.0	-37.75	379.03	7.29	-30.46
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010978692	0	33	-1.0	-38.33	314.80	3.28	-35.05
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010978693	0	34	-1.0	-40.53	335.43	5.71	-34.82
CCCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010978694	0	45	-1.0	-46.66	395.80	4.45	-42.21
CCCC[C@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010978695	0	33	-2.0	-129.38	310.90	5.35	-124.03
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010978696	0	44	-1.0	-46.83	355.43	6.12	-40.71
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300010978697	0	37	-1.0	-44.08	326.46	1.31	-42.77
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(C)=C1)C(=O)[O-]	REAL300010978698	0	38	-1.0	-39.51	337.02	5.47	-34.04
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010978699	0	40	-1.0	-44.68	356.36	5.27	-39.41
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010978700	0	38	-1.0	-40.46	326.13	5.23	-35.23
CCCC[C@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978701	0	35	-1.0	-43.90	326.79	3.40	-40.50
CCCC[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010978702	0	47	-1.0	-42.36	383.46	7.84	-34.52
CCCC[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010978703	0	45	-1.0	-44.62	379.75	5.32	-39.30
CCCC[C@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010978704	0	51	-1.0	-54.58	394.90	11.05	-43.53
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010978705	0	48	-1.0	-46.91	393.37	6.83	-40.08
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010978706	0	41	-1.0	-43.57	337.62	4.67	-38.90
CCCC[C@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978707	0	39	-1.0	-43.86	348.90	3.51	-40.35
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010978708	0	35	-1.0	-39.99	339.80	5.51	-34.48
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978709	0	36	-1.0	-36.05	347.53	6.10	-29.95
CCCC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978709	1	35	-2.0	-117.69	345.54	6.50	-111.19
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010978710	0	41	-1.0	-42.36	356.71	5.16	-37.20
CCCC[C@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010978711	0	40	-1.0	-36.77	364.84	5.04	-31.73
CCCC[C@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010978712	0	41	-1.0	-46.26	345.73	4.38	-41.88
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010978713	0	42	-1.0	-42.94	365.53	4.26	-38.68
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010978714	0	38	-1.0	-45.52	344.77	4.27	-41.25
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010978715	0	37	-1.0	-38.89	343.63	5.68	-33.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010978716	0	45	-1.0	-44.44	391.16	1.60	-42.84
CCCC[C@H](NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300010978717	0	46	-1.0	-43.87	413.91	7.69	-36.18
CCCC[C@H](NS(=O)(=O)C1=CC=CC(CC#N)=C1)C(=O)[O-]	REAL300010978718	0	38	-1.0	-44.64	339.28	5.75	-38.89
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010978719	0	40	-1.0	-46.72	342.60	3.75	-42.97
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010978720	0	39	-1.0	-54.66	353.83	0.21	-54.45
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010978721	0	40	-1.0	-47.19	345.49	4.94	-42.25
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl)C(=O)[O-]	REAL300010978722	0	42	-1.0	-47.48	374.32	6.48	-41.00
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010978723	0	38	-1.0	-43.15	343.23	4.65	-38.50
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010978724	0	40	-1.0	-42.75	337.93	4.16	-38.59
CCCC[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010978725	0	40	-1.0	-50.08	334.20	5.70	-44.38
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010978726	0	34	-1.0	-49.14	325.38	5.59	-43.55
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010978727	0	40	-1.0	-40.97	332.76	6.27	-34.70
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010978728	0	34	-1.0	-40.57	332.78	5.86	-34.71
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010978729	0	44	-1.0	-42.95	360.04	1.94	-41.01
CCCC[C@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010978730	0	35	-2.0	-118.12	346.49	5.55	-112.57
CCCC[C@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010978730	1	36	-1.0	-37.65	335.25	5.44	-32.21
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)S1)C(=O)[O-]	REAL300010978731	0	32	-1.0	-39.58	311.82	4.18	-35.40
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010978732	0	36	-1.0	-38.47	332.99	5.34	-33.13
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010978732	1	35	-2.0	-114.40	342.76	5.42	-108.98
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010978733	0	34	-1.0	-38.89	325.80	5.91	-32.98
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010978733	1	33	-2.0	-120.80	326.87	5.69	-115.11
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010978734	0	35	-1.0	-47.13	310.49	2.99	-44.14
CCCC[C@H](NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300010978735	0	37	-1.0	-44.61	323.52	2.13	-42.48
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010978736	0	34	-1.0	-46.19	313.57	4.96	-41.23
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010978737	0	44	-1.0	-46.74	381.39	5.34	-41.40
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010978738	0	34	-1.0	-39.38	330.51	5.86	-33.52
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010978739	0	37	-1.0	-42.72	338.26	5.80	-36.92
CCCC[C@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010978740	0	37	-1.0	-50.07	341.98	2.11	-47.96
CCCC[C@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010978740	1	36	-2.0	-105.11	338.69	0.98	-104.13
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010978741	0	37	-1.0	-42.64	342.83	5.91	-36.73
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010978742	0	38	-1.0	-46.65	350.55	1.91	-44.74
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OCC)C(=O)[O-]	REAL300010978743	0	43	-1.0	-47.97	359.04	6.91	-41.06
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010978744	0	42	-1.0	-48.57	353.71	3.37	-45.20
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010978745	0	38	-1.0	-46.42	355.12	2.01	-44.41
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300010978746	0	41	-1.0	-45.41	350.65	4.84	-40.57
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010978747	0	45	-1.0	-49.64	375.79	5.83	-43.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010978748	0	38	-1.0	-37.74	353.72	5.76	-31.98
CCCC[C@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010978749	0	43	-1.0	-37.36	360.09	3.02	-34.34
CCCC[C@H](NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300010978750	0	43	-1.0	-42.23	361.20	6.72	-35.51
CCCC[C@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010978751	0	41	-1.0	-44.84	364.65	5.13	-39.71
CCCC[C@H](NS(=O)(=O)N1CCOC(C#N)C1)C(=O)[O-]	REAL300010978752	0	38	-1.0	-42.05	328.29	1.91	-40.14
CCCC[C@H](NS(=O)(=O)N(CC)CC(C)C#N)C(=O)[O-]	REAL300010978753	0	42	-1.0	-42.29	344.58	4.17	-38.12
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010978754	0	37	-1.0	-44.24	308.36	3.20	-41.04
CCCC[C@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010978755	0	35	-1.0	-47.24	337.09	5.44	-41.80
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010978756	0	35	-1.0	-44.19	338.97	5.54	-38.65
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010978757	0	40	-1.0	-39.34	350.70	6.48	-32.86
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010978758	0	40	-1.0	-46.76	354.93	6.04	-40.72
CCCC[C@H](NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010978759	0	48	-1.0	-46.89	403.02	1.86	-45.03
CCCC[C@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010978760	0	44	-1.0	-47.04	370.10	2.23	-44.81
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010978761	0	33	-2.0	-134.05	319.22	5.15	-128.90
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010978761	1	34	-1.0	-43.58	318.96	5.43	-38.15
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010978762	0	51	-1.0	-47.84	412.02	6.57	-41.27
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978763	0	43	-1.0	-43.99	381.98	6.05	-37.94
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010978764	0	44	-1.0	-45.75	391.83	6.22	-39.53
CCCC[C@H](NS(=O)(=O)C1=CC(CCC)=CC=C1Cl)C(=O)[O-]	REAL300010978765	0	43	-1.0	-42.88	375.69	7.42	-35.46
CCCC[C@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010978766	0	43	-1.0	-44.17	372.91	7.11	-37.06
CCCC[C@H](NC(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300010978767	0	41	-1.0	-63.31	336.41	3.51	-59.80
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010978768	0	44	-1.0	-47.11	378.10	3.58	-43.53
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010978769	0	34	-1.0	-41.66	307.52	4.78	-36.88
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010978769	1	33	-2.0	-128.79	318.73	4.89	-123.90
CCCC[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010978770	0	47	-1.0	-42.27	398.65	6.14	-36.13
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010978771	0	43	-1.0	-40.88	379.90	6.25	-34.63
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010978771	1	42	-2.0	-127.47	386.40	6.94	-120.53
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010978772	0	36	-1.0	-42.53	341.09	6.32	-36.21
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010978772	1	35	-2.0	-125.16	339.30	6.70	-118.46
CCCC[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010978773	0	43	-1.0	-47.70	357.87	1.76	-45.94
CCCC[C@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010978774	0	41	-2.0	-130.93	359.58	6.42	-124.51
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010978775	0	45	-1.0	-49.77	393.59	4.41	-45.36
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300010978776	0	46	-1.0	-43.72	384.86	6.39	-37.33
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010978777	0	48	-1.0	-51.29	410.83	2.81	-48.48
CCCC[C@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010978778	0	45	-1.0	-46.13	364.48	4.42	-41.71
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300010978779	0	47	-1.0	-43.87	385.91	6.29	-37.58
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978780	0	46	-1.0	-42.88	389.74	6.69	-36.19
CCCC[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010978781	0	37	-1.0	-43.43	330.75	5.82	-37.61
CCCC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300010978782	0	46	-1.0	-46.15	395.86	6.95	-39.20
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010978783	0	40	-1.0	-41.79	373.99	7.13	-34.66
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010978783	1	39	-2.0	-133.85	367.22	7.50	-126.35
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010978784	0	37	-1.0	-39.62	333.26	6.44	-33.18
CCCC[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010978785	0	50	-1.0	-39.28	395.35	5.90	-33.38
CCCC[C@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010978786	0	39	-1.0	-42.30	343.31	3.76	-38.54
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010978787	0	40	-1.0	-41.98	359.85	6.59	-35.39
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300010978788	0	43	-1.0	-44.82	368.84	5.86	-38.96
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010978789	0	44	-1.0	-45.43	371.23	8.00	-37.43
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300010978790	0	48	-1.0	-47.48	416.19	2.38	-45.10
CCCC[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010978791	0	37	-1.0	-44.19	337.29	5.85	-38.34
CCCC[C@H](NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300010978792	0	46	-1.0	-44.89	399.05	5.81	-39.08
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010978793	0	40	-1.0	-44.68	369.82	2.55	-42.13
CCCC[C@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010978794	0	38	-1.0	-44.97	346.15	5.49	-39.48
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010978795	0	37	-1.0	-43.51	329.23	5.45	-38.06
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010978796	0	36	-1.0	-40.81	320.85	3.92	-36.89
CCCC[C@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010978797	0	37	-1.0	-50.76	331.88	4.76	-46.00
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010978797	1	36	-2.0	-145.00	333.46	4.31	-140.69
CCCC[C@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978798	0	35	-1.0	-39.92	322.67	3.48	-36.44
CCCC[C@H](NS(=O)(=O)CC(C)(C)C(=O)OC)C(=O)[O-]	REAL300010978799	0	42	-1.0	-47.42	346.78	4.51	-42.91
CCCC[C@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010978800	0	47	-1.0	-52.88	393.25	5.48	-47.40
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010978801	0	37	-2.0	-109.98	331.30	4.94	-105.04
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010978801	1	38	-1.0	-42.13	333.17	3.37	-38.76
CCCC[C@H](NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	REAL300010978802	0	43	-1.0	-45.63	357.78	6.22	-39.41
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010978803	0	35	-1.0	-37.98	333.37	5.25	-32.73
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010978803	1	34	-2.0	-118.19	342.55	5.27	-112.92
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010978804	0	45	-1.0	-50.63	380.82	3.95	-46.68
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010978805	0	49	-1.0	-44.26	412.24	7.45	-36.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300010978806	0	46	-1.0	-51.75	402.61	3.87	-47.88
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010978807	0	39	-1.0	-44.35	343.47	1.78	-42.57
CCCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010978808	0	46	-1.0	-42.79	372.00	5.70	-37.09
CCCC[C@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010978809	0	33	-1.0	-38.26	328.36	3.78	-34.48
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010978810	0	41	-1.0	-40.97	368.84	4.82	-36.15
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010978811	0	40	-1.0	-39.80	351.47	6.10	-33.70
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010978812	0	45	-1.0	-42.09	404.35	8.01	-34.08
CCCC[C@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010978813	0	43	-1.0	-46.91	375.90	6.08	-40.83
CCCC[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010978814	0	36	-1.0	-47.34	314.88	4.43	-42.91
CCCC[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300010978815	0	44	-1.0	-41.30	343.09	5.94	-35.36
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010978816	0	40	-1.0	-44.45	359.32	6.52	-37.93
CCCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010978817	0	43	-1.0	-43.38	360.72	4.99	-38.39
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010978818	0	34	-1.0	-38.98	329.61	4.79	-34.19
CCCC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010978819	0	38	-1.0	-46.86	346.44	5.60	-41.26
CCCC[C@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010978820	0	47	-1.0	-44.99	406.89	4.95	-40.04
CCCC[C@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978821	0	50	-1.0	-45.81	431.01	5.91	-39.90
CCCC[C@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010978822	0	49	-1.0	-42.44	380.99	6.04	-36.40
CCCC[C@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010978823	0	42	-1.0	-43.29	365.53	3.96	-39.33
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010978824	0	38	-1.0	-47.67	338.13	4.09	-43.58
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010978825	0	43	-1.0	-44.59	392.68	6.71	-37.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010978826	0	35	-1.0	-39.60	323.76	5.01	-34.59
CCCC[C@H](NS(=O)(=O)CCC1CCOCC1)C(=O)[O-]	REAL300010978827	0	44	-1.0	-41.71	355.05	3.88	-37.83
CCCC[C@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010978828	0	50	-1.0	-50.08	427.63	6.41	-43.67
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300010978829	0	37	-1.0	-42.46	323.37	5.11	-37.35
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010978830	0	36	-1.0	-40.86	342.63	4.25	-36.61
CCCC[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010978831	0	47	-1.0	-42.35	355.29	6.59	-35.76
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010978832	0	43	-1.0	-47.17	364.13	6.23	-40.94
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010978833	0	35	-1.0	-47.22	320.05	4.25	-42.97
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010978834	0	40	-1.0	-41.91	350.48	6.13	-35.78
CCCC[C@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010978835	0	37	-1.0	-46.45	332.93	3.41	-43.04
CCCC[C@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010978835	1	36	-2.0	-131.54	329.75	3.67	-127.87
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978836	0	36	-1.0	-40.24	339.32	6.68	-33.56
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978836	1	35	-2.0	-127.04	332.02	6.88	-120.16
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010978837	0	43	-1.0	-43.92	363.00	5.47	-38.45
CCCC[C@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010978838	0	42	-1.0	-46.32	375.77	6.03	-40.29
CCCC[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010978839	0	43	-1.0	-45.11	347.31	5.68	-39.43
CCCC[C@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010978840	0	44	-1.0	-45.21	377.15	5.35	-39.86
CCCC[C@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010978841	0	61	-1.0	-44.38	457.92	10.57	-33.81
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010978842	0	39	-1.0	-45.71	336.93	6.05	-39.66
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010978843	0	46	-1.0	-42.92	398.30	6.89	-36.03
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010978844	0	39	-1.0	-49.01	332.97	4.12	-44.89
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978845	0	41	-1.0	-42.00	365.59	4.89	-37.11
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300010978846	0	41	-1.0	-43.82	348.17	6.75	-37.07
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010978847	0	46	-1.0	-45.98	383.17	6.31	-39.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010978848	0	42	-1.0	-45.06	359.82	5.58	-39.48
CCCC[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010978849	0	37	-1.0	-46.33	335.48	5.08	-41.25
CCCC[C@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010978849	1	36	-2.0	-125.39	332.74	4.76	-120.63
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010978850	0	37	-1.0	-43.93	338.86	6.25	-37.68
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010978850	1	36	-2.0	-133.85	348.15	6.36	-127.49
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010978851	0	37	-1.0	-40.19	348.54	5.96	-34.23
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010978852	0	43	-1.0	-50.60	378.83	2.77	-47.83
CCCC[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300010978853	0	37	-1.0	-47.25	313.08	5.23	-42.02
CCCC[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300010978854	0	46	-1.0	-41.16	362.76	6.26	-34.90
CCCC[C@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010978855	0	43	-1.0	-47.40	366.59	7.57	-39.83
CCCC[C@H](NS(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010978856	0	31	-1.0	-54.59	295.92	3.65	-50.94
CCCC[C@H]([N-]S(=O)(=O)C1=C(Cl)C=CS1)C(=O)[O-]	REAL300010978856	1	30	-2.0	-125.86	304.54	3.77	-122.09
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010978857	0	43	-1.0	-41.54	376.78	6.44	-35.10
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010978858	0	49	-1.0	-49.94	420.90	5.17	-44.77
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010978859	0	47	-1.0	-47.61	395.28	4.97	-42.64
CCCC[C@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010978860	0	37	-1.0	-47.49	339.37	5.76	-41.73
CCCC[C@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010978861	0	40	-1.0	-50.64	335.74	6.52	-44.12
CCCC[C@H](NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300010978862	0	52	-1.0	-42.86	399.25	9.23	-33.63
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300010978863	0	39	-1.0	-45.80	332.84	4.42	-41.38
CCCC[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010978864	0	41	-1.0	-48.93	353.04	4.33	-44.60
CCCC[C@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010978865	0	36	-1.0	-44.32	345.22	4.51	-39.81
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010978866	0	42	-1.0	-41.48	354.77	4.57	-36.91
CCCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010978867	0	42	-1.0	-47.00	370.44	3.18	-43.82
CCCC[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010978868	0	39	-1.0	-49.84	353.47	-0.42	-50.26
CCCC[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010978869	0	45	-1.0	-57.16	367.78	1.66	-55.50
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010978870	0	38	-1.0	-41.52	342.57	4.44	-37.08
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010978871	0	37	-1.0	-40.59	322.48	1.78	-38.81
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010978872	0	47	-1.0	-45.33	391.43	5.64	-39.69
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300010978873	0	39	-1.0	-48.49	334.48	4.42	-44.07
CCCC[C@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010978874	0	43	-1.0	-45.16	362.84	7.42	-37.74
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010978875	0	38	-1.0	-39.47	322.86	4.95	-34.52
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010978876	0	38	-1.0	-39.60	333.19	5.41	-34.19
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010978877	0	43	-1.0	-44.67	379.45	6.07	-38.60
CCCC[C@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010978878	0	47	-1.0	-41.90	383.85	5.94	-35.96
CCCC[C@H](NS(=O)(=O)CC(CC(C)C)OC)C(=O)[O-]	REAL300010978879	0	46	-1.0	-42.10	366.66	4.41	-37.69
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010978880	0	38	-1.0	-40.53	315.80	4.79	-35.74
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010978881	0	37	-1.0	-41.66	356.41	6.36	-35.30
CCCC[C@H](NS(=O)(=O)CCCC1CCOC1)C(=O)[O-]	REAL300010978882	0	44	-1.0	-42.90	358.67	3.85	-39.05
CCCC[C@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010978883	0	37	-1.0	-41.29	351.91	6.34	-34.95
CCCC[C@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010978884	0	37	-1.0	-39.56	338.90	3.73	-35.83
CCCC[C@H](NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010978885	0	42	-1.0	-47.22	361.85	6.46	-40.76
CCCC[C@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010978886	0	50	-1.0	-44.37	387.30	6.73	-37.64
CCCC[C@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010978887	0	41	-1.0	-48.54	360.54	6.43	-42.11
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300010978888	0	38	-1.0	-44.86	328.44	3.95	-40.91
CCCC[C@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010978889	0	37	-1.0	-41.95	342.55	1.85	-40.10
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1F)C(=O)[O-]	REAL300010978890	0	43	-1.0	-47.74	368.81	5.87	-41.87
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010978891	0	43	-1.0	-42.57	393.13	6.29	-36.28
CCCC[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010978892	0	37	-1.0	-39.60	335.03	5.78	-33.82
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010978893	0	37	-1.0	-41.56	334.77	5.71	-35.85
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010978894	0	40	-1.0	-52.97	347.41	5.61	-47.36
CCCC[C@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010978895	0	43	-1.0	-44.42	383.28	6.05	-38.37
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978896	0	40	-1.0	-48.84	360.50	5.39	-43.45
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978896	1	39	-2.0	-137.29	366.88	6.08	-131.21
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010978897	0	43	-1.0	-45.41	365.82	5.55	-39.86
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010978898	0	41	-1.0	-43.33	350.29	4.87	-38.46
CCCC[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010978899	0	40	-1.0	-40.88	350.66	6.44	-34.44
CCCC[C@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010978900	0	47	-1.0	-41.86	376.54	4.63	-37.23
CCCC[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010978901	0	49	-1.0	-43.33	411.67	2.40	-40.93
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010978902	0	42	-1.0	-48.37	350.33	5.80	-42.57
CCCC[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010978903	0	41	-1.0	-48.51	364.41	2.47	-46.04
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010978904	0	34	-1.0	-39.89	319.63	5.15	-34.74
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010978905	0	34	-1.0	-50.88	319.81	4.59	-46.29
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010978906	0	43	-1.0	-51.12	346.43	4.92	-46.20
CCCC[C@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010978907	0	44	-1.0	-48.26	370.92	3.52	-44.74
CCCC[C@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010978908	0	40	-1.0	-41.89	349.54	6.16	-35.73
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010978909	0	40	-1.0	-46.38	348.69	6.11	-40.27
CCCC[C@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010978910	0	40	-1.0	-44.75	355.79	6.45	-38.30
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010978911	0	38	-1.0	-37.78	336.33	5.38	-32.40
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010978912	0	49	-1.0	-46.71	385.43	3.79	-42.92
CCCC[C@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010978913	0	45	-1.0	-46.71	389.08	5.05	-41.66
CCCC[C@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010978914	0	41	-1.0	-44.65	373.87	7.22	-37.43
CCCC[C@H](NS(=O)(=O)N1CCC(OC)CC1)C(=O)[O-]	REAL300010978915	0	43	-1.0	-40.22	349.58	2.86	-37.36
CCCC[C@H](NS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010978916	0	45	-1.0	-44.03	362.54	2.09	-41.94
CCCC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010978917	0	37	-1.0	-41.44	341.57	5.90	-35.54
CCCC[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010978918	0	37	-1.0	-41.78	338.35	5.77	-36.01
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010978919	0	34	-1.0	-39.51	337.32	5.75	-33.76
CCCC[C@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010978920	0	41	-1.0	-50.66	355.22	2.06	-48.60
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@@H](CCCC)C(=O)[O-])C=C1	REAL300010978921	0	59	-1.0	-43.04	479.28	9.58	-33.46
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010978922	0	49	-1.0	-45.40	406.92	6.93	-38.47
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010978923	0	34	-1.0	-41.20	326.31	5.29	-35.91
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010978924	0	40	-1.0	-44.68	356.36	5.27	-39.41
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010978925	0	48	-1.0	-46.31	405.25	7.64	-38.67
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010978926	0	48	-1.0	-45.73	414.52	7.94	-37.79
CCCC[C@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010978927	0	33	-1.0	-46.25	306.14	3.37	-42.88
CCCC[C@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010978927	1	32	-2.0	-134.71	309.07	3.10	-131.61
CCCC[C@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010978928	0	46	-1.0	-45.33	384.67	4.30	-41.03
CCCC[C@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010978929	0	44	-1.0	-41.98	377.64	5.27	-36.71
CCCC[C@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010978930	0	46	-1.0	-46.86	383.36	6.07	-40.79
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010978931	0	40	-1.0	-46.39	342.46	3.47	-42.92
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010978932	0	42	-1.0	-45.30	378.94	3.48	-41.82
CCCC[C@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010978933	0	46	-1.0	-46.17	389.52	7.49	-38.68
CCCC[C@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010978934	0	45	-1.0	-48.49	384.00	3.72	-44.77
CCCC[C@H](NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300010978935	0	44	-1.0	-43.50	361.91	4.90	-38.60
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978936	0	40	-1.0	-48.79	351.64	4.97	-43.82
CCCC[C@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010978936	1	39	-2.0	-136.48	356.56	5.64	-130.84
CCCC[C@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010978937	0	45	-1.0	-54.51	387.52	6.18	-48.33
CCCC[C@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300010978938	0	47	-1.0	-45.94	389.33	6.28	-39.66
CCCC[C@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010978939	0	47	-1.0	-41.93	371.47	4.84	-37.09
CCCC[C@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010978940	0	50	-1.0	-42.69	390.52	5.78	-36.91
CCCC[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010978941	0	37	-1.0	-43.58	338.70	4.17	-39.41
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010978942	0	53	-1.0	-45.17	430.77	7.68	-37.49
CCCC[C@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010978943	0	37	-1.0	-53.22	345.24	4.33	-48.89
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010978944	0	38	-1.0	-40.69	315.81	4.78	-35.91
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010978945	0	42	-1.0	-44.85	359.97	7.00	-37.85
CCCC[C@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010978946	0	41	-1.0	-43.28	341.67	4.36	-38.92
CCCC[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010978947	0	47	-1.0	-44.71	400.85	6.93	-37.78
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010978948	0	40	-1.0	-45.63	354.48	3.99	-41.64
CCCC[C@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010978948	1	39	-2.0	-123.75	353.99	3.67	-120.08
CCCC[C@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300010978949	0	47	-1.0	-56.05	392.46	7.08	-48.97
CCCC[C@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010978950	0	45	-1.0	-51.67	384.29	5.19	-46.48
CCCC[C@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010978951	0	37	-1.0	-42.24	339.90	3.28	-38.96
CCCC[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010978952	0	45	-1.0	-48.05	399.90	8.72	-39.33
CCCC[C@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010978953	0	37	-1.0	-37.58	333.63	5.84	-31.74
CCCC[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010978954	0	44	-1.0	-49.01	360.50	7.87	-41.14
CCCC[C@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010978955	0	40	-1.0	-45.32	359.75	6.53	-38.79
CCCC[C@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010978956	0	41	-1.0	-48.59	363.16	5.20	-43.39
CCCC[C@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010978957	0	40	-1.0	-45.82	353.76	6.13	-39.69
CCCC[C@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010978958	0	37	-1.0	-49.95	319.57	5.07	-44.88
CCCC[C@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010978959	0	33	-1.0	-47.23	309.43	2.89	-44.34
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010978959	1	32	-2.0	-129.19	313.71	3.57	-125.62
CCCC[C@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010978960	0	43	-1.0	-43.93	363.39	3.72	-40.21
CCCC[C@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010978961	0	40	-1.0	-47.81	333.71	2.95	-44.86
CCCC[C@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010978962	0	41	-1.0	-46.76	374.82	3.91	-42.85
CCCC[C@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010978963	0	36	-2.0	-139.82	321.94	4.44	-135.38
CCCC[C@H](NS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010978963	1	37	-1.0	-46.15	325.68	4.13	-42.02
CCCC[C@H](NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300010978964	0	47	-1.0	-43.95	382.39	6.08	-37.87
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010978965	0	40	-1.0	-40.12	370.50	6.49	-33.63
CCCC[C@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010978966	0	42	-1.0	-47.18	366.62	5.60	-41.58
CCCC[C@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978967	0	35	-2.0	-145.38	316.76	3.68	-141.70
CCCC[C@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010978967	1	36	-1.0	-50.31	320.25	3.37	-46.94
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010978968	0	37	-1.0	-38.77	347.35	6.37	-32.40
CCCC[C@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010978969	0	43	-1.0	-46.64	348.66	7.71	-38.93
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010978970	0	41	-1.0	-40.67	370.13	4.54	-36.13
CCCC[C@H](NS(=O)(=O)C1=CC=CC=C1CC#N)C(=O)[O-]	REAL300010978971	0	38	-1.0	-41.52	328.74	5.85	-35.67
CCCC[C@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010978972	0	43	-1.0	-44.13	370.80	4.38	-39.75
CCCC[C@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010978973	0	39	-1.0	-49.38	343.15	3.08	-46.30
CCCC[C@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010978974	0	43	-1.0	-50.89	372.57	6.85	-44.04
CCCC[C@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010978975	0	34	-1.0	-44.17	311.07	2.16	-42.01
CCCC[C@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010978975	1	33	-2.0	-124.58	311.93	1.84	-122.74
CCCC[C@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010978976	0	39	-1.0	-42.61	334.98	5.45	-37.16
CCCC[C@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010978977	0	40	-1.0	-44.68	347.34	5.96	-38.72
CCCC[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)C(=O)[O-]	REAL300010978978	0	46	0.0	-50.27	363.80	5.50	-44.77
CCCC[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010978979	0	51	0.0	-60.22	399.67	3.80	-56.42
CCCC[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010978979	1	50	-1.0	-40.33	393.42	1.38	-38.95
CCCC[C@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010978980	0	34	-1.0	-40.49	304.20	2.16	-38.33
CCCC[C@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010978981	0	38	-1.0	-41.15	332.74	5.73	-35.42
CCCC[C@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010978982	0	43	-1.0	-44.45	368.47	3.18	-41.27
CCCC[C@H](NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300010978983	0	46	-1.0	-47.07	387.84	5.31	-41.76
CCCC[C@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010978984	0	44	-1.0	-40.91	368.52	5.38	-35.53
CCCC[C@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010978985	0	44	-1.0	-49.15	370.39	5.36	-43.79
CCCC[C@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010978986	0	38	-1.0	-46.18	332.20	4.64	-41.54
CCCC[C@H](NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010978987	0	50	-1.0	-45.41	409.27	6.88	-38.53
CCCC[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010978988	0	46	-1.0	-44.98	377.53	6.89	-38.09
CCCC[C@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010978989	0	35	-1.0	-38.18	324.29	5.04	-33.14
CCCC[C@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010978990	0	37	-1.0	-41.73	341.50	5.81	-35.92
CCCC[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010978991	0	53	-1.0	-43.18	423.48	9.11	-34.07
CCCC[C@H](NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300010978992	0	38	-1.0	-48.45	318.02	4.08	-44.37
CCCC[C@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010978993	0	31	-1.0	-46.38	296.39	2.55	-43.83
CCCC[C@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010978993	1	30	-2.0	-139.29	292.21	2.85	-136.44
CCCC[C@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010978994	0	42	-1.0	-47.10	363.15	5.39	-41.71
CCCC[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010978995	0	33	-1.0	-47.72	321.35	3.71	-44.01
CCCC[C@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010978995	1	32	-2.0	-122.75	316.79	4.09	-118.66
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010978996	0	33	-1.0	-47.26	304.84	2.82	-44.44
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010978996	1	32	-2.0	-128.84	309.12	3.50	-125.34
CCCC[C@H](NS(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010978997	0	33	-1.0	-47.60	294.36	2.33	-45.27
CCCC[C@H]([N-]S(=O)(=O)C1=CC=C(F)N=C1F)C(=O)[O-]	REAL300010978997	1	32	-2.0	-123.61	303.51	2.43	-121.18
CCCC[C@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010978998	0	37	-1.0	-41.53	330.78	2.56	-38.97
CCCC[C@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010978999	0	39	-1.0	-44.95	354.80	5.48	-39.47
CCCC[C@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010979000	0	36	-1.0	-39.95	336.79	4.46	-35.49
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(C)=C1F	REAL300010979951	0	37	-1.0	-52.58	323.50	4.41	-48.17
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C2	REAL300010979952	0	37	-1.0	-55.36	337.95	4.68	-50.68
COC(=O)C1CCCCC1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979953	0	42	-1.0	-56.14	339.62	5.63	-50.51
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979954	0	45	-1.0	-50.86	369.88	5.54	-45.32
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979955	0	38	-1.0	-52.21	346.38	6.34	-45.87
CC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979956	0	37	-1.0	-56.98	329.92	3.03	-53.95
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979957	0	38	-1.0	-51.49	332.60	6.23	-45.26
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC(Br)=CC3=C1OCC3)C2	REAL300010979958	0	35	-1.0	-52.93	331.95	4.62	-48.31
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C2	REAL300010979959	0	30	-1.0	-50.09	301.37	5.24	-44.85
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2	REAL300010979960	0	32	-1.0	-56.42	291.52	5.65	-50.77
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010979961	0	27	-1.0	-51.86	278.58	2.91	-48.95
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C2	REAL300010979961	1	26	-2.0	-102.43	275.22	2.60	-99.83
N#CC1(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300010979962	0	40	-1.0	-58.75	328.52	5.04	-53.71
CC1(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)CCCCC1	REAL300010979963	0	42	-1.0	-51.93	323.37	5.65	-46.28
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C2	REAL300010979964	0	32	-1.0	-53.52	301.51	4.82	-48.70
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979965	0	34	-1.0	-51.00	324.33	4.06	-46.94
CCOC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN1C	REAL300010979966	0	40	-1.0	-58.81	357.28	5.21	-53.60
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)CCCN1C(=O)C3=CC=CC=C3C1=O)C2	REAL300010979967	0	43	-1.0	-62.10	384.81	5.25	-56.85
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)C=C12	REAL300010979968	0	37	-1.0	-56.26	334.83	1.85	-54.41
CCC1=NC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979969	0	32	-1.0	-50.83	304.25	2.75	-48.08
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=C4C(=C1)CC(=O)N4CCC3)C2	REAL300010979970	0	42	-1.0	-54.59	357.56	5.59	-49.00
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010979971	0	30	-1.0	-53.82	287.92	4.88	-48.94
O=C([O-])[C@]12C[C@H]1[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C2	REAL300010979971	1	29	-2.0	-113.29	286.89	4.68	-108.61
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C(Cl)=N1	REAL300010979972	0	32	-1.0	-52.54	303.76	3.52	-49.02
COC1=CC(C#N)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979973	0	35	-1.0	-51.95	322.86	4.35	-47.60
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C3=CC=CN=C31)C2	REAL300010979974	0	37	-1.0	-54.18	339.09	5.38	-48.80
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1Cl	REAL300010979975	0	34	-1.0	-53.00	328.45	5.62	-47.38
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)S1	REAL300010979976	0	32	-1.0	-50.68	313.46	4.55	-46.13
CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979977	0	40	-1.0	-62.57	356.49	0.72	-61.85
COC1=CC(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CN=C1Cl	REAL300010979978	0	33	-1.0	-50.35	314.46	2.12	-48.23
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979979	0	35	-1.0	-53.91	316.33	4.63	-49.28
CCN1C(=O)OC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CC=C21	REAL300010979980	0	39	-1.0	-58.50	349.45	5.11	-53.39
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(OCC3CCOC3)C(F)=C1)C2	REAL300010979981	0	45	-1.0	-56.04	386.99	4.59	-51.45
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C2	REAL300010979982	0	29	-1.0	-52.37	295.05	3.93	-48.44
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979983	0	48	0.0	-78.11	385.91	5.23	-72.88
CCC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979984	0	39	-1.0	-53.87	340.11	6.31	-47.56
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1F	REAL300010979985	0	36	-1.0	-54.36	323.94	5.57	-48.79
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979986	0	33	-1.0	-50.22	309.87	5.68	-44.54
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CNC3=CC=CC(F)=C13)C2	REAL300010979987	0	34	-1.0	-57.30	312.68	4.23	-53.07
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C2	REAL300010979988	0	30	-1.0	-49.92	300.71	4.87	-45.05
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979989	0	38	-1.0	-56.33	325.15	4.72	-51.61
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1C	REAL300010979990	0	57	-1.0	-51.50	456.87	8.58	-42.92
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=CC=C3OCC1)C2	REAL300010979991	0	39	-1.0	-52.71	335.01	5.65	-47.06
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979992	0	44	-1.0	-53.59	396.18	5.28	-48.31
N#CC1=CC=C(Cl)C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=C1	REAL300010979993	0	31	-1.0	-52.24	308.00	5.15	-47.09
CC1=NC(CS(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)=CS1	REAL300010979994	0	32	-1.0	-55.79	303.87	2.55	-53.24
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C2	REAL300010979995	0	33	-1.0	-56.47	317.85	3.25	-53.22
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC3=CC=C(Br)C=C3C=C1)C2	REAL300010979996	0	36	-1.0	-51.76	340.78	7.03	-44.73
COC(=O)CCCCCS(=O)(=O)N[C@H]1C[C@@]2(C(=O)[O-])C[C@@H]12	REAL300010979997	0	41	-1.0	-58.77	357.01	5.01	-53.76
CN1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@]4(C(=O)[O-])C[C@@H]34)=CN=C21	REAL300010979998	0	35	-1.0	-54.17	317.92	3.27	-50.90
COC(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@]3(C(=O)[O-])C[C@@H]23)C=C1	REAL300010979999	0	38	-1.0	-54.85	340.75	2.35	-52.50
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1F	REAL300010981270	0	38	-1.0	-50.74	323.34	3.87	-46.87
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300010981271	0	38	-1.0	-51.01	339.59	4.24	-46.77
COC(=O)C1CCCCC1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981272	0	43	-1.0	-58.22	341.66	5.21	-53.01
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981273	0	46	-1.0	-51.26	371.70	5.02	-46.24
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981274	0	39	-1.0	-50.07	344.06	5.77	-44.30
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981275	0	38	-1.0	-54.06	331.36	2.59	-51.47
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981276	0	39	-1.0	-51.72	331.77	5.70	-46.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300010981277	0	36	-1.0	-52.68	316.52	4.02	-48.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(I)C=C1	REAL300010981278	0	31	-1.0	-45.67	303.08	4.80	-40.87
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300010981279	0	33	-1.0	-56.42	289.77	5.18	-51.24
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010981280	0	28	-1.0	-49.26	278.68	2.44	-46.82
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010981280	1	27	-2.0	-101.38	274.42	2.25	-99.13
CC(CCC(=O)[O-])NS(=O)(=O)CC1(C#N)CCCCC1	REAL300010981281	0	41	-1.0	-52.87	329.80	4.60	-48.27
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300010981282	0	33	-1.0	-53.09	301.44	4.29	-48.80
COC1=CC(Br)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981283	0	35	-1.0	-47.07	326.08	3.61	-43.46
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN1C	REAL300010981284	0	41	-1.0	-55.81	356.38	4.67	-51.14
CC(CCC(=O)[O-])NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010981285	0	44	-1.0	-56.05	386.39	4.80	-51.25
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C12	REAL300010981286	0	38	-1.0	-51.38	334.51	1.34	-50.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2	REAL300010981287	0	43	-1.0	-51.23	359.61	5.12	-46.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010981288	0	31	-1.0	-53.63	289.00	4.41	-49.22
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC=C1Cl	REAL300010981288	1	30	-2.0	-110.41	286.09	4.34	-106.07
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(Cl)=N1	REAL300010981289	0	33	-1.0	-51.44	304.26	2.97	-48.47
COC1=CC(C#N)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981290	0	36	-1.0	-47.67	324.19	4.00	-43.67
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300010981291	0	38	-1.0	-52.51	326.42	5.34	-47.17
CSC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981292	0	35	-1.0	-50.24	328.42	5.09	-45.15
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981293	0	33	-1.0	-49.50	315.27	4.10	-45.40
CC(CCC(=O)[O-])NS(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300010981294	0	41	-1.0	-63.44	355.81	0.18	-63.26
COC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN=C1Cl	REAL300010981295	0	34	-1.0	-49.13	316.14	1.66	-47.47
CCN1C(=O)OC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C21	REAL300010981296	0	40	-1.0	-55.13	349.19	4.58	-50.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300010981297	0	46	-1.0	-53.29	386.97	4.06	-49.23
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1	REAL300010981298	0	30	-1.0	-51.09	294.40	3.42	-47.67
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981299	0	49	0.0	-68.96	389.55	4.82	-64.14
CC1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981300	0	37	-1.0	-49.66	325.26	5.13	-44.53
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981301	0	34	-1.0	-44.83	308.65	5.13	-39.70
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300010981302	0	35	-1.0	-58.51	315.90	3.82	-54.69
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1F	REAL300010981303	0	31	-1.0	-47.57	302.30	4.41	-43.16
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981304	0	39	-1.0	-51.71	327.50	4.25	-47.46
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1C	REAL300010981305	0	58	-1.0	-50.91	460.56	8.18	-42.73
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300010981306	0	40	-1.0	-48.00	337.14	5.14	-42.86
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981307	0	45	-1.0	-55.21	396.44	4.76	-50.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1Cl	REAL300010981308	0	32	-1.0	-46.58	306.75	4.61	-41.97
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300010981309	0	34	-1.0	-55.78	319.96	2.77	-53.01
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300010981310	0	46	-1.0	-63.69	374.37	4.58	-59.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300010981311	0	37	-1.0	-50.06	340.47	6.51	-43.55
COC(=O)CCCCCS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981312	0	42	-1.0	-51.27	358.59	4.56	-46.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300010981313	0	36	-1.0	-51.92	317.60	2.75	-49.17
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981314	0	39	-1.0	-51.90	342.47	1.92	-49.98
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300010981316	0	34	-1.0	-45.43	330.73	5.20	-40.23
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981317	0	42	-1.0	-50.15	336.55	1.56	-48.59
CC1=CC(Br)=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981318	0	36	-1.0	-51.75	333.09	5.64	-46.11
COC1=C(F)C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981319	0	37	-1.0	-50.17	338.73	4.53	-45.64
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981320	0	41	-1.0	-51.48	362.92	2.86	-48.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1	REAL300010981321	0	42	-1.0	-60.88	372.11	5.44	-55.44
COC1=CC=C(CCS(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981322	0	41	-1.0	-49.85	349.54	4.51	-45.34
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300010981323	0	46	-1.0	-55.32	397.44	5.04	-50.28
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300010981324	0	34	-1.0	-48.54	315.17	2.57	-45.97
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300010981325	0	42	-1.0	-50.66	355.94	5.04	-45.62
CC1=CC=NC2=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=CC=C12	REAL300010981326	0	39	-1.0	-57.34	332.36	4.85	-52.49
COC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(OC)C=C1Br	REAL300010981327	0	39	-1.0	-50.99	352.63	3.42	-47.57
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)F)=C1	REAL300010981328	0	34	-1.0	-51.49	305.46	4.48	-47.01
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F	REAL300010981329	0	34	-1.0	-47.92	319.87	4.78	-43.14
CC1=CC(Br)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981330	0	34	-1.0	-45.58	317.97	4.97	-40.61
CSC1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981331	0	35	-1.0	-48.28	309.23	4.73	-43.55
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Br	REAL300010981332	0	38	-1.0	-52.95	347.49	3.27	-49.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300010981333	0	42	-1.0	-53.43	347.64	3.77	-49.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300010981334	0	43	-1.0	-53.62	364.79	3.64	-49.98
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300010981335	0	37	-1.0	-49.27	355.72	1.82	-47.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300010981336	0	39	-1.0	-50.72	344.81	4.96	-45.76
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981337	0	41	-1.0	-51.48	362.92	2.86	-48.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300010981338	0	39	-1.0	-51.42	324.40	4.01	-47.41
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1	REAL300010981339	0	34	-1.0	-47.74	321.14	4.99	-42.75
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(OC)=C1	REAL300010981340	0	41	-1.0	-50.49	358.07	4.25	-46.24
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=CS1	REAL300010981341	0	37	-1.0	-54.88	329.28	4.91	-49.97
COC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1F	REAL300010981342	0	35	-1.0	-49.89	308.93	2.99	-46.90
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981343	0	42	-1.0	-55.04	364.56	3.75	-51.29
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981344	0	45	-1.0	-56.07	379.97	4.94	-51.13
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300010981345	0	45	-1.0	-53.34	375.61	7.01	-46.33
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981346	0	39	-1.0	-47.24	343.98	5.77	-41.47
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010981347	0	31	-1.0	-44.82	317.14	4.86	-39.96
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F	REAL300010981347	1	30	-2.0	-99.86	311.66	4.67	-95.19
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300010981348	0	43	0.0	-69.08	353.63	5.60	-63.48
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300010981349	0	39	-1.0	-48.52	326.38	4.09	-44.43
CCOC(=O)C1=C(C)C2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C2O1	REAL300010981350	0	46	-1.0	-50.43	398.95	6.38	-44.05
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981351	0	43	-1.0	-47.54	363.76	6.10	-41.44
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010981352	0	31	-1.0	-48.69	309.62	4.77	-43.92
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl	REAL300010981352	1	30	-2.0	-100.00	305.22	4.65	-95.35
CC1=C(Cl)SC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981353	0	31	-1.0	-44.68	304.98	3.94	-40.74
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300010981354	0	37	-1.0	-51.66	320.38	4.19	-47.47
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981355	0	35	-1.0	-51.00	310.49	3.08	-47.92
CC1=CC=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1[N+](=O)[O-]	REAL300010981356	0	39	-1.0	-49.72	333.37	7.02	-42.70
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300010981357	0	37	-1.0	-47.49	336.28	5.49	-42.00
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010981358	0	41	-1.0	-47.46	359.41	6.56	-40.90
CC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981359	0	34	-1.0	-43.67	314.13	5.20	-38.47
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300010981360	0	36	-1.0	-50.01	316.45	4.03	-45.98
CC1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981361	0	37	-1.0	-55.11	322.99	5.03	-50.08
CC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981362	0	39	-1.0	-45.38	330.87	5.55	-39.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1Br	REAL300010981363	0	31	-1.0	-51.61	308.68	4.95	-46.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010981364	0	33	-1.0	-49.32	318.03	5.71	-43.61
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-]	REAL300010981364	1	32	-2.0	-102.30	315.56	5.76	-96.54
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010981365	0	41	-1.0	-47.46	359.41	6.56	-40.90
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(F)=C1	REAL300010981366	0	30	-1.0	-47.34	291.04	2.30	-45.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1	REAL300010981367	0	31	-1.0	-48.26	309.34	4.70	-43.56
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300010981368	0	42	-1.0	-50.67	369.77	3.45	-47.22
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F	REAL300010981369	0	30	-2.0	-102.99	291.12	3.93	-99.06
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981370	0	41	-1.0	-53.12	332.66	5.16	-47.96
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981371	0	37	-1.0	-52.45	332.53	4.31	-48.14
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981372	0	35	-1.0	-52.59	306.59	4.03	-48.56
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC(C(F)(F)F)=C1	REAL300010981373	0	32	-1.0	-49.91	303.56	2.48	-47.43
CC(CCC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300010981374	0	44	-1.0	-54.81	361.25	6.90	-47.91
CC(CCC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300010981375	0	42	-1.0	-51.61	356.66	4.43	-47.18
CC(CCC(=O)[O-])NC(=O)N1CCC(CC2=CC=CC=C2)CC1	REAL300010981376	0	48	-1.0	-47.01	372.76	10.08	-36.93
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300010981377	0	45	-1.0	-51.33	368.72	5.86	-45.47
COC1=CC=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981378	0	38	-1.0	-46.74	316.66	3.82	-42.92
COC(=O)C1=CN=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981379	0	36	-1.0	-51.63	323.25	2.45	-49.18
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1	REAL300010981380	0	32	-1.0	-50.14	313.71	4.52	-45.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010981381	0	33	-1.0	-48.62	328.25	5.27	-43.35
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl	REAL300010981381	1	32	-2.0	-94.42	323.84	5.15	-89.27
COC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981382	0	38	-1.0	-45.33	332.60	4.38	-40.95
COC(=O)C1=C(Cl)C(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981383	0	37	-1.0	-44.92	342.58	4.04	-40.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300010981384	0	38	-1.0	-52.15	322.61	3.31	-48.84
COC1=CC(Cl)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1OC	REAL300010981385	0	39	-1.0	-50.90	346.26	3.44	-47.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300010981386	0	35	-1.0	-51.23	318.68	3.27	-47.96
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300010981387	0	34	-1.0	-48.95	317.54	4.68	-44.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981388	0	42	-1.0	-54.53	365.08	0.59	-53.94
CCOC(=O)C1=CC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C2S1	REAL300010981389	0	43	-1.0	-48.78	389.83	6.74	-42.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F	REAL300010981390	0	37	-1.0	-52.42	324.24	3.00	-49.42
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1	REAL300010981391	0	36	-1.0	-57.56	330.04	-0.77	-58.33
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981392	0	37	-1.0	-52.53	335.75	4.45	-48.08
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981393	0	39	-1.0	-50.67	348.98	5.49	-45.18
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(Br)=C1	REAL300010981394	0	35	-1.0	-49.25	318.51	3.65	-45.60
CC1=CC2=C(C=C1S(=O)(=O)NC(C)CCC(=O)[O-])OCO2	REAL300010981395	0	37	-1.0	-46.65	313.54	3.20	-43.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300010981396	0	37	-1.0	-50.01	341.66	4.82	-45.19
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981397	0	37	-1.0	-52.13	311.47	4.73	-47.40
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Cl	REAL300010981398	0	31	-1.0	-46.41	303.11	4.72	-41.69
CC1=CC(F)=CC(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981399	0	37	-1.0	-47.58	306.32	5.20	-42.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1Br	REAL300010981400	0	31	-1.0	-51.04	310.57	5.02	-46.02
COC1=CC2=C(C=C1S(=O)(=O)NC(C)CCC(=O)[O-])OCC(=O)N2	REAL300010981401	0	41	-1.0	-48.68	354.10	0.82	-47.86
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010981402	0	32	-2.0	-97.65	319.93	4.76	-92.89
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F	REAL300010981402	1	33	-1.0	-48.06	312.45	4.48	-43.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010981403	0	33	-1.0	-46.03	321.65	4.84	-41.19
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F	REAL300010981403	1	32	-2.0	-94.60	316.19	4.64	-89.96
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010981404	0	31	-1.0	-47.77	299.76	4.90	-42.87
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl	REAL300010981404	1	30	-2.0	-98.37	300.06	4.92	-93.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300010981405	0	32	-1.0	-52.41	300.43	2.10	-50.31
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1F	REAL300010981406	0	31	-1.0	-52.04	288.65	3.91	-48.13
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1OC	REAL300010981407	0	41	-1.0	-52.72	355.29	4.33	-48.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1Br	REAL300010981408	0	31	-1.0	-46.16	305.80	4.86	-41.30
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300010981409	0	34	-1.0	-47.95	315.28	4.93	-43.02
CC(=O)NC1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981410	0	34	-1.0	-57.23	321.08	1.24	-55.99
CC(=O)[N-]C1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981410	1	33	-2.0	-100.56	317.75	0.10	-100.46
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300010981411	0	34	-1.0	-47.89	319.84	5.03	-42.86
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1	REAL300010981412	0	35	-1.0	-52.48	326.50	0.98	-51.50
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981413	0	40	-1.0	-57.08	340.28	6.05	-51.03
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981414	0	39	-1.0	-54.92	330.17	2.13	-52.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1	REAL300010981415	0	35	-1.0	-52.26	331.07	1.08	-51.18
CCOC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981416	0	38	-1.0	-52.00	324.60	3.85	-48.15
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300010981417	0	42	-1.0	-50.08	346.65	5.16	-44.92
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1	REAL300010981418	0	35	-1.0	-51.54	329.88	4.80	-46.74
COCCN(CCC#N)S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981419	0	40	-1.0	-47.32	332.02	2.01	-45.31
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981420	0	38	-1.0	-54.31	342.45	4.19	-50.12
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300010981421	0	34	-1.0	-53.66	286.52	2.09	-51.57
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C#N	REAL300010981422	0	32	-1.0	-55.52	315.15	4.56	-50.96
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1C#N	REAL300010981423	0	32	-1.0	-53.48	313.69	4.55	-48.93
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981424	0	37	-1.0	-45.16	325.35	5.37	-39.79
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981425	0	48	-1.0	-55.10	410.06	3.34	-51.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O	REAL300010981426	0	37	-1.0	-50.11	334.75	5.22	-44.89
COCCOCCOCCS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981427	0	45	-1.0	-55.39	380.98	0.92	-54.47
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981428	0	41	-1.0	-61.52	350.55	1.02	-60.50
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010981429	0	30	-2.0	-107.42	292.41	4.39	-103.03
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F	REAL300010981429	1	31	-1.0	-52.58	295.20	4.47	-48.11
CC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2CC1	REAL300010981430	0	48	-1.0	-52.82	388.43	5.67	-47.15
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300010981431	0	40	-1.0	-52.38	358.15	5.09	-47.29
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1OC	REAL300010981432	0	41	-1.0	-50.15	368.61	5.27	-44.88
CCCC1=CC=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981433	0	40	-1.0	-47.60	350.37	6.42	-41.18
CC(C)C1=CC=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981434	0	40	-1.0	-47.34	346.20	6.13	-41.21
CNC(=O)C1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981435	0	41	-1.0	-59.86	352.74	2.60	-57.26
COC1=C(C(=O)N(C)C)C=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981436	0	45	-1.0	-53.92	373.20	4.93	-48.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010981437	0	31	-1.0	-50.67	284.83	3.83	-46.84
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CC=C1F	REAL300010981437	1	30	-2.0	-105.39	292.27	4.11	-101.28
CC(CCC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300010981438	0	44	-1.0	-49.49	375.57	5.27	-44.22
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010981439	0	40	-1.0	-46.88	370.14	5.77	-41.11
CCOC(=O)C1=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(F)C=C1Cl	REAL300010981439	1	39	-2.0	-100.96	364.69	5.57	-95.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010981440	0	33	-1.0	-45.92	319.36	5.42	-40.50
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl	REAL300010981440	1	32	-2.0	-101.36	317.59	5.38	-95.98
CC(CCC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300010981441	0	40	-1.0	-54.53	335.92	0.88	-53.65
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981442	0	38	-2.0	-104.46	337.84	5.01	-99.45
CNC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1OC	REAL300010981443	0	42	-1.0	-53.89	370.28	3.44	-50.45
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010981444	0	43	-1.0	-50.71	371.94	5.82	-44.89
COCCNC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981445	0	45	-1.0	-58.88	384.81	1.82	-57.06
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981446	0	42	-1.0	-54.66	344.94	3.22	-51.44
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981447	0	44	-1.0	-57.13	366.37	5.08	-52.05
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1C	REAL300010981448	0	43	-1.0	-51.29	365.89	5.73	-45.56
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300010981449	0	34	-1.0	-47.53	311.06	5.05	-42.48
CCOC(=O)CC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981450	0	43	-1.0	-56.12	372.09	5.99	-50.13
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981451	0	37	-1.0	-52.48	346.44	6.32	-46.16
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981451	1	36	-2.0	-109.05	343.45	6.26	-102.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F	REAL300010981452	0	34	-1.0	-46.40	308.32	4.95	-41.45
CC(COC1CCCC1)CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981453	0	47	-1.0	-46.84	375.61	5.07	-41.77
CC1=C(CCS(=O)(=O)NC(C)CCC(=O)[O-])SC=N1	REAL300010981454	0	36	-1.0	-49.48	323.57	2.93	-46.55
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300010981455	0	37	-1.0	-48.84	336.77	5.72	-43.12
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981456	0	40	-1.0	-54.36	344.60	4.87	-49.49
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300010981457	0	41	-1.0	-48.56	349.46	7.11	-41.45
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981458	0	45	-1.0	-53.30	394.40	1.49	-51.81
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300010981459	0	34	-1.0	-53.53	313.04	4.88	-48.65
CCOC(=O)C(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN1C	REAL300010981460	0	43	-1.0	-54.30	375.36	4.85	-49.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1	REAL300010981461	0	37	-1.0	-57.10	343.73	1.55	-55.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F	REAL300010981462	0	35	-1.0	-53.57	320.61	4.49	-49.08
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300010981463	0	34	-1.0	-48.83	307.44	4.57	-44.26
CC1=NC(Cl)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981464	0	33	-1.0	-48.26	301.71	3.03	-45.23
CC1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(Br)N1C	REAL300010981465	0	34	-1.0	-54.91	313.26	2.96	-51.95
CC1=NC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(Br)N1C	REAL300010981465	1	33	-2.0	-113.73	311.51	3.02	-110.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1	REAL300010981466	0	32	-1.0	-49.13	296.68	2.46	-46.67
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981467	0	44	-1.0	-60.23	365.42	4.46	-55.77
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-]	REAL300010981468	0	34	-2.0	-90.42	306.96	3.26	-87.16
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O	REAL300010981468	1	35	-1.0	-51.32	322.87	2.38	-48.94
CCOC(=O)CC1(S(=O)(=O)NC(C)CCC(=O)[O-])CC1	REAL300010981469	0	40	-1.0	-52.45	328.33	4.97	-47.48
CC(CCC(=O)[O-])NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010981470	0	48	-1.0	-56.67	419.69	4.12	-52.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010981471	0	32	-1.0	-45.57	321.48	4.68	-40.89
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F	REAL300010981471	1	31	-2.0	-97.43	316.00	4.50	-92.93
COC1=CC(NC(C)=O)=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981472	0	42	-1.0	-54.65	374.54	3.15	-51.50
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(=O)OC(C)C	REAL300010981473	0	46	-1.0	-51.33	386.13	6.44	-44.89
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981474	0	43	-1.0	-56.23	378.95	2.91	-53.32
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1	REAL300010981475	0	36	-1.0	-53.26	319.70	0.83	-52.43
COC(=O)C1(CS(=O)(=O)NC(C)CCC(=O)[O-])CCCC1	REAL300010981476	0	43	-1.0	-59.43	347.26	4.68	-54.75
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1	REAL300010981477	0	30	-1.0	-47.14	304.60	2.81	-44.33
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981478	0	38	-1.0	-46.19	347.09	3.92	-42.27
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1C(F)(F)F	REAL300010981479	0	37	-1.0	-48.51	327.64	5.13	-43.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300010981480	0	42	-1.0	-47.26	380.67	7.06	-40.20
COC(=O)CC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981481	0	40	-1.0	-56.32	350.22	5.06	-51.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300010981482	0	33	-1.0	-51.32	306.67	3.26	-48.06
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300010981483	0	37	-1.0	-53.36	333.95	5.55	-47.81
COC(=O)C1(CS(=O)(=O)NC(C)CCC(=O)[O-])CCC1	REAL300010981484	0	40	-1.0	-49.75	333.94	4.09	-45.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300010981485	0	31	-1.0	-48.60	305.66	3.84	-44.76
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1C#N	REAL300010981486	0	35	-1.0	-56.30	320.97	4.60	-51.70
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1I	REAL300010981487	0	34	-1.0	-49.99	318.56	5.25	-44.74
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981488	0	44	-1.0	-49.10	385.13	4.06	-45.04
CCOC(=O)C1=CC(COC)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981489	0	47	-1.0	-48.89	406.99	4.99	-43.90
COC(=O)C1(CS(=O)(=O)NC(C)CCC(=O)[O-])CCCCC1	REAL300010981490	0	46	-1.0	-49.79	361.30	5.20	-44.59
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN=C1C	REAL300010981491	0	39	-1.0	-48.54	341.56	3.05	-45.49
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F	REAL300010981492	0	35	-1.0	-51.52	313.86	3.11	-48.41
CCOC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981493	0	40	-1.0	-47.11	368.66	5.79	-41.32
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C(F)=C1	REAL300010981494	0	32	-1.0	-50.88	299.92	4.05	-46.83
CC(CCC(=O)[O-])NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O	REAL300010981495	0	47	-1.0	-55.48	407.89	5.58	-49.90
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl	REAL300010981496	0	33	-1.0	-49.14	323.16	3.45	-45.69
CC(CCC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300010981497	0	44	-1.0	-53.22	329.92	5.62	-47.60
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300010981498	0	40	-1.0	-48.52	340.04	5.30	-43.22
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21	REAL300010981499	0	32	-1.0	-48.87	302.07	3.13	-45.74
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C(F)F)C=C1	REAL300010981500	0	37	-1.0	-55.92	328.43	5.19	-50.73
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010981501	0	34	-1.0	-54.90	308.89	2.52	-52.38
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300010981501	1	33	-2.0	-105.69	310.03	2.42	-103.27
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010981502	0	33	-1.0	-49.46	313.62	5.61	-43.85
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-]	REAL300010981502	1	32	-2.0	-102.22	311.15	5.66	-96.56
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(F)C=C1C	REAL300010981503	0	40	-1.0	-50.96	350.10	4.89	-46.07
CC1=CC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C2N=C1Cl	REAL300010981504	0	39	-1.0	-51.50	349.68	5.02	-46.48
CC(CCC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300010981505	0	40	-1.0	-51.42	326.07	4.78	-46.64
CC(CCC(=O)[O-])NS(=O)(=O)CCOCC1=CC=CC=C1	REAL300010981506	0	41	-1.0	-49.45	354.07	4.48	-44.97
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C(C)C)=C1	REAL300010981507	0	58	-1.0	-49.31	434.65	9.69	-39.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12	REAL300010981508	0	36	-1.0	-53.82	329.01	4.72	-49.10
CCOC(=O)C1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981509	0	43	-1.0	-56.70	372.93	5.91	-50.79
COC(=O)C1=NC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981510	0	36	-1.0	-54.38	311.55	3.30	-51.08
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981511	0	38	-1.0	-47.41	343.48	4.00	-43.41
COC1=CC=C2C=C(S(=O)(=O)NC(C)CCC(=O)[O-])CCC2=C1	REAL300010981512	0	43	-1.0	-51.58	358.62	5.38	-46.20
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CC2)C=C1	REAL300010981513	0	39	-1.0	-47.79	335.76	4.66	-43.13
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010981514	0	34	-1.0	-50.19	310.45	4.15	-46.04
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300010981514	1	33	-2.0	-103.38	306.22	3.99	-99.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010981515	0	34	-1.0	-48.01	321.31	5.48	-42.53
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1	REAL300010981515	1	33	-2.0	-109.01	321.33	5.59	-103.42
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981516	0	45	-1.0	-59.58	401.02	2.08	-57.50
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981516	1	44	-2.0	-110.47	394.31	2.27	-108.20
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C(F)=C1	REAL300010981517	0	34	-1.0	-47.65	325.56	5.08	-42.57
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300010981518	0	40	-1.0	-57.18	359.24	1.93	-55.25
CC1=CC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2C=C1	REAL300010981519	0	40	-1.0	-51.42	340.56	6.56	-44.86
COC(=O)C1=CC(Cl)=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981520	0	40	-1.0	-51.64	357.50	5.60	-46.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1	REAL300010981521	0	46	-1.0	-57.23	396.88	4.26	-52.97
CC(C)C(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981522	0	44	-1.0	-53.34	371.75	4.06	-49.28
CC(CCC(=O)[O-])NS(=O)(=O)CC1=C(F)C=CC=C1Cl	REAL300010981523	0	34	-1.0	-50.14	317.43	4.90	-45.24
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1	REAL300010981524	0	37	-1.0	-53.02	324.81	5.95	-47.07
CCC1=CC(CC)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(CC)=C1	REAL300010981525	0	49	-1.0	-49.42	374.71	8.29	-41.13
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C12	REAL300010981526	0	50	-1.0	-51.87	414.77	4.39	-47.48
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300010981527	0	38	-1.0	-55.67	329.26	3.37	-52.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1	REAL300010981528	0	33	-1.0	-51.27	321.41	3.54	-47.73
COC1=CC(OC)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981529	0	39	-1.0	-53.37	348.24	3.34	-50.03
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300010981530	0	39	-1.0	-51.81	344.43	2.15	-49.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300010981531	0	36	-1.0	-56.84	327.40	-1.42	-58.26
CC(CCC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300010981532	0	42	-1.0	-60.55	348.03	0.83	-59.72
COC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1Cl	REAL300010981533	0	35	-1.0	-49.36	318.74	3.48	-45.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2	REAL300010981534	0	34	-1.0	-52.65	299.74	0.82	-51.83
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981535	0	44	-1.0	-55.86	370.28	4.74	-51.12
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300010981536	0	40	-1.0	-47.62	347.27	6.74	-40.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300010981537	0	35	-1.0	-51.23	318.84	3.78	-47.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300010981538	0	35	-1.0	-51.01	329.17	4.23	-46.78
COC(=O)CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981539	0	40	-1.0	-55.46	355.68	5.11	-50.35
COC(CC1=CC=CC=C1)CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981540	0	44	-1.0	-49.46	366.49	5.66	-43.80
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981541	0	35	-1.0	-52.94	296.26	3.58	-49.36
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1Cl	REAL300010981542	0	34	-1.0	-52.75	331.05	5.39	-47.36
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC=C1Br	REAL300010981543	0	34	-1.0	-52.26	329.70	5.40	-46.86
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1	REAL300010981544	0	34	-1.0	-49.19	312.84	2.72	-46.47
CCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300010981545	0	39	-1.0	-53.53	335.63	5.45	-48.08
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981546	0	47	-1.0	-53.51	366.13	5.83	-47.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300010981547	0	38	-1.0	-49.77	350.67	6.07	-43.70
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(CC#N)C=C1	REAL300010981548	0	38	-1.0	-58.96	338.51	5.49	-53.47
COC1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981549	0	34	-1.0	-47.48	318.56	0.90	-46.58
CCOC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981550	0	40	-1.0	-52.19	357.62	5.38	-46.81
COC(=O)C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981551	0	40	-1.0	-47.52	368.74	5.34	-42.18
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300010981552	0	34	-1.0	-53.71	312.99	4.84	-48.87
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1Cl	REAL300010981553	0	34	-1.0	-48.75	308.73	4.72	-44.03
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300010981554	0	37	-1.0	-57.54	321.38	4.61	-52.93
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2)=N1	REAL300010981555	0	40	-1.0	-49.14	361.49	5.17	-43.97
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1F	REAL300010981556	0	37	-1.0	-52.62	337.69	4.43	-48.19
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981556	1	36	-2.0	-109.73	345.16	4.72	-105.01
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981557	0	40	-1.0	-54.47	355.02	4.99	-49.48
CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981558	0	38	-1.0	-48.18	326.61	3.92	-44.26
CC1=C(Br)C=CC=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981559	0	37	-1.0	-53.66	328.69	5.49	-48.17
CC(CCC(=O)[O-])NS(=O)(=O)CCCC1CCOCC1	REAL300010981560	0	44	-1.0	-47.80	353.46	3.76	-44.04
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1	REAL300010981561	0	46	-1.0	-51.75	387.90	1.43	-50.32
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300010981562	0	39	-1.0	-49.54	327.21	4.99	-44.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300010981563	0	38	-1.0	-58.36	338.38	1.48	-56.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(F)=C1	REAL300010981564	0	31	-1.0	-48.61	295.81	4.19	-44.42
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])SC(Br)=C1	REAL300010981565	0	31	-1.0	-44.21	305.90	4.28	-39.93
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300010981566	0	40	-1.0	-52.02	323.68	3.97	-48.05
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981567	0	41	-1.0	-53.74	348.45	2.62	-51.12
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C(F)C=C1	REAL300010981568	0	37	-1.0	-48.73	326.46	5.28	-43.45
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1F	REAL300010981569	0	37	-1.0	-54.48	323.32	5.13	-49.35
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Cl	REAL300010981570	0	37	-1.0	-53.54	330.44	5.48	-48.06
COC1=CC(F)=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981571	0	35	-1.0	-44.52	330.40	4.25	-40.27
COC1=CC2=C(C=C1S(=O)(=O)NC(C)CCC(=O)[O-])C(=O)NCCC2	REAL300010981572	0	46	-1.0	-61.30	378.68	2.52	-58.78
CC(=O)N1CCC2=C(C=C(S(=O)(=O)NC(C)CCC(=O)[O-])S2)C1	REAL300010981573	0	42	-1.0	-49.90	367.25	4.24	-45.66
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])SC2=CC=C(C#N)C=C12	REAL300010981574	0	38	-1.0	-52.05	347.73	6.27	-45.78
COC(CS(=O)(=O)NC(C)CCC(=O)[O-])C1CCOC1	REAL300010981575	0	42	-1.0	-48.54	339.43	1.52	-47.02
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Br	REAL300010981576	0	34	-1.0	-52.54	319.36	4.96	-47.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010981577	0	35	-1.0	-50.16	331.73	1.19	-48.97
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F	REAL300010981577	1	34	-2.0	-100.98	326.28	1.00	-99.98
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300010981578	0	34	-1.0	-52.99	316.14	4.84	-48.15
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1	REAL300010981579	0	31	-1.0	-44.83	313.32	4.82	-40.01
CC1=CC(C(N)=O)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981580	0	38	-1.0	-52.37	331.18	1.13	-51.24
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981581	0	56	-1.0	-47.14	455.57	8.62	-38.52
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981582	0	46	-1.0	-55.46	385.13	6.04	-49.42
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981583	0	41	-1.0	-45.74	368.06	5.93	-39.81
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(F)=C1	REAL300010981584	0	31	-1.0	-48.49	300.22	4.29	-44.20
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981585	0	37	-1.0	-52.45	332.53	4.31	-48.14
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300010981586	0	45	-1.0	-52.22	381.39	6.68	-45.54
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300010981587	0	45	-1.0	-52.35	390.69	6.97	-45.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1Br	REAL300010981588	0	30	-1.0	-48.52	287.69	2.65	-45.87
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1Br	REAL300010981588	1	29	-2.0	-110.98	282.56	2.32	-108.66
CC1=COC(C2=CC=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C2)=N1	REAL300010981589	0	43	-1.0	-54.53	366.80	3.64	-50.89
COC(CS(=O)(=O)NC(C)CCC(=O)[O-])C1=CC=C(F)C=C1	REAL300010981590	0	41	-1.0	-53.88	354.32	4.71	-49.17
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2	REAL300010981591	0	43	-1.0	-51.64	359.19	5.12	-46.52
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])N(C)N=C1	REAL300010981592	0	37	-1.0	-48.62	320.53	2.71	-45.91
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Cl	REAL300010981593	0	39	-1.0	-50.70	354.20	2.47	-48.23
COC(=O)C1=CC=CC2=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=CC=C12	REAL300010981594	0	43	-1.0	-54.26	368.58	6.60	-47.66
COC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981595	0	42	-1.0	-53.77	357.92	2.71	-51.06
COC(=O)C1=CC(F)=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1F	REAL300010981596	0	37	-1.0	-52.81	327.36	3.99	-48.82
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981596	1	36	-2.0	-109.06	334.84	4.28	-104.78
CC(=O)N1CCC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(Cl)C=C21	REAL300010981597	0	42	-1.0	-58.39	366.82	5.28	-53.11
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981598	0	44	-1.0	-51.86	363.31	5.28	-46.58
COC(CS(=O)(=O)NC(C)CCC(=O)[O-])C1CCCC1	REAL300010981599	0	44	-1.0	-53.03	349.42	4.01	-49.02
COC(CS(=O)(=O)NC(C)CCC(=O)[O-])C1CCCCC1	REAL300010981600	0	47	-1.0	-53.54	364.18	4.63	-48.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300010981601	0	34	-1.0	-49.79	312.88	3.18	-46.61
CCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)C	REAL300010981602	0	50	-1.0	-50.08	404.72	6.67	-43.41
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010981603	0	34	-1.0	-52.80	325.95	3.56	-49.24
COC1=CC(F)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981604	0	35	-1.0	-46.54	309.75	3.66	-42.88
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300010981605	0	39	-1.0	-53.73	335.77	6.08	-47.65
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300010981606	0	38	-1.0	-47.79	319.34	3.48	-44.31
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300010981607	0	44	-1.0	-49.73	376.87	5.88	-43.85
COC(=O)C1=C(C)C=C(S(=O)(=O)NC(C)CCC(=O)[O-])O1	REAL300010981608	0	37	-1.0	-50.62	331.69	3.08	-47.54
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])O1	REAL300010981608	1	36	-2.0	-101.74	327.47	2.91	-98.83
CCC1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN1CC1CC1	REAL300010981609	0	44	-1.0	-56.02	368.18	5.48	-50.54
COC(=O)C1=CC=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981610	0	37	-1.0	-47.83	337.01	5.73	-42.10
CC(=O)N1CC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2C1	REAL300010981611	0	42	-1.0	-57.35	356.68	4.10	-53.25
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300010981612	0	34	-1.0	-46.98	316.57	2.39	-44.59
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300010981613	0	42	-1.0	-52.01	373.86	7.71	-44.30
CC1=CC(Br)=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981614	0	34	-1.0	-43.58	314.11	5.18	-38.40
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300010981615	0	41	-1.0	-53.97	340.31	7.03	-46.94
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300010981616	0	51	-1.0	-50.83	428.64	8.52	-42.31
CC1=CC=C(Br)C(CS(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981617	0	37	-1.0	-53.45	334.39	5.56	-47.89
COC1=CC=CC(Br)=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981618	0	38	-1.0	-51.15	343.48	4.34	-46.81
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=C(F)C=CC=C1F	REAL300010981619	0	37	-1.0	-54.80	328.39	5.15	-49.65
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1F	REAL300010981620	0	34	-1.0	-52.96	307.61	4.50	-48.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010981621	0	30	-1.0	-50.46	284.59	1.82	-48.64
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)N=C1F	REAL300010981621	1	29	-2.0	-101.81	292.01	2.21	-99.60
CC(C)OC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN=C1	REAL300010981622	0	40	-1.0	-49.01	337.75	2.66	-46.35
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OCC(F)F	REAL300010981623	0	37	-1.0	-58.09	335.32	2.07	-56.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1	REAL300010981624	0	38	-1.0	-57.57	348.74	2.92	-54.65
COC(=O)C1=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])OC=C1	REAL300010981625	0	33	-2.0	-113.09	303.42	2.93	-110.16
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])OC=C1	REAL300010981625	1	34	-1.0	-51.83	308.62	3.21	-48.62
CCC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C)C=C1OC	REAL300010981626	0	44	-1.0	-51.05	359.87	5.30	-45.75
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300010981627	0	37	-1.0	-46.10	346.48	5.57	-40.53
COC1=CC=CC(OC(F)(F)F)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981628	0	39	-1.0	-48.79	343.95	4.73	-44.06
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010981629	0	32	-2.0	-118.42	298.39	2.45	-115.97
CC(CCC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300010981629	1	33	-1.0	-53.77	301.39	2.78	-50.99
CC1=CC(Cl)=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981630	0	34	-1.0	-43.42	323.25	5.59	-37.83
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300010981631	0	40	-1.0	-48.60	325.29	6.78	-41.82
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F	REAL300010981632	0	38	-1.0	-50.86	345.58	3.56	-47.30
CC1=CC2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C2NC1=O	REAL300010981633	0	40	-1.0	-53.84	344.27	3.36	-50.48
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C	REAL300010981634	0	36	-1.0	-54.25	317.15	2.09	-52.16
CC1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C2=CC=CC=C2)S1	REAL300010981635	0	40	-1.0	-54.09	355.64	5.29	-48.80
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010981636	0	31	-1.0	-53.54	286.62	1.21	-52.33
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CNN=C1C(F)(F)F	REAL300010981636	1	30	-2.0	-104.38	285.71	1.06	-103.32
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(F)C=C1[N+](=O)[O-]	REAL300010981637	0	36	-1.0	-49.15	314.99	4.62	-44.53
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1	REAL300010981638	0	37	-1.0	-46.37	324.08	4.73	-41.64
CC(CCC(=O)[O-])NS(=O)(=O)CCCN1CC[NH+](C)CC1	REAL300010981639	0	48	0.0	-79.08	374.30	2.83	-76.25
CC(CCC(=O)[O-])NS(=O)(=O)CCCN1CCN(C)CC1	REAL300010981639	1	47	-1.0	-54.21	370.23	0.32	-53.89
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)N(C)N=C1	REAL300010981640	0	31	-1.0	-49.89	281.86	1.17	-48.72
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(I)N(C)N=C1	REAL300010981641	0	31	-1.0	-44.94	301.52	2.20	-42.74
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981642	0	35	-1.0	-53.97	312.32	4.99	-48.98
CC(C)OC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=N1	REAL300010981643	0	40	-1.0	-49.57	342.45	2.18	-47.39
CCCCN1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=N1	REAL300010981644	0	43	-1.0	-51.56	364.60	4.36	-47.20
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(OC)C=C1F	REAL300010981645	0	41	-1.0	-48.16	362.55	4.26	-43.90
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981646	0	41	-1.0	-50.88	345.12	4.40	-46.48
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981647	0	35	-1.0	-50.77	309.15	3.72	-47.05
CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)C	REAL300010981648	0	47	-1.0	-50.36	383.23	5.87	-44.49
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300010981649	0	43	-1.0	-49.86	351.44	5.87	-43.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C#N)=C1	REAL300010981650	0	32	-1.0	-47.38	302.52	4.16	-43.22
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(F)C=C1Cl	REAL300010981651	0	34	-1.0	-53.10	316.15	4.84	-48.26
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300010981652	0	50	-1.0	-48.13	400.40	8.23	-39.90
CC1=NN2C=C(Br)C=NC2=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981653	0	36	-1.0	-53.50	336.44	3.61	-49.89
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)NC=N1	REAL300010981654	0	28	-1.0	-50.80	272.60	1.60	-49.20
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)NC=N1	REAL300010981654	1	27	-2.0	-111.05	270.50	1.48	-109.57
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=NOC2=CC=CC=C21	REAL300010981655	0	39	-1.0	-57.13	341.11	4.45	-52.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010981656	0	30	-1.0	-47.11	298.58	2.85	-44.26
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl	REAL300010981656	1	29	-2.0	-98.76	295.08	2.74	-96.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010981657	0	30	-1.0	-50.58	280.00	1.75	-48.83
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Cl)N=C1F	REAL300010981657	1	29	-2.0	-101.63	287.41	2.14	-99.49
COC1=NC=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981658	0	34	-1.0	-49.60	309.06	1.39	-48.21
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1	REAL300010981659	0	36	-1.0	-51.48	330.73	4.54	-46.94
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1	REAL300010981660	0	33	-1.0	-47.01	314.97	3.57	-43.44
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1	REAL300010981661	0	41	-1.0	-53.48	350.75	4.30	-49.18
CC(CCC(=O)[O-])NS(=O)(=O)CC1(C)CC1(Cl)Cl	REAL300010981662	0	34	-1.0	-51.08	314.23	4.45	-46.63
CC(CCC(=O)[O-])NS(=O)(=O)CC1=C(Br)SC=N1	REAL300010981663	0	30	-1.0	-54.27	300.75	1.96	-52.31
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1	REAL300010981664	0	33	-1.0	-50.44	328.78	3.79	-46.65
CCS(=O)(CC)=NS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981665	0	37	-1.0	-66.19	320.58	1.38	-64.81
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C([N+](=O)[O-])S1	REAL300010981666	0	33	-1.0	-53.81	308.01	4.92	-48.89
CC(CCC(=O)[O-])NS(=O)(=O)C1CC(=O)N(C2CC2)C1	REAL300010981667	0	39	-1.0	-54.66	322.44	2.84	-51.82
CCOC(=O)C1(S(=O)(=O)NC(C)CCC(=O)[O-])CCC1	REAL300010981668	0	40	-1.0	-51.53	332.08	4.36	-47.17
CC(CCC(=O)[O-])NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1	REAL300010981669	0	42	-1.0	-53.40	360.39	0.28	-53.12
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1	REAL300010981670	0	32	-1.0	-49.79	318.26	2.77	-47.02
COC(=O)C1=CC=C(CS(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981671	0	40	-1.0	-56.96	351.07	4.99	-51.97
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010981672	0	33	-2.0	-109.13	317.62	4.67	-104.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1	REAL300010981672	1	34	-1.0	-49.17	324.07	4.90	-44.27
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010981673	0	34	-1.0	-49.98	307.51	2.39	-47.59
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1	REAL300010981673	1	33	-2.0	-101.33	303.20	2.17	-99.16
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300010981674	0	41	-1.0	-49.00	331.57	3.75	-45.25
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010981675	0	28	-1.0	-49.97	283.74	3.21	-46.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300010981676	0	43	-1.0	-54.12	340.41	3.72	-50.40
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300010981677	0	41	-1.0	-51.06	340.76	3.94	-47.12
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300010981678	0	34	-1.0	-47.82	305.92	2.52	-45.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1Br	REAL300010981679	0	31	-1.0	-52.89	283.55	1.21	-51.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1	REAL300010981680	0	33	-1.0	-48.57	309.45	2.92	-45.65
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981681	0	38	-1.0	-55.22	330.84	3.77	-51.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1	REAL300010981682	0	45	-1.0	-56.48	381.15	4.93	-51.55
C=CCCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981683	0	41	-1.0	-46.91	352.48	6.49	-40.42
COC(=O)C1=CNN=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981684	0	34	-1.0	-53.51	303.58	1.25	-52.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981684	1	33	-2.0	-120.19	302.31	1.12	-119.07
CC1=CC(Br)=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981685	0	34	-1.0	-43.46	323.24	5.59	-37.87
CC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981686	0	36	-1.0	-55.44	318.23	4.09	-51.35
CC(CCC(=O)[O-])NS(=O)(=O)N=S(C)(=O)C(C)(C)C	REAL300010981687	0	40	-1.0	-64.64	339.74	1.83	-62.81
CCCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)C	REAL300010981688	0	53	-1.0	-49.90	426.22	7.45	-42.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1	REAL300010981689	0	34	-1.0	-50.71	309.88	4.52	-46.19
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2	REAL300010981690	0	42	-1.0	-55.23	363.21	4.35	-50.88
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300010981691	0	35	-1.0	-47.13	325.12	5.45	-41.68
CCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)(C)C	REAL300010981692	0	53	-1.0	-50.03	417.28	7.34	-42.69
CCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1CC	REAL300010981693	0	47	-1.0	-49.98	387.76	6.13	-43.85
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC#N)C=C1	REAL300010981694	0	38	-1.0	-51.60	339.03	5.66	-45.94
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981695	0	37	-1.0	-47.53	316.64	5.65	-41.88
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981696	0	45	-1.0	-61.94	362.29	3.35	-58.59
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1Br	REAL300010981697	0	34	-1.0	-48.08	330.09	5.43	-42.65
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1Br	REAL300010981698	0	34	-1.0	-48.68	320.96	5.02	-43.66
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1	REAL300010981699	0	41	-1.0	-59.38	354.62	5.52	-53.86
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981700	0	37	-1.0	-53.15	333.35	5.51	-47.64
CC1=CN=C(Cl)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981701	0	33	-1.0	-52.00	307.09	3.13	-48.87
COC1=CC=C(Br)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1F	REAL300010981702	0	35	-1.0	-54.80	321.70	3.84	-50.96
COC1=CC=C(Br)C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1F	REAL300010981702	1	34	-2.0	-112.74	318.99	3.77	-108.97
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981703	0	41	-1.0	-54.52	348.23	5.84	-48.68
CCOC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])N(C)N=C1	REAL300010981704	0	40	-1.0	-48.41	342.39	3.64	-44.77
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300010981705	0	35	-1.0	-48.45	322.63	5.36	-43.09
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300010981706	0	36	-1.0	-51.22	306.58	0.77	-50.45
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C(C(N)=O)O1	REAL300010981707	0	35	-1.0	-47.94	314.26	-0.79	-48.73
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010981708	0	43	-1.0	-55.58	378.89	5.28	-50.30
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981709	0	44	-1.0	-48.06	373.01	4.36	-43.70
CC(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1CCCC2	REAL300010981710	0	40	-1.0	-50.69	336.91	4.43	-46.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)F	REAL300010981711	0	31	-1.0	-46.42	280.53	3.52	-42.90
COC(=O)C1=CC=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981712	0	36	-1.0	-50.95	326.24	2.48	-48.47
CC(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC(F)=C1	REAL300010981713	0	37	-1.0	-49.65	326.45	5.28	-44.37
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981714	0	47	-1.0	-52.06	387.34	6.34	-45.72
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300010981715	0	36	-1.0	-53.55	309.76	4.11	-49.44
CC(=O)N1CCC(C)(C)C2=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C21	REAL300010981716	0	51	-1.0	-58.84	401.80	6.13	-52.71
COC(=O)C1=CN(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981717	0	38	-1.0	-56.84	326.54	3.53	-53.31
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1	REAL300010981718	0	45	-1.0	-52.61	368.86	3.70	-48.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1	REAL300010981719	0	46	-1.0	-56.90	385.93	6.36	-50.54
CCC(=O)N1CCC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C21	REAL300010981720	0	45	-1.0	-63.82	374.08	5.57	-58.25
CC(CCC(=O)[O-])NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300010981721	0	38	-2.0	-98.59	320.67	3.39	-95.20
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2)C=C1	REAL300010981722	0	46	-1.0	-48.84	404.14	7.57	-41.27
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300010981723	0	38	-1.0	-49.19	326.02	3.40	-45.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300010981724	0	38	-1.0	-53.18	321.20	3.43	-49.75
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300010981725	0	41	-1.0	-47.70	337.67	4.47	-43.23
COC(=O)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010981726	0	43	-1.0	-53.07	368.14	6.63	-46.44
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981727	0	44	-1.0	-57.70	379.25	5.03	-52.67
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981728	0	41	-1.0	-52.17	345.02	4.40	-47.77
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300010981729	0	42	-1.0	-50.37	344.64	1.86	-48.51
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300010981730	0	37	-1.0	-50.76	339.94	4.57	-46.19
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)COC2=C1	REAL300010981731	0	37	-1.0	-53.33	323.99	0.85	-52.48
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=CO1	REAL300010981732	0	27	-2.0	-103.99	271.80	2.22	-101.77
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=CO1	REAL300010981732	1	28	-1.0	-47.50	277.15	2.48	-45.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300010981733	0	38	-1.0	-50.94	313.44	3.70	-47.24
COC1=C(F)C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981734	0	35	-1.0	-48.56	319.15	3.17	-45.39
COC1=CC(F)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1F	REAL300010981735	0	35	-1.0	-46.69	316.75	3.16	-43.53
CCCCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)C	REAL300010981736	0	56	-1.0	-49.87	447.72	8.23	-41.64
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981737	0	47	-1.0	-51.38	375.55	5.68	-45.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981738	0	41	-1.0	-52.87	348.58	5.05	-47.82
CCOCCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(C)C	REAL300010981739	0	54	-1.0	-52.14	438.65	6.09	-46.05
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300010981740	0	39	-1.0	-56.32	334.53	4.33	-51.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300010981741	0	39	-1.0	-49.57	341.82	3.33	-46.24
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2(C#N)CC2)C=C1	REAL300010981742	0	39	-1.0	-54.68	341.51	5.83	-48.85
COC1=C(F)C=CC(F)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981743	0	35	-1.0	-52.28	309.88	4.19	-48.09
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981743	1	34	-2.0	-109.01	306.46	4.21	-104.80
CC1=C(Br)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C)S1	REAL300010981744	0	34	-1.0	-44.73	317.37	5.01	-39.72
CC1=CC(Cl)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(Br)=C1	REAL300010981745	0	34	-1.0	-46.30	320.34	5.70	-40.60
COC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=N1	REAL300010981746	0	36	-1.0	-53.36	324.16	2.47	-50.89
COC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1Br	REAL300010981747	0	37	-1.0	-55.30	343.59	5.00	-50.30
CC(=O)N1CCC(C)C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C21	REAL300010981748	0	48	-1.0	-57.24	383.73	5.66	-51.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300010981749	0	37	-1.0	-53.21	326.04	4.24	-48.97
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C21	REAL300010981750	0	45	-1.0	-62.90	372.84	5.26	-57.64
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=NN1C	REAL300010981751	0	31	-1.0	-47.58	295.32	1.72	-45.86
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)(F)F)=C1	REAL300010981752	0	33	-1.0	-48.32	307.11	2.76	-45.56
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981753	0	36	-1.0	-59.17	314.04	3.03	-56.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300010981754	0	35	-1.0	-51.34	330.44	4.28	-47.06
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Cl)C=C12	REAL300010981755	0	34	-1.0	-53.15	321.39	3.45	-49.70
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300010981756	0	34	-1.0	-48.32	314.66	5.15	-43.17
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300010981757	0	38	-1.0	-52.72	324.70	3.35	-49.37
CC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C)=C1F	REAL300010981758	0	40	-1.0	-45.08	327.61	5.98	-39.10
COC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1OC	REAL300010981759	0	39	-1.0	-52.50	332.15	3.50	-49.00
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCNC(=O)C2=C1	REAL300010981760	0	40	-1.0	-55.36	343.56	0.91	-54.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C#N)=C1	REAL300010981761	0	32	-1.0	-50.40	313.73	4.52	-45.88
COC1=CC=C(F)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1OC	REAL300010981762	0	39	-1.0	-54.58	332.89	3.85	-50.73
COC(=O)C1=C(Br)OC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1	REAL300010981763	0	33	-2.0	-98.06	328.67	2.91	-95.15
COC(=O)C1=C(Br)OC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981763	1	34	-1.0	-49.19	332.93	3.08	-46.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010981764	0	28	-1.0	-48.43	293.27	3.84	-44.59
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300010981765	0	44	-1.0	-52.05	363.57	4.59	-47.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C#N)SC2=CC=CC=C21	REAL300010981766	0	35	-1.0	-53.70	322.60	5.45	-48.25
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300010981767	0	38	-1.0	-53.77	334.60	3.63	-50.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1F	REAL300010981768	0	33	-2.0	-97.46	296.46	3.85	-93.61
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300010981769	0	35	-1.0	-49.33	314.50	3.28	-46.05
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=C(Br)C=C21	REAL300010981770	0	35	-1.0	-55.25	316.62	3.70	-51.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010981771	0	34	-1.0	-50.74	303.23	2.86	-47.88
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=CC2=C1OCO2	REAL300010981771	1	33	-2.0	-112.63	299.47	2.72	-109.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300010981772	0	36	-1.0	-60.87	319.08	2.04	-58.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300010981773	0	31	-2.0	-89.50	300.97	3.33	-86.17
CC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1Br	REAL300010981774	0	37	-1.0	-44.53	326.57	5.70	-38.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300010981775	0	37	-1.0	-49.83	342.91	4.81	-45.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2C=COC2=C(F)C=C1	REAL300010981776	0	34	-1.0	-52.88	311.16	4.12	-48.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300010981777	0	41	-1.0	-53.41	349.74	4.14	-49.27
CC(CCC(=O)[O-])NS(=O)(=O)NCCC1=CC=CC=C1	REAL300010981778	0	39	-1.0	-51.61	334.37	3.75	-47.86
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981779	0	49	-1.0	-48.50	375.66	7.04	-41.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300010981780	0	37	-1.0	-50.40	344.42	5.50	-44.90
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300010981781	0	41	-1.0	-52.97	349.96	4.35	-48.62
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300010981782	0	35	-1.0	-55.65	304.37	4.66	-50.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300010981783	0	42	-1.0	-53.10	358.33	6.45	-46.65
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C(N)=O)C=C1	REAL300010981784	0	44	-1.0	-54.03	365.09	2.10	-51.93
COC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300010981785	0	40	-1.0	-55.85	338.93	5.09	-50.76
COC(=O)C1=NN(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981786	0	37	-1.0	-50.93	329.65	1.94	-48.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C#N	REAL300010981787	0	32	-1.0	-54.10	298.82	4.00	-50.10
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300010981788	0	38	-1.0	-50.12	318.96	3.22	-46.90
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1	REAL300010981789	0	35	-1.0	-47.09	331.72	5.04	-42.05
COC(=O)C1=CC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2C=C1	REAL300010981790	0	43	-1.0	-52.93	373.95	6.54	-46.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)CC(F)(F)F)=C1	REAL300010981791	0	40	-1.0	-52.89	362.29	6.22	-46.67
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300010981792	0	40	-1.0	-47.82	317.79	3.54	-44.28
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300010981793	0	40	-1.0	-51.22	340.53	3.42	-47.80
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300010981794	0	38	-1.0	-50.08	322.77	2.68	-47.40
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CN=C1C(F)(F)F	REAL300010981795	0	36	-1.0	-49.08	326.27	3.51	-45.57
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300010981796	0	34	-1.0	-45.59	320.40	4.77	-40.82
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)SC=C1	REAL300010981797	0	31	-1.0	-48.19	291.95	4.03	-44.16
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=C1	REAL300010981798	0	31	-1.0	-49.00	305.00	3.76	-45.24
CC(CCC(=O)[O-])NS(=O)(=O)N1CCC(F)(F)CC1	REAL300010981799	0	36	-1.0	-46.45	293.69	2.59	-43.86
CC(=O)NCC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981800	0	41	-1.0	-52.17	357.16	2.72	-49.45
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)O1	REAL300010981801	0	28	-1.0	-49.26	278.68	2.44	-46.82
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(Br)O1	REAL300010981801	1	27	-2.0	-101.38	274.42	2.25	-99.13
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(Cl)=C1	REAL300010981802	0	34	-1.0	-48.50	325.11	5.04	-43.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)F	REAL300010981803	0	34	-1.0	-46.52	287.92	4.22	-42.30
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981804	0	42	-1.0	-57.64	357.85	5.65	-51.99
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300010981805	0	42	-1.0	-47.69	344.59	6.80	-40.89
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(=O)OC2(C)C	REAL300010981806	0	41	-1.0	-56.98	353.50	5.31	-51.67
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300010981807	0	37	-1.0	-50.10	337.10	4.71	-45.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1OC(F)F	REAL300010981808	0	36	-1.0	-53.26	333.24	4.14	-49.12
CC(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300010981809	0	38	-1.0	-52.90	327.84	2.06	-50.84
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981810	0	41	-1.0	-47.73	371.49	4.47	-43.26
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1Cl	REAL300010981811	0	31	-1.0	-45.17	307.26	4.83	-40.34
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300010981812	0	31	-1.0	-46.19	284.20	3.61	-42.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C(F)(F)F	REAL300010981813	0	34	-1.0	-47.38	298.52	4.53	-42.85
COC(=O)C1=C(C)SC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981814	0	37	-1.0	-48.39	342.06	4.09	-44.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1F	REAL300010981815	0	38	-1.0	-49.55	330.28	5.89	-43.66
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=NC=C2S1	REAL300010981816	0	33	-1.0	-46.54	330.15	3.95	-42.59
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300010981817	0	41	-1.0	-53.25	338.79	4.14	-49.11
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981818	0	40	-1.0	-47.84	334.59	3.58	-44.26
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981819	0	40	-1.0	-54.92	346.51	1.21	-53.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CS1	REAL300010981820	0	34	-1.0	-57.39	327.21	0.15	-57.24
CNC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981821	0	40	-1.0	-54.92	346.51	1.21	-53.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300010981822	0	34	-1.0	-53.08	297.98	5.15	-47.93
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981823	0	43	-1.0	-57.18	363.81	7.39	-49.79
CC(CCC(=O)[O-])NS(=O)(=O)N(C)C1CCCCCC1	REAL300010981824	0	45	-1.0	-50.57	340.82	4.69	-45.88
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010981825	0	31	-1.0	-49.52	298.12	2.93	-46.59
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)O1	REAL300010981825	1	30	-2.0	-100.09	293.89	2.75	-97.34
COC1=CC(F)=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981826	0	35	-1.0	-44.73	316.10	3.71	-41.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300010981827	0	45	-1.0	-53.85	374.63	2.85	-51.00
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300010981828	0	37	-1.0	-51.13	326.43	5.15	-45.98
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300010981829	0	35	-1.0	-51.98	312.53	3.20	-48.78
CC(CCC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300010981830	0	46	-1.0	-51.83	368.21	6.41	-45.42
CC1=CC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010981831	0	42	-1.0	-58.12	345.71	5.98	-52.14
CC(CCC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300010981832	0	39	-1.0	-49.73	317.95	3.33	-46.40
CCOCC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981833	0	41	-1.0	-52.24	350.20	4.31	-47.93
COC(=O)C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981834	0	40	-1.0	-49.11	349.98	5.72	-43.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010981835	0	34	-1.0	-48.65	335.10	5.73	-42.92
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300010981836	0	41	-1.0	-50.76	354.65	4.97	-45.79
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300010981837	0	44	-1.0	-48.78	362.49	4.66	-44.12
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010981838	0	34	-1.0	-47.68	324.86	5.60	-42.08
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2S1	REAL300010981838	1	33	-2.0	-107.93	324.80	5.72	-102.21
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300010981839	0	42	-1.0	-49.31	363.92	6.55	-42.76
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981840	0	43	-1.0	-49.62	360.50	6.60	-43.02
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC(C)=C1Br	REAL300010981841	0	37	-1.0	-48.75	330.99	5.37	-43.38
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010981842	0	36	-1.0	-50.75	334.54	5.13	-45.62
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl	REAL300010981842	1	35	-2.0	-108.37	332.81	5.07	-103.30
CC(CCC(=O)[O-])NS(=O)(=O)CC1=C(Cl)SC=N1	REAL300010981843	0	30	-1.0	-54.70	296.51	1.87	-52.83
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C#N)=C1F	REAL300010981844	0	32	-1.0	-55.63	288.43	3.68	-51.95
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC2=NON=C2C=C1	REAL300010981845	0	35	-1.0	-50.33	313.74	3.19	-47.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010981846	0	37	-1.0	-46.02	340.80	4.39	-41.63
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)N=C(Cl)S1	REAL300010981846	1	36	-2.0	-102.24	342.50	5.11	-97.13
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(F)C(Cl)=C1	REAL300010981847	0	30	-1.0	-47.41	290.93	2.26	-45.15
CC(CCC(=O)[O-])NS(=O)(=O)CCOC1(C#N)CCOCC1	REAL300010981848	0	43	-1.0	-55.83	356.59	1.33	-54.50
CCN1N=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1Cl	REAL300010981849	0	34	-1.0	-49.90	316.02	2.54	-47.36
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Br	REAL300010981850	0	35	-1.0	-48.38	326.65	5.45	-42.93
COC(=O)C1=CC2=C(S1)SC(S(=O)(=O)NC(C)CCC(=O)[O-])=C2	REAL300010981851	0	37	-1.0	-50.64	358.19	4.88	-45.76
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(Br)C=C1F	REAL300010981852	0	30	-2.0	-104.51	299.85	4.43	-100.08
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981853	0	33	-1.0	-50.81	303.63	2.42	-48.39
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981853	1	32	-2.0	-100.22	311.05	2.81	-97.41
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(F)C=CC2=CN=C(Cl)C=C21	REAL300010981854	0	36	-1.0	-53.09	332.94	4.93	-48.16
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=C(Cl)C=C21	REAL300010981855	0	36	-1.0	-56.11	327.51	4.65	-51.46
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981856	0	33	-1.0	-50.81	303.63	2.42	-48.39
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1F	REAL300010981856	1	32	-2.0	-100.22	311.05	2.81	-97.41
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300010981857	0	34	-1.0	-48.65	335.10	5.73	-42.92
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300010981858	0	40	-1.0	-53.21	333.03	6.54	-46.67
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981859	0	35	-1.0	-54.98	324.68	4.62	-50.36
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981859	1	34	-2.0	-113.60	321.90	4.50	-109.10
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCF)C=C1	REAL300010981860	0	38	-1.0	-50.35	333.16	4.06	-46.29
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C	REAL300010981861	0	45	-1.0	-49.33	379.86	5.22	-44.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010981862	0	31	-1.0	-49.50	302.02	4.26	-45.24
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC=C(F)C(Cl)=C1F	REAL300010981862	1	30	-2.0	-102.32	297.55	4.14	-98.18
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)NC(C)CCC(=O)[O-])O1	REAL300010981863	0	37	-1.0	-59.40	337.93	0.00	-59.40
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300010981864	0	41	-1.0	-54.22	348.73	5.08	-49.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NC(=O)C(F)(F)F)C=N1	REAL300010981865	0	37	-1.0	-54.06	345.49	1.10	-52.96
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010981866	0	35	-1.0	-47.55	314.80	5.00	-42.55
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300010981867	0	35	-1.0	-47.02	329.69	5.55	-41.47
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300010981868	0	35	-1.0	-47.13	329.68	5.56	-41.57
CC(CCC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300010981869	0	36	-1.0	-62.16	315.69	-2.43	-64.59
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300010981870	0	33	-1.0	-52.49	304.20	3.02	-49.47
CC1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010981871	0	40	-1.0	-51.78	348.02	3.31	-48.47
CC1=NC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300010981871	1	39	-2.0	-118.73	346.09	2.51	-116.22
CC(CCC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300010981872	0	48	-1.0	-53.56	349.50	6.48	-47.08
CC(CCC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300010981873	0	39	-1.0	-51.27	311.49	4.07	-47.20
CC(CCC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300010981874	0	39	-1.0	-63.21	342.98	0.42	-62.79
CC(CCC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300010981875	0	44	-1.0	-48.95	349.06	4.06	-44.89
CCOC(=O)C1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C2C=CC=CN12	REAL300010981876	0	43	-1.0	-58.71	375.60	5.71	-53.00
CC(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300010981877	0	35	-1.0	-58.56	320.48	2.64	-55.92
COC(=O)C1=CN2C=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=C2C=C1	REAL300010981878	0	40	-1.0	-56.72	355.52	5.59	-51.13
CC(CCC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300010981879	0	41	-1.0	-50.00	358.09	6.60	-43.40
CC(CCC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300010981880	0	40	-1.0	-50.22	327.24	1.15	-49.07
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981881	0	40	-1.0	-50.47	347.73	4.58	-45.89
CC(CCC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300010981882	0	44	-1.0	-46.65	342.13	5.70	-40.95
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300010981883	0	35	-1.0	-46.53	319.77	5.04	-41.49
COC(=O)C1CCCCN1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981884	0	42	-1.0	-48.42	339.02	4.57	-43.85
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300010981885	0	53	-1.0	-47.56	404.86	7.86	-39.70
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C#N)C([N+](=O)[O-])=C1	REAL300010981886	0	34	-1.0	-54.84	318.66	4.43	-50.41
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981887	0	42	-1.0	-51.48	343.95	4.45	-47.03
CC1=CC=CC(CNS(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981888	0	39	-1.0	-46.74	333.30	3.54	-43.20
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=NN1	REAL300010981889	0	37	-1.0	-48.25	335.80	1.56	-46.69
CCOC(=O)C1=N[N-]C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981889	1	36	-2.0	-99.74	329.82	1.52	-98.22
CCOC(=O)C1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=N[N-]1	REAL300010981889	1	36	-2.0	-99.74	330.04	1.52	-98.22
COC1=CSC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1OC	REAL300010981890	0	36	-1.0	-47.93	318.48	1.25	-46.68
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C(C)CCC(=O)[O-])=C1	REAL300010981891	0	33	-2.0	-97.53	324.60	2.81	-94.72
COC(=O)C1=C(Cl)OC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981891	1	34	-1.0	-49.36	328.86	2.97	-46.39
CC(CCC(=O)[O-])NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300010981892	0	43	-1.0	-50.47	331.61	4.15	-46.32
CC(CCC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300010981893	0	42	-1.0	-47.51	348.01	5.39	-42.12
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981894	0	35	-1.0	-51.43	322.04	4.71	-46.72
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981894	1	34	-2.0	-108.11	320.67	4.77	-103.34
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300010981895	0	35	-1.0	-51.72	323.52	4.43	-47.29
COC1=CC(F)=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(F)=C1	REAL300010981896	0	35	-1.0	-52.27	310.82	3.18	-49.09
COC1=CC(F)=C(S(=O)(=O)[N-]C(C)CCC(=O)[O-])C(F)=C1	REAL300010981896	1	34	-2.0	-109.02	308.03	3.11	-105.91
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300010981897	0	35	-1.0	-52.41	318.73	3.27	-49.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300010981898	0	37	-1.0	-50.27	317.86	3.53	-46.74
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1C(F)(F)F	REAL300010981899	0	34	-1.0	-53.35	304.36	5.19	-48.16
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300010981900	0	40	-1.0	-50.59	352.14	4.09	-46.50
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010981901	0	28	-1.0	-44.18	301.06	3.82	-40.36
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=CC(Cl)=C(Cl)S1	REAL300010981901	1	27	-2.0	-95.85	295.11	3.63	-92.22
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981902	0	44	-1.0	-52.19	364.27	6.00	-46.19
CC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC2=C1N(C)C(=O)C2(C)C	REAL300010981903	0	48	-1.0	-52.06	391.64	5.53	-46.53
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300010981904	0	34	-1.0	-49.73	329.00	4.97	-44.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(=O)C(F)F)C=C1	REAL300010981905	0	36	-1.0	-51.54	326.73	4.33	-47.21
COC(=O)[C@@H]1CCCN1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981906	0	39	-1.0	-53.94	320.71	3.02	-50.92
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(I)C=CS1	REAL300010981907	0	28	-1.0	-43.74	281.76	3.13	-40.61
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(I)C=CS1	REAL300010981907	1	27	-2.0	-102.15	288.54	3.57	-98.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300010981908	0	42	-1.0	-52.47	363.66	6.54	-45.93
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300010981909	0	37	-1.0	-52.65	304.14	4.89	-47.76
COC(=O)C1=CNN=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981910	0	34	-1.0	-53.51	303.58	1.25	-52.26
COC(=O)C1=CNN=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981910	1	33	-2.0	-120.19	302.31	1.12	-119.07
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300010981911	0	36	-1.0	-48.97	330.12	2.29	-46.68
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300010981912	0	32	-1.0	-52.32	304.48	2.51	-49.81
CC1=CC(Cl)=NC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981913	0	33	-1.0	-51.20	304.52	3.26	-47.94
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981914	0	42	-1.0	-52.43	356.94	5.25	-47.18
CCN1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300010981915	0	41	-1.0	-53.53	356.15	4.49	-49.04
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=NSN=C2C=C1	REAL300010981916	0	35	-1.0	-49.05	314.44	3.13	-45.92
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300010981917	0	37	-1.0	-50.16	335.91	6.41	-43.75
CC(=O)OC1CCN(S(=O)(=O)NC(C)CCC(=O)[O-])C1	REAL300010981918	0	39	-1.0	-53.41	331.22	2.89	-50.52
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300010981919	0	41	-1.0	-49.92	364.19	7.56	-42.36
COC(=O)C1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C(Cl)S1	REAL300010981920	0	34	-1.0	-52.26	329.83	4.65	-47.61
CCC1=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1Br	REAL300010981921	0	37	-1.0	-48.59	332.24	5.50	-43.09
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981922	0	44	-1.0	-48.78	360.05	4.80	-43.98
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C1	REAL300010981923	0	45	-1.0	-54.35	366.43	4.00	-50.35
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300010981924	0	37	-1.0	-51.63	333.21	6.51	-45.12
CC(CCC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300010981925	0	39	-1.0	-49.02	321.16	1.26	-47.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300010981926	0	37	-1.0	-49.17	340.09	3.51	-45.66
COC(=O)[C@@H]1C[C@@H](OC(C)=O)CN1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981927	0	45	-1.0	-54.39	377.81	3.70	-50.69
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300010981928	0	46	-1.0	-48.40	377.15	4.08	-44.32
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981929	0	34	-1.0	-49.79	304.48	1.29	-48.50
COC1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981930	0	37	-1.0	-48.75	322.66	1.12	-47.63
CC(C)CN1C=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=N1	REAL300010981931	0	40	-1.0	-48.68	343.51	3.82	-44.86
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981932	0	40	-1.0	-52.79	340.91	3.45	-49.34
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300010981933	0	30	-1.0	-52.45	302.35	1.81	-50.64
CC(CCC(=O)[O-])NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300010981934	0	41	-1.0	-46.93	328.99	1.19	-45.74
COCC1=CC(CS(=O)(=O)NC(C)CCC(=O)[O-])=NO1	REAL300010981935	0	37	-1.0	-53.19	329.14	1.59	-51.60
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12	REAL300010981936	0	34	-1.0	-52.80	325.95	3.56	-49.24
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Br)C=N1	REAL300010981937	0	28	-2.0	-105.65	283.05	1.35	-104.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=C(Br)C=N1	REAL300010981937	1	29	-1.0	-50.42	287.06	1.33	-49.09
CC(=O)NC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981938	0	35	-1.0	-58.18	321.25	1.68	-56.50
CC1=C(C)C(S(=O)(=O)NC(C)CCC(=O)[O-])=C(C)S1	REAL300010981939	0	37	-1.0	-45.39	316.94	5.03	-40.36
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(I)S1	REAL300010981940	0	28	-1.0	-48.43	293.27	3.84	-44.59
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981941	0	35	-1.0	-52.44	311.15	4.12	-48.32
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=N1	REAL300010981942	0	33	-1.0	-46.75	306.34	3.26	-43.49
COC1=NC=CC(S(=O)(=O)NC(C)CCC(=O)[O-])=C1Cl	REAL300010981943	0	34	-1.0	-50.81	313.78	0.94	-49.87
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981944	0	40	-1.0	-56.38	358.11	2.80	-53.58
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NC(C)CCC(=O)[O-])S1	REAL300010981944	1	39	-2.0	-101.37	354.81	1.67	-99.70
CC(=O)NC1=NN(C)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981945	0	38	-1.0	-58.87	339.52	1.55	-57.32
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1Cl	REAL300010981946	0	35	-1.0	-46.62	339.35	5.87	-40.75
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300010981947	0	36	-1.0	-46.28	323.57	5.73	-40.55
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010981948	0	29	-2.0	-108.84	291.89	2.29	-106.55
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=CC(Br)=C1F	REAL300010981948	1	30	-1.0	-49.10	297.30	2.60	-46.50
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300010981949	0	42	-1.0	-52.04	345.66	3.98	-48.06
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=CC=CN=C12	REAL300010981950	0	39	-1.0	-49.87	329.51	4.91	-44.96
COC(=O)C1=NC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C	REAL300010981951	0	39	-1.0	-50.12	342.11	3.06	-47.06
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C#N)=CC=C1[N+](=O)[O-]	REAL300010981952	0	34	-1.0	-56.74	311.82	5.44	-51.30
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300010981953	0	38	-1.0	-46.14	323.13	3.56	-42.58
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300010981954	0	38	-1.0	-49.97	329.89	4.90	-45.07
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300010981955	0	33	-1.0	-52.79	302.27	2.62	-50.17
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=NN1C(C)C	REAL300010981956	0	40	-1.0	-46.86	335.55	3.44	-43.42
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2(F)F)=C1	REAL300010981957	0	38	-1.0	-47.31	335.14	5.88	-41.43
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(C(F)F)=C1	REAL300010981958	0	33	-1.0	-50.35	300.57	2.62	-47.73
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=C1NCCC2	REAL300010981959	0	43	-1.0	-45.87	341.36	4.53	-41.34
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1	REAL300010981960	0	45	-1.0	-49.37	384.04	7.26	-42.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2(F)F)C=C1	REAL300010981961	0	38	-1.0	-48.10	336.79	5.93	-42.17
CC(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1Br	REAL300010981962	0	28	-1.0	-49.97	283.74	3.21	-46.76
CC(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Cl)=CC=C21	REAL300010981963	0	35	-1.0	-51.26	325.88	4.17	-47.09
CC1=CC(Br)=NC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981964	0	33	-1.0	-51.15	309.11	3.34	-47.81
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300010981965	0	36	-1.0	-52.18	308.20	4.61	-47.57
CC1=CC=C(I)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981966	0	34	-1.0	-44.07	314.93	5.62	-38.45
COC(=O)CC1=CC=CC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981967	0	40	-1.0	-49.41	339.20	5.45	-43.96
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300010981968	0	42	-1.0	-49.92	359.49	7.81	-42.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=C1F	REAL300010981969	0	34	-1.0	-52.61	300.28	4.18	-48.43
CC(CCC(=O)[O-])NS(=O)(=O)C1=CN=CC(Br)=C1	REAL300010981970	0	30	-1.0	-48.11	289.62	2.40	-45.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010981971	0	33	-1.0	-49.85	296.15	3.20	-46.65
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=CC=C1C(F)(F)F	REAL300010981971	1	32	-2.0	-112.71	295.31	2.83	-109.88
CC(CCC(=O)[O-])NS(=O)(=O)N1CC=C(Br)CC1	REAL300010981972	0	34	-1.0	-50.26	303.69	3.45	-46.81
CC(CCC(=O)[O-])NS(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300010981973	0	39	-1.0	-57.53	327.33	-0.67	-58.20
CC1=NC(S(=O)(=O)NC(C)CCC(=O)[O-])=CC=C1Br	REAL300010981974	0	33	-1.0	-50.53	309.64	2.93	-47.60
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010981975	0	29	-2.0	-102.92	298.09	2.94	-99.98
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=C(Cl)C=C1Br	REAL300010981975	1	30	-1.0	-49.24	302.11	3.10	-46.14
CC(CCC(=O)[O-])NS(=O)(=O)C1=NN(C2CC2(F)F)C=C1	REAL300010981976	0	35	-1.0	-58.35	322.01	2.93	-55.42
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300010981977	0	35	-1.0	-47.55	314.80	5.00	-42.55
CC(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Cl)C=C1	REAL300010981978	0	35	-1.0	-47.16	325.12	5.45	-41.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(P(C)(C)=O)=C1	REAL300010981979	0	40	-1.0	-58.30	353.32	3.20	-55.10
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1(F)F	REAL300010981980	0	38	-1.0	-55.13	328.70	5.96	-49.17
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(Cl)=C1Cl	REAL300010981981	0	34	-1.0	-49.73	320.25	5.25	-44.48
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1F	REAL300010981982	0	35	-1.0	-46.60	326.98	3.58	-43.02
COC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C(C(F)F)=C1	REAL300010981983	0	38	-1.0	-54.62	322.05	4.30	-50.32
CCOC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C1C(=O)OC	REAL300010981984	0	44	-1.0	-53.84	377.15	5.24	-48.60
COC(=O)C1CC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2C1	REAL300010981985	0	44	-1.0	-49.00	374.66	6.22	-42.78
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981986	0	37	-1.0	-49.65	326.63	1.75	-47.90
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981987	0	37	-1.0	-45.68	338.21	5.66	-40.02
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981987	1	36	-2.0	-104.59	337.33	5.59	-99.00
COC(=O)C1=CC=NC=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981988	0	36	-1.0	-48.96	311.62	3.32	-45.64
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981989	0	37	-1.0	-59.07	325.89	5.18	-53.89
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]C(C)CCC(=O)[O-]	REAL300010981989	1	36	-2.0	-120.81	322.58	5.10	-115.71
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300010981990	0	36	-1.0	-49.08	309.98	4.06	-45.02
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1I	REAL300010981991	0	31	-1.0	-50.91	295.55	4.92	-45.99
CCOC1=CC=CN=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981992	0	37	-1.0	-52.70	318.40	3.00	-49.70
COC(=O)C1=NC2=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C2C=C1	REAL300010981993	0	42	-1.0	-52.89	369.87	4.62	-48.27
CC1=CC=C(S(=O)(=O)NC(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300010981994	0	39	-1.0	-57.32	319.12	5.32	-52.00
CC(CCC(=O)[O-])[N-]S(=O)(=O)C1=C(Br)C=NS1	REAL300010981995	0	26	-2.0	-96.34	273.97	1.95	-94.39
CC(CCC(=O)[O-])NS(=O)(=O)C1=C(Br)C=NS1	REAL300010981995	1	27	-1.0	-47.02	277.04	2.07	-44.95
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(N)=CC(Br)=C1	REAL300010981996	0	33	-1.0	-46.46	311.66	2.19	-44.27
CC1=CC(Cl)=CN=C1S(=O)(=O)NC(C)CCC(=O)[O-]	REAL300010981997	0	33	-1.0	-50.27	301.79	3.16	-47.11
CC(CCC(=O)[O-])NS(=O)(=O)C1=NC=CC=C1C(F)F	REAL300010981998	0	33	-1.0	-49.50	292.25	3.03	-46.47
CC1=C(S(=O)(=O)NC(C)CCC(=O)[O-])C=C(Cl)S1	REAL300010981999	0	31	-1.0	-49.11	299.26	4.11	-45.00
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300010982000	0	33	-1.0	-51.00	304.81	2.92	-48.08
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300010982546	0	38	-1.0	-51.43	323.24	3.95	-47.48
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300010982547	0	38	-1.0	-58.34	341.11	4.33	-54.01
CCC[C@@H](NS(=O)(=O)C1CCCCC1C(=O)OC)C(=O)[O-]	REAL300010982548	0	43	-1.0	-61.48	338.27	4.96	-56.52
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300010982549	0	46	-1.0	-51.32	366.36	4.65	-46.67
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)OC)C(=O)[O-]	REAL300010982550	0	39	-1.0	-52.23	345.62	5.85	-46.38
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(=O)[O-]	REAL300010982551	0	38	-1.0	-58.11	333.09	2.66	-55.45
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010982552	0	39	-1.0	-49.50	333.25	5.77	-43.73
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300010982553	0	36	-1.0	-57.26	335.21	4.26	-53.00
CCC[C@@H](NS(=O)(=O)C1=CC=C(I)C=C1)C(=O)[O-]	REAL300010982554	0	31	-1.0	-50.18	304.54	4.89	-45.29
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982555	0	33	-1.0	-60.02	291.62	5.25	-54.77
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010982556	0	28	-1.0	-52.43	282.36	2.56	-49.87
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)O1)C(=O)[O-]	REAL300010982556	1	27	-2.0	-124.45	274.62	2.85	-121.60
CCC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-]	REAL300010982557	0	41	-1.0	-61.20	331.86	4.64	-56.56
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982558	0	33	-1.0	-50.95	305.01	4.46	-46.49
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300010982559	0	35	-1.0	-52.37	327.77	3.69	-48.68
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982560	0	41	-1.0	-61.65	360.82	4.82	-56.83
CCC[C@@H](NS(=O)(=O)CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010982561	0	44	-1.0	-64.89	388.21	4.86	-60.03
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300010982562	0	38	-1.0	-48.13	338.06	1.50	-46.63
CCC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CC(=O)N3CCC2)C(=O)[O-]	REAL300010982563	0	43	-1.0	-55.11	360.80	5.21	-49.90
CCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010982564	0	31	-1.0	-57.01	289.41	4.48	-52.53
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010982564	1	30	-2.0	-137.18	286.31	4.88	-132.30
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)N=C1Cl)C(=O)[O-]	REAL300010982565	0	33	-1.0	-45.85	307.68	3.17	-42.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C=C1OC)C(=O)[O-]	REAL300010982566	0	36	-1.0	-54.42	326.08	4.06	-50.36
CCC[C@@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300010982567	0	38	-1.0	-53.82	341.36	5.13	-48.69
CCC[C@@H](NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300010982568	0	35	-1.0	-50.52	332.20	5.23	-45.29
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)S1)C(=O)[O-]	REAL300010982569	0	33	-1.0	-49.18	315.90	4.12	-45.06
CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300010982570	0	41	-1.0	-65.59	359.67	0.32	-65.27
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010982571	0	34	-1.0	-47.25	317.88	1.72	-45.53
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC)C(=O)[O-]	REAL300010982572	0	40	-1.0	-52.52	352.99	4.72	-47.80
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300010982573	0	46	-1.0	-57.02	390.50	4.22	-52.80
CCC[C@@H](NS(=O)(=O)C1=CSC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982574	0	30	-1.0	-55.10	298.52	3.53	-51.57
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC[NH+](C)C)N=C1C)C(=O)[O-]	REAL300010982575	0	49	0.0	-85.13	391.02	4.90	-80.23
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300010982576	0	37	-1.0	-56.04	327.10	5.19	-50.85
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010982577	0	34	-1.0	-51.62	310.33	5.19	-46.43
CCC[C@@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300010982578	0	35	-1.0	-59.47	315.43	3.86	-55.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1F)C(=O)[O-]	REAL300010982579	0	31	-1.0	-49.80	303.95	4.48	-45.32
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300010982580	0	39	-1.0	-62.52	329.02	4.35	-58.17
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1C	REAL300010982581	0	58	-1.0	-51.02	460.71	8.22	-42.80
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300010982582	0	40	-1.0	-54.99	338.64	5.22	-49.77
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300010982583	0	45	-1.0	-45.77	399.90	4.91	-40.86
CCC[C@@H](NS(=O)(=O)C1=CC(C#N)=CC=C1Cl)C(=O)[O-]	REAL300010982584	0	32	-1.0	-39.50	308.49	4.72	-34.78
CCC[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300010982585	0	34	-1.0	-58.41	321.76	2.84	-55.57
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300010982586	0	46	-1.0	-64.68	369.34	4.49	-60.19
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300010982587	0	37	-1.0	-52.76	344.15	6.65	-46.11
CCC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C(=O)[O-]	REAL300010982588	0	42	-1.0	-61.93	360.42	4.62	-57.31
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300010982589	0	36	-1.0	-51.23	321.37	2.88	-48.35
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C=C1)C(=O)[O-]	REAL300010982590	0	39	-1.0	-58.23	343.93	2.00	-56.23
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982592	0	34	-1.0	-49.12	332.22	5.29	-43.83
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300010982593	0	42	-1.0	-58.41	319.51	1.49	-56.92
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Br)C=C1C)C(=O)[O-]	REAL300010982594	0	36	-1.0	-55.80	333.37	5.71	-50.09
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982595	0	37	-1.0	-46.80	340.23	4.61	-42.19
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982596	0	41	-1.0	-49.79	367.72	3.13	-46.66
CCC[C@@H](NS(=O)(=O)C1=CC=C(N2CCOC2=O)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982597	0	42	-1.0	-57.66	375.96	5.60	-52.06
CCC[C@@H](NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300010982598	0	41	-1.0	-56.59	351.63	4.55	-52.04
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300010982599	0	46	-1.0	-43.77	397.89	5.21	-38.56
CCC[C@@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300010982600	0	34	-1.0	-57.66	315.73	2.66	-55.00
CCC[C@@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300010982601	0	42	-1.0	-57.49	358.02	5.10	-52.39
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C)C=CN=C12)C(=O)[O-]	REAL300010982602	0	39	-1.0	-61.33	334.39	5.12	-56.21
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300010982603	0	39	-1.0	-43.69	353.69	3.62	-40.07
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(F)F)=C1)C(=O)[O-]	REAL300010982604	0	34	-1.0	-61.51	311.17	4.69	-56.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300010982605	0	34	-1.0	-40.72	319.92	4.87	-35.85
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300010982606	0	34	-1.0	-50.62	319.47	5.07	-45.55
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300010982607	0	35	-1.0	-58.46	310.93	4.79	-53.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(C)=O)C(Br)=C1)C(=O)[O-]	REAL300010982608	0	38	-1.0	-54.95	351.02	3.43	-51.52
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300010982609	0	42	-1.0	-63.28	339.21	3.63	-59.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300010982610	0	43	-1.0	-56.56	364.11	3.88	-52.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010982611	0	37	-1.0	-52.51	357.22	1.91	-50.60
CCC[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300010982612	0	39	-1.0	-50.90	346.30	5.04	-45.86
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982613	0	41	-1.0	-49.79	367.72	3.13	-46.66
CCC[C@@H](NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300010982614	0	39	-1.0	-54.45	327.86	4.18	-50.27
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010982615	0	34	-1.0	-57.50	323.22	5.04	-52.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1OC)C(=O)[O-]	REAL300010982616	0	41	-1.0	-54.33	359.81	4.34	-49.99
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)SC=C1C)C(=O)[O-]	REAL300010982617	0	37	-1.0	-57.68	332.72	5.06	-52.62
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300010982618	0	35	-1.0	-51.07	312.70	3.13	-47.94
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300010982619	0	42	-1.0	-61.28	367.18	3.97	-57.31
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300010982620	0	45	-1.0	-61.00	394.74	5.12	-55.88
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300010982621	0	45	-1.0	-43.77	390.56	7.22	-36.55
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982622	0	39	-1.0	-61.01	345.60	5.85	-55.16
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010982623	0	31	-1.0	-39.58	319.41	4.98	-34.60
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300010982623	1	30	-2.0	-125.70	311.85	5.25	-120.45
CCC[C@@H](NS(=O)(=O)C1=CC=C(C[NH+](C)C)C=C1)C(=O)[O-]	REAL300010982624	0	43	0.0	-84.61	355.35	5.68	-78.93
CCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300010982625	0	39	-1.0	-55.62	329.23	4.21	-51.41
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(C(=O)OCC)=C(C)C2=C1)C(=O)[O-]	REAL300010982626	0	46	-1.0	-52.76	400.44	6.46	-46.30
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1C)C(=O)[O-]	REAL300010982627	0	43	-1.0	-61.92	365.35	6.18	-55.74
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010982628	0	31	-1.0	-40.07	308.99	4.87	-35.20
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)C(F)=C1Cl)C(=O)[O-]	REAL300010982628	1	30	-2.0	-122.34	305.43	5.23	-117.11
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(Cl)S1)C(=O)[O-]	REAL300010982629	0	31	-1.0	-50.99	306.47	4.03	-46.96
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300010982630	0	37	-1.0	-53.41	323.49	4.31	-49.10
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1F)C(=O)[O-]	REAL300010982631	0	35	-1.0	-53.08	312.39	3.14	-49.94
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982632	0	39	-1.0	-58.34	332.63	6.83	-51.51
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300010982633	0	37	-1.0	-55.65	337.98	5.55	-50.10
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010982634	0	41	-1.0	-47.56	359.61	6.66	-40.90
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1C)C(=O)[O-]	REAL300010982635	0	34	-1.0	-51.41	315.07	5.10	-46.31
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300010982636	0	36	-1.0	-52.52	318.17	4.14	-48.38
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300010982637	0	37	-1.0	-60.69	327.35	5.17	-55.52
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300010982638	0	39	-1.0	-59.72	336.31	5.88	-53.84
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010982639	0	31	-1.0	-51.37	305.68	4.89	-46.48
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982640	0	33	-1.0	-49.58	318.24	5.94	-43.64
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982640	1	32	-2.0	-125.52	316.97	6.33	-119.19
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010982641	0	41	-1.0	-47.56	359.61	6.66	-40.90
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010982642	0	30	-1.0	-46.49	294.58	2.45	-44.04
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010982643	0	31	-1.0	-50.63	312.89	4.85	-45.78
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300010982644	0	42	-1.0	-51.36	373.34	3.59	-47.77
CCC[C@@H]([N-]S(=O)(=O)C1=C(F)C(F)=CC(F)=C1F)C(=O)[O-]	REAL300010982645	0	30	-2.0	-128.69	289.40	4.57	-124.12
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300010982646	0	41	-1.0	-58.81	338.87	5.56	-53.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010982647	0	37	-1.0	-55.29	336.05	4.47	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300010982648	0	35	-1.0	-43.95	322.88	4.12	-39.83
CCC[C@@H](NS(=O)(=O)C1=CNC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982649	0	32	-1.0	-55.29	305.18	2.58	-52.71
CCC[C@@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300010982650	0	44	-1.0	-59.67	364.16	6.99	-52.68
CCC[C@@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300010982651	0	42	-1.0	-56.45	358.74	4.49	-51.96
CCC[C@@H](NC(=O)N1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300010982652	0	48	-1.0	-56.52	373.55	10.28	-46.24
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300010982653	0	45	-1.0	-54.72	369.33	5.90	-48.82
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C)C(=O)[O-]	REAL300010982654	0	38	-1.0	-58.73	318.50	3.89	-54.84
CCC[C@@H](NS(=O)(=O)C1=CN=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982655	0	36	-1.0	-54.99	326.74	2.64	-52.35
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(Br)=C1)C(=O)[O-]	REAL300010982656	0	32	-1.0	-48.53	317.48	4.67	-43.86
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982657	0	33	-1.0	-50.33	329.15	5.33	-45.00
CCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982657	1	32	-2.0	-120.57	322.11	5.80	-114.77
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300010982658	0	38	-1.0	-55.44	333.57	4.29	-51.15
CCC[C@@H](NS(=O)(=O)C1=C(C)C(Cl)=C(C(=O)OC)S1)C(=O)[O-]	REAL300010982659	0	37	-1.0	-50.39	343.14	3.96	-46.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300010982660	0	38	-1.0	-55.15	325.60	3.58	-51.57
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300010982661	0	39	-1.0	-53.07	347.05	3.49	-49.58
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300010982662	0	35	-1.0	-53.37	322.22	3.43	-49.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1)C(=O)[O-]	REAL300010982663	0	34	-1.0	-47.35	321.33	4.82	-42.53
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300010982664	0	42	-1.0	-55.80	368.09	0.88	-54.92
CCC[C@@H](NS(=O)(=O)C1=CC=C2SC(C(=O)OCC)=CC2=C1)C(=O)[O-]	REAL300010982665	0	43	-1.0	-52.23	391.43	6.83	-45.40
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C(F)F)C(=O)[O-]	REAL300010982666	0	37	-1.0	-68.33	327.73	3.12	-65.21
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300010982667	0	36	-1.0	-60.01	333.86	-0.64	-60.65
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C=C1F)C(=O)[O-]	REAL300010982668	0	37	-1.0	-51.47	337.65	4.51	-46.96
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)CC)=CC=C1Cl)C(=O)[O-]	REAL300010982669	0	39	-1.0	-48.23	353.95	5.71	-42.52
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1Br)C(=O)[O-]	REAL300010982670	0	35	-1.0	-52.21	320.55	3.72	-48.49
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300010982671	0	37	-1.0	-55.30	314.92	3.27	-52.03
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300010982672	0	37	-1.0	-51.45	344.65	4.96	-46.49
CCC[C@@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1OC)C(=O)[O-]	REAL300010982673	0	37	-1.0	-51.07	326.86	4.97	-46.10
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300010982674	0	31	-1.0	-49.34	304.95	4.82	-44.52
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C)C(=O)[O-]	REAL300010982675	0	37	-1.0	-47.79	306.10	5.27	-42.52
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010982676	0	31	-1.0	-51.98	307.51	4.95	-47.03
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)NC(=O)CO2)C(=O)[O-]	REAL300010982677	0	41	-1.0	-45.94	354.60	0.88	-45.06
CCC[C@@H]([N-]S(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010982678	0	32	-2.0	-124.15	320.13	5.34	-118.81
CCC[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1F)C(=O)[O-]	REAL300010982678	1	33	-1.0	-37.80	325.61	5.04	-32.76
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010982679	0	33	-1.0	-46.32	323.28	4.91	-41.41
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010982679	1	32	-2.0	-116.50	314.48	5.28	-111.22
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010982680	0	31	-1.0	-49.51	303.55	5.05	-44.46
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(F)C=C1Cl)C(=O)[O-]	REAL300010982680	1	30	-2.0	-120.82	298.34	5.51	-115.31
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300010982681	0	32	-1.0	-55.77	301.86	2.17	-53.60
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1F)C(=O)[O-]	REAL300010982682	0	31	-1.0	-45.08	304.00	4.51	-40.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(OC)=C1)C(=O)[O-]	REAL300010982683	0	41	-1.0	-53.96	358.79	4.50	-49.46
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300010982684	0	31	-1.0	-49.15	307.58	4.95	-44.20
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010982685	0	34	-1.0	-57.52	317.11	4.99	-52.53
CCC[C@@H](NS(=O)(=O)C1=CN=C(NC(C)=O)S1)C(=O)[O-]	REAL300010982686	0	34	-1.0	-57.29	322.57	1.31	-55.98
CCC[C@@H](NS(=O)(=O)C1=CN=C([N-]C(C)=O)S1)C(=O)[O-]	REAL300010982686	1	33	-2.0	-97.22	319.49	0.17	-97.05
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300010982687	0	34	-1.0	-57.47	321.67	5.10	-52.37
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010982688	0	35	-1.0	-55.84	328.01	1.07	-54.77
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1C(=O)OCC)C(=O)[O-]	REAL300010982689	0	40	-1.0	-61.32	338.92	6.06	-55.26
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300010982690	0	39	-1.0	-55.60	331.55	2.26	-53.34
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010982691	0	35	-1.0	-55.61	332.57	1.17	-54.44
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300010982692	0	38	-1.0	-53.70	328.11	4.01	-49.69
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300010982693	0	42	-1.0	-59.21	354.53	5.09	-54.12
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C#N)=C1)C(=O)[O-]	REAL300010982694	0	35	-1.0	-52.94	333.40	4.96	-47.98
CCC[C@@H](NS(=O)(=O)N(CCC#N)CCOC)C(=O)[O-]	REAL300010982695	0	40	-1.0	-57.46	342.67	2.31	-55.15
CCC[C@@H](NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300010982696	0	38	-1.0	-57.12	346.55	4.35	-52.77
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300010982697	0	34	-1.0	-46.14	304.44	2.46	-43.68
CCC[C@@H](NS(=O)(=O)C1=CC=CC(Br)=C1C#N)C(=O)[O-]	REAL300010982698	0	32	-1.0	-54.14	313.00	4.45	-49.69
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C#N)C(=O)[O-]	REAL300010982699	0	32	-1.0	-54.48	314.72	4.58	-49.90
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300010982700	0	37	-1.0	-51.08	327.92	5.57	-45.51
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1)C(=O)[O-]	REAL300010982701	0	48	-1.0	-55.22	413.55	3.50	-51.72
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCC2=O)C(=O)[O-]	REAL300010982702	0	37	-1.0	-62.27	336.20	5.29	-56.98
CCC[C@@H](NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300010982703	0	45	-1.0	-57.08	385.35	1.08	-56.00
CCC[C@@H](NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300010982704	0	41	-1.0	-48.12	363.84	1.16	-46.96
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010982705	0	30	-2.0	-131.37	292.61	4.94	-126.43
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC(F)=C1F)C(=O)[O-]	REAL300010982705	1	31	-1.0	-57.98	297.63	4.59	-53.39
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(C)=O)CCC2=C1)C(=O)[O-]	REAL300010982706	0	48	-1.0	-59.76	389.07	5.70	-54.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982707	0	40	-1.0	-55.76	361.95	5.22	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1OC)C(=O)[O-]	REAL300010982708	0	41	-1.0	-50.70	370.19	5.44	-45.26
CCCC1=CC=C(Cl)C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])=C1	REAL300010982709	0	40	-1.0	-43.19	355.33	6.62	-36.57
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)C)=CC=C1Cl)C(=O)[O-]	REAL300010982710	0	40	-1.0	-42.70	348.13	6.25	-36.45
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)NC)C=C1)C(=O)[O-]	REAL300010982711	0	41	-1.0	-63.25	356.85	2.77	-60.48
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)N(C)C)=C1OC)C(=O)[O-]	REAL300010982712	0	45	-1.0	-54.79	393.15	4.71	-50.08
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010982713	0	31	-1.0	-42.38	300.01	4.43	-37.95
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC=C1F)C(=O)[O-]	REAL300010982713	1	30	-2.0	-133.80	292.47	4.69	-129.11
CCC[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010982714	0	44	-1.0	-58.93	377.40	5.33	-53.60
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010982715	0	40	-1.0	-40.79	370.31	5.85	-34.94
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)OCC)=C(Cl)C=C1F)C(=O)[O-]	REAL300010982715	1	39	-2.0	-126.59	364.88	6.15	-120.44
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010982716	0	33	-1.0	-50.60	320.77	5.52	-45.08
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=CC([N+](=O)[O-])=C1Cl)C(=O)[O-]	REAL300010982716	1	32	-2.0	-124.58	317.78	5.92	-118.66
CCC[C@@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300010982717	0	40	-1.0	-66.45	338.00	0.91	-65.54
CCC[C@@H]([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C(=O)[O-]	REAL300010982718	0	38	-2.0	-131.42	338.08	5.41	-126.01
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)NC)=C1OC)C(=O)[O-]	REAL300010982719	0	42	-1.0	-54.87	371.82	3.62	-51.25
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=C(C)C=C1F)C(=O)[O-]	REAL300010982720	0	43	-1.0	-53.01	374.91	5.95	-47.06
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)NCCOC)=C1)C(=O)[O-]	REAL300010982721	0	45	-1.0	-59.28	388.54	1.96	-57.32
CCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300010982722	0	42	-1.0	-48.71	358.22	3.36	-45.35
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1OC)C(=O)[O-]	REAL300010982723	0	44	-1.0	-47.47	379.67	5.25	-42.22
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982724	0	43	-1.0	-51.69	369.69	5.88	-45.81
CCC[C@@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300010982725	0	34	-1.0	-53.11	312.64	5.13	-47.98
CCC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OCC)=C1)C(=O)[O-]	REAL300010982726	0	43	-1.0	-59.49	375.58	6.15	-53.34
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010982727	0	37	-1.0	-55.56	347.58	6.40	-49.16
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C=C(Cl)C=C1C(=O)OC)C(=O)[O-]	REAL300010982727	1	36	-2.0	-134.59	341.74	6.85	-127.74
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1C(F)(F)F)C(=O)[O-]	REAL300010982728	0	34	-1.0	-54.73	310.29	5.02	-49.71
CCC[C@@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300010982729	0	47	-1.0	-56.90	377.18	5.16	-51.74
CCC[C@@H](NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300010982730	0	36	-1.0	-55.69	325.64	2.98	-52.71
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010982731	0	37	-1.0	-54.65	338.61	5.78	-48.87
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OCC)=CC=C1F)C(=O)[O-]	REAL300010982732	0	40	-1.0	-45.02	357.79	5.45	-39.57
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010982733	0	41	-1.0	-54.66	351.22	7.18	-47.48
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982734	0	45	-1.0	-55.25	396.14	1.56	-53.69
CCC[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300010982735	0	34	-1.0	-55.45	317.10	5.05	-50.40
CCC[C@@H](NS(=O)(=O)C1=CN(C)C(C(=O)C(=O)OCC)=C1)C(=O)[O-]	REAL300010982736	0	43	-1.0	-52.85	379.79	4.99	-47.86
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010982737	0	37	-1.0	-61.01	347.26	1.72	-59.29
CCC[C@@H](NS(=O)(=O)C1=C(F)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010982738	0	35	-1.0	-57.78	322.83	4.72	-53.06
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010982739	0	34	-1.0	-53.07	309.17	4.64	-48.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1C)C(=O)[O-]	REAL300010982740	0	33	-1.0	-48.82	301.29	3.19	-45.63
CCC[C@@H](NS(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010982741	0	34	-1.0	-56.38	315.37	3.15	-53.23
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)N(C)C(C)=N1)C(=O)[O-]	REAL300010982741	1	33	-2.0	-142.68	308.94	3.65	-139.03
CCC[C@@H](NS(=O)(=O)C1=CN=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982742	0	32	-1.0	-51.69	300.42	2.61	-49.08
CCC[C@@H](NS(=O)(=O)C1=CC=CC(C(=O)N(C)CC)=C1)C(=O)[O-]	REAL300010982743	0	44	-1.0	-60.85	369.14	4.61	-56.24
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1[O-])C(=O)[O-]	REAL300010982744	0	34	-2.0	-106.18	320.79	3.46	-102.72
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O)C(=O)[O-]	REAL300010982744	1	35	-1.0	-54.25	324.79	2.60	-51.65
CCC[C@@H](NS(=O)(=O)C1(CC(=O)OCC)CC1)C(=O)[O-]	REAL300010982745	0	40	-1.0	-64.80	332.80	5.21	-59.59
CCC[C@@H](NS(=O)(=O)CCOCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010982746	0	48	-1.0	-61.58	421.76	4.16	-57.42
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010982747	0	32	-1.0	-38.24	323.83	4.81	-33.43
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Br)=C(C#N)C=C1F)C(=O)[O-]	REAL300010982747	1	31	-2.0	-122.55	316.22	5.06	-117.49
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(NC(C)=O)C=C1OC)C(=O)[O-]	REAL300010982748	0	42	-1.0	-57.78	374.68	3.18	-54.60
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(C(=O)OC(C)C)=C1)C(=O)[O-]	REAL300010982749	0	46	-1.0	-51.65	389.69	6.61	-45.04
CCC[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300010982750	0	43	-1.0	-57.60	380.65	2.99	-54.61
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C=NC2=C1)C(=O)[O-]	REAL300010982751	0	36	-1.0	-56.49	323.13	0.98	-55.51
CCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCC1)C(=O)[O-]	REAL300010982752	0	43	-1.0	-61.43	350.63	4.86	-56.57
CCC[C@@H](NS(=O)(=O)C1=CN=C(Cl)C(Br)=C1)C(=O)[O-]	REAL300010982753	0	30	-1.0	-46.64	308.39	2.96	-43.68
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300010982754	0	38	-1.0	-51.63	348.56	4.02	-47.61
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300010982755	0	37	-1.0	-49.91	331.45	5.27	-44.64
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300010982756	0	42	-1.0	-52.46	382.16	7.15	-45.31
CCC[C@@H](NS(=O)(=O)C1=CC=CC(CC(=O)OC)=C1)C(=O)[O-]	REAL300010982757	0	40	-1.0	-59.98	353.98	5.21	-54.77
CCC[C@@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300010982758	0	33	-1.0	-58.68	308.26	3.33	-55.35
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300010982759	0	37	-1.0	-57.48	338.21	5.69	-51.79
CCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCC1)C(=O)[O-]	REAL300010982760	0	40	-1.0	-61.69	339.50	4.12	-57.57
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300010982761	0	31	-1.0	-50.85	310.07	4.01	-46.84
CCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1C#N)C(=O)[O-]	REAL300010982762	0	35	-1.0	-55.80	325.31	4.75	-51.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300010982763	0	34	-1.0	-51.22	322.35	5.40	-45.82
CCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OC)=C1)C(=O)[O-]	REAL300010982764	0	44	-1.0	-54.90	386.68	4.15	-50.75
CCC[C@@H](NS(=O)(=O)C1=CC(COC)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982765	0	47	-1.0	-54.26	408.47	5.08	-49.18
CCC[C@@H](NS(=O)(=O)CC1(C(=O)OC)CCCCC1)C(=O)[O-]	REAL300010982766	0	46	-1.0	-61.11	363.37	5.26	-55.85
CCC[C@@H](NS(=O)(=O)C1=CN=C(C)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982767	0	39	-1.0	-49.89	343.31	3.11	-46.78
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1F)C(=O)[O-]	REAL300010982768	0	35	-1.0	-45.25	329.20	3.71	-41.54
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OCC)=C1)C(=O)[O-]	REAL300010982769	0	40	-1.0	-54.96	370.37	5.85	-49.11
CCC[C@@H](NS(=O)(=O)C1=CC=C(C#N)C(F)=C1)C(=O)[O-]	REAL300010982770	0	32	-1.0	-49.12	303.69	4.20	-44.92
CCC[C@@H](NS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-]	REAL300010982771	0	47	-1.0	-63.69	409.96	5.62	-58.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1Cl)C(=O)[O-]	REAL300010982772	0	33	-1.0	-41.34	323.40	3.55	-37.79
CCC[C@@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300010982773	0	44	-1.0	-57.00	334.29	5.76	-51.24
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300010982774	0	40	-1.0	-56.43	341.59	5.38	-51.05
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NON=C21)C(=O)[O-]	REAL300010982775	0	32	-1.0	-58.93	303.80	3.19	-55.74
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300010982776	0	37	-1.0	-59.30	334.55	5.42	-53.88
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010982777	0	34	-1.0	-52.18	311.43	2.57	-49.61
CCC[C@@H]([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300010982777	1	33	-2.0	-127.12	306.97	3.03	-124.09
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982778	0	33	-1.0	-49.58	313.82	5.84	-43.74
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=C(F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982778	1	32	-2.0	-125.27	312.57	6.24	-119.03
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(C)C=C1F)C(=O)[O-]	REAL300010982779	0	40	-1.0	-52.97	353.07	5.03	-47.94
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(C)=C(Cl)N=C2C=C1)C(=O)[O-]	REAL300010982780	0	39	-1.0	-53.84	353.19	5.17	-48.67
CCC[C@@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300010982781	0	40	-1.0	-53.69	330.02	4.94	-48.75
CCC[C@@H](NS(=O)(=O)CCOCC1=CC=CC=C1)C(=O)[O-]	REAL300010982782	0	41	-1.0	-54.98	356.15	4.53	-50.45
CCC[C@@H](NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300010982783	0	58	-1.0	-53.46	434.66	9.52	-43.94
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(Cl)C=CN=C12)C(=O)[O-]	REAL300010982784	0	36	-1.0	-56.81	331.21	5.01	-51.80
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OCC)C=C1)C(=O)[O-]	REAL300010982785	0	43	-1.0	-58.87	377.05	6.08	-52.79
CCC[C@@H](NS(=O)(=O)C1=CC=CN=C1C(=O)OC)C(=O)[O-]	REAL300010982786	0	36	-1.0	-58.13	313.45	3.40	-54.73
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982787	0	38	-1.0	-52.00	344.99	4.08	-47.92
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300010982788	0	43	-1.0	-53.97	361.89	5.53	-48.44
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2CC2)C=C1)C(=O)[O-]	REAL300010982789	0	39	-1.0	-53.61	337.29	4.75	-48.86
CCC[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010982790	0	34	-1.0	-53.24	314.40	4.26	-48.98
CCC[C@@H]([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300010982790	1	33	-2.0	-126.94	304.51	4.65	-122.29
CCC[C@@H](NS(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010982791	0	34	-1.0	-54.06	328.66	5.88	-48.18
CCC[C@@H]([N-]S(=O)(=O)C1=C(Cl)C2=CC=CC=C2S1)C(=O)[O-]	REAL300010982791	1	33	-2.0	-135.61	321.55	6.14	-129.47
CCC[C@@H](NS(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010982792	0	45	-1.0	-51.27	397.30	2.26	-49.01
CCC[C@@H](NS(=O)(=O)C1=CC=C([N-]S(=O)(=O)CCC)C=C1F)C(=O)[O-]	REAL300010982792	1	44	-2.0	-99.30	396.16	2.34	-96.96
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010982793	0	34	-1.0	-57.38	327.63	5.14	-52.24
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300010982794	0	40	-1.0	-69.87	361.08	2.00	-67.87
CCC[C@@H](NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300010982795	0	40	-1.0	-54.96	344.25	6.69	-48.27
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(Cl)=C1C)C(=O)[O-]	REAL300010982796	0	40	-1.0	-55.53	357.77	5.65	-49.88
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300010982797	0	46	-1.0	-58.91	398.59	4.32	-54.59
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)C(C)C)C=C1)C(=O)[O-]	REAL300010982798	0	44	-1.0	-61.01	372.98	4.13	-56.88
CCC[C@@H](NS(=O)(=O)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300010982799	0	34	-1.0	-58.42	319.17	4.96	-53.46
CCC[C@@H](NS(=O)(=O)C1=C(F)C2=CC=CC=C2C=C1)C(=O)[O-]	REAL300010982800	0	37	-1.0	-49.83	328.31	6.15	-43.68
CCC[C@@H](NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300010982801	0	49	-1.0	-52.76	371.83	8.30	-44.46
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300010982802	0	50	-1.0	-51.18	418.50	4.52	-46.66
CCC[C@@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300010982803	0	38	-1.0	-55.70	332.78	3.54	-52.16
CCC[C@@H](NS(=O)(=O)C1=CC=C2SC(Cl)=NC2=C1)C(=O)[O-]	REAL300010982804	0	33	-1.0	-55.88	325.10	3.67	-52.21
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300010982805	0	39	-1.0	-57.85	350.79	3.52	-54.33
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300010982806	0	39	-1.0	-51.97	348.03	2.34	-49.63
CCC[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300010982807	0	36	-1.0	-61.78	330.95	-1.25	-63.03
CCC[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300010982808	0	42	-1.0	-62.88	349.87	0.89	-61.99
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300010982809	0	35	-1.0	-50.74	322.50	3.62	-47.12
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1F)NC(=O)O2)C(=O)[O-]	REAL300010982810	0	34	-1.0	-54.48	314.53	1.35	-53.13
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C=C1CC(=O)OC)C(=O)[O-]	REAL300010982811	0	44	-1.0	-59.37	369.77	5.04	-54.33
CCC[C@@H](NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300010982812	0	40	-1.0	-56.34	348.95	6.81	-49.53
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300010982813	0	35	-1.0	-43.72	322.30	3.94	-39.78
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300010982814	0	35	-1.0	-43.62	332.62	4.39	-39.23
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010982815	0	40	-1.0	-55.83	359.16	5.27	-50.56
CCC[C@@H](NS(=O)(=O)CC(CC1=CC=CC=C1)OC)C(=O)[O-]	REAL300010982816	0	44	-1.0	-57.70	365.93	5.17	-52.53
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010982817	0	35	-1.0	-43.44	309.56	3.70	-39.74
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1Cl)C(=O)[O-]	REAL300010982818	0	34	-1.0	-53.40	335.40	5.53	-47.87
CCC[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC=C1Br)C(=O)[O-]	REAL300010982819	0	34	-1.0	-54.57	333.82	5.57	-49.00
CCC[C@@H](NS(=O)(=O)C1=CC=C2OC(F)(F)OC2=C1)C(=O)[O-]	REAL300010982820	0	34	-1.0	-51.56	316.36	2.89	-48.67
CCC[C@@H](NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300010982821	0	39	-1.0	-59.12	339.30	5.62	-53.50
CCC[C@@H](NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300010982822	0	47	-1.0	-46.28	379.32	5.96	-40.32
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300010982823	0	38	-1.0	-53.46	352.22	6.16	-47.30
CCC[C@@H](NS(=O)(=O)CC1=CC=C(CC#N)C=C1)C(=O)[O-]	REAL300010982824	0	38	-1.0	-61.51	342.66	5.65	-55.86
CCC[C@@H](NS(=O)(=O)C1=CN=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300010982825	0	34	-1.0	-48.41	320.29	0.98	-47.43
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OCC)C=C1F)C(=O)[O-]	REAL300010982826	0	40	-1.0	-51.01	359.51	5.43	-45.58
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300010982827	0	40	-1.0	-51.20	370.26	5.42	-45.78
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300010982828	0	34	-1.0	-55.68	317.11	5.00	-50.68
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300010982829	0	34	-1.0	-50.64	312.22	4.89	-45.75
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300010982830	0	37	-1.0	-65.30	325.10	4.74	-60.56
CCC[C@@H](NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300010982831	0	40	-1.0	-54.33	362.98	5.25	-49.08
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982832	0	37	-1.0	-46.81	352.90	5.03	-41.78
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982832	1	36	-2.0	-131.60	343.47	5.35	-126.25
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC(C)=C1F)C(=O)[O-]	REAL300010982833	0	40	-1.0	-58.44	357.60	5.13	-53.31
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300010982834	0	38	-1.0	-53.42	328.10	4.01	-49.41
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300010982835	0	37	-1.0	-55.44	332.75	5.65	-49.79
CCC[C@@H](NS(=O)(=O)CCCC1CCOCC1)C(=O)[O-]	REAL300010982836	0	44	-1.0	-56.82	355.54	3.81	-53.01
CCC[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CCOCC3)C2=C1)C(=O)[O-]	REAL300010982837	0	46	-1.0	-48.14	391.67	1.58	-46.56
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300010982838	0	39	-1.0	-58.70	329.12	5.06	-53.64
CCC[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300010982839	0	38	-1.0	-61.19	341.89	1.64	-59.55
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(F)=C1)C(=O)[O-]	REAL300010982840	0	31	-1.0	-51.12	299.35	4.35	-46.77
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300010982841	0	31	-1.0	-50.78	297.15	3.54	-47.24
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300010982842	0	40	-1.0	-49.95	337.12	4.18	-45.77
CCC[C@@H](NS(=O)(=O)C1=COC(C(=O)N(C)C)=C1C)C(=O)[O-]	REAL300010982843	0	41	-1.0	-52.47	347.73	2.67	-49.80
CCC[C@@H](NS(=O)(=O)CCC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010982844	0	37	-1.0	-55.66	328.53	5.32	-50.34
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1F)C(=O)[O-]	REAL300010982845	0	37	-1.0	-58.98	327.71	5.28	-53.70
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010982846	0	37	-1.0	-57.82	334.70	5.61	-52.21
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(F)C=C1OC)C(=O)[O-]	REAL300010982847	0	35	-1.0	-53.01	331.96	4.33	-48.68
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1OC)CCCNC2=O)C(=O)[O-]	REAL300010982848	0	46	-1.0	-68.62	381.15	2.76	-65.86
CCC[C@@H](NS(=O)(=O)C1=CC2=C(CCN(C(C)=O)C2)S1)C(=O)[O-]	REAL300010982849	0	42	-1.0	-59.23	367.57	4.24	-54.99
CCC[C@@H](NS(=O)(=O)C1=C(C)C2=CC(C#N)=CC=C2S1)C(=O)[O-]	REAL300010982850	0	38	-1.0	-55.46	352.17	6.39	-49.07
CCC[C@@H](NS(=O)(=O)CC(OC)C1CCOC1)C(=O)[O-]	REAL300010982851	0	42	-1.0	-54.37	341.94	1.49	-52.88
CCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Br)C(=O)[O-]	REAL300010982852	0	34	-1.0	-54.62	323.49	5.12	-49.50
CCC[C@@H](NS(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010982853	0	35	-1.0	-43.32	334.04	1.30	-42.02
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C(N)=O)=C(Br)C=C1F)C(=O)[O-]	REAL300010982853	1	34	-2.0	-121.84	324.54	1.64	-120.20
CCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300010982854	0	34	-1.0	-55.32	320.26	5.02	-50.30
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300010982855	0	31	-1.0	-48.93	315.04	4.89	-44.04
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CC(C(N)=O)=C1)C(=O)[O-]	REAL300010982856	0	38	-1.0	-59.53	332.69	1.22	-58.31
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982857	0	56	-1.0	-52.86	457.09	8.71	-44.15
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)OC)C=C1)C(=O)[O-]	REAL300010982858	0	46	-1.0	-55.28	386.62	6.13	-49.15
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](CCC)C(=O)[O-]	REAL300010982859	0	41	-1.0	-43.14	367.79	6.00	-37.14
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)C(F)=C1)C(=O)[O-]	REAL300010982860	0	31	-1.0	-50.87	303.77	4.45	-46.42
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(F)=C1)C(=O)[O-]	REAL300010982861	0	37	-1.0	-55.29	336.05	4.47	-50.82
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010982862	0	45	-1.0	-57.12	385.17	6.83	-50.29
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300010982863	0	45	-1.0	-51.96	394.47	7.12	-44.84
CCC[C@@H](NS(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010982864	0	30	-1.0	-58.66	284.98	3.08	-55.58
CCC[C@@H]([N-]S(=O)(=O)C1=NC=CC=C1Br)C(=O)[O-]	REAL300010982864	1	29	-2.0	-138.25	282.77	2.87	-135.38
CCC[C@@H](NS(=O)(=O)C1=CC(C2=NC(C)=CO2)=CC=C1C)C(=O)[O-]	REAL300010982865	0	43	-1.0	-59.60	367.13	3.68	-55.92
CCC[C@@H](NS(=O)(=O)CC(OC)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300010982866	0	41	-1.0	-62.53	347.83	5.07	-57.46
CCC[C@@H](NS(=O)(=O)C1=CC2=C3C(=C1)CCN3C(=O)CC2)C(=O)[O-]	REAL300010982867	0	43	-1.0	-54.85	360.92	5.20	-49.65
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=NN1C)C(=O)[O-]	REAL300010982868	0	37	-1.0	-57.84	323.29	2.73	-55.11
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(Cl)=C1)C(=O)[O-]	REAL300010982869	0	39	-1.0	-52.78	358.89	2.67	-50.11
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=C(C(=O)OC)C=CC=C12)C(=O)[O-]	REAL300010982870	0	43	-1.0	-55.63	366.38	6.56	-49.07
CCC[C@@H](NS(=O)(=O)C1=CC=C(NC(=O)OC)C(C)=C1)C(=O)[O-]	REAL300010982871	0	42	-1.0	-54.56	362.71	2.95	-51.61
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982872	0	37	-1.0	-46.60	342.58	4.58	-42.02
CCC[C@@H]([N-]S(=O)(=O)C1=CC(F)=CC(C(=O)OC)=C1F)C(=O)[O-]	REAL300010982872	1	36	-2.0	-131.17	333.14	4.91	-126.26
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)N(C(C)=O)CC2)C(=O)[O-]	REAL300010982873	0	42	-1.0	-58.97	367.41	5.32	-53.65
CCC[C@@H](NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300010982874	0	44	-1.0	-52.50	366.79	5.46	-47.04
CCC[C@@H](NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300010982875	0	44	-1.0	-55.31	354.01	4.07	-51.24
CCC[C@@H](NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300010982876	0	47	-1.0	-53.52	367.49	4.57	-48.95
CCC[C@@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300010982877	0	34	-1.0	-51.38	317.39	3.33	-48.05
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)C	REAL300010982878	0	50	-1.0	-53.80	408.45	6.81	-46.99
CCC[C@@H](NS(=O)(=O)C1=CN=C2NC=C(Br)C=C12)C(=O)[O-]	REAL300010982879	0	34	-1.0	-64.40	327.45	3.64	-60.76
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C=C1OC)C(=O)[O-]	REAL300010982880	0	35	-1.0	-53.66	311.72	3.73	-49.93
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300010982881	0	39	-1.0	-50.35	337.21	6.16	-44.19
CCC[C@@H](NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300010982882	0	38	-1.0	-50.66	321.08	3.56	-47.10
CCC[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300010982883	0	44	-1.0	-50.49	380.09	6.08	-44.41
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010982884	0	37	-1.0	-53.77	335.66	3.20	-50.57
CCC[C@@H]([N-]S(=O)(=O)C1=CC(C)=C(C(=O)OC)O1)C(=O)[O-]	REAL300010982884	1	36	-2.0	-123.94	325.76	3.56	-120.38
CCC[C@@H](NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300010982885	0	44	-1.0	-63.11	376.92	5.75	-57.36
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982886	0	37	-1.0	-58.73	338.96	5.79	-52.94
CCC[C@@H](NS(=O)(=O)C1=CC=C2CN(C(C)=O)CC2=C1)C(=O)[O-]	REAL300010982887	0	42	-1.0	-62.70	360.23	4.26	-58.44
CCC[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300010982888	0	34	-1.0	-47.37	318.31	2.46	-44.91
CCC[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300010982889	0	42	-1.0	-56.64	377.35	7.87	-48.77
CCC[C@@H](NS(=O)(=O)C1=CC(F)=C(Br)C=C1C)C(=O)[O-]	REAL300010982890	0	34	-1.0	-51.50	315.08	5.08	-46.42
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300010982891	0	41	-1.0	-58.41	341.81	7.11	-51.30
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300010982892	0	51	-1.0	-53.59	432.35	8.66	-44.93
CCC[C@@H](NS(=O)(=O)CC1=CC(C)=CC=C1Br)C(=O)[O-]	REAL300010982893	0	37	-1.0	-57.31	338.74	5.71	-51.60
CCC[C@@H](NS(=O)(=O)CC1=C(Br)C=CC=C1OC)C(=O)[O-]	REAL300010982894	0	38	-1.0	-58.80	345.25	4.43	-54.37
CCC[C@@H](NS(=O)(=O)CCC1=C(F)C=CC=C1F)C(=O)[O-]	REAL300010982895	0	37	-1.0	-58.25	332.75	5.31	-52.94
CCC[C@@H](NS(=O)(=O)C1=CC=C(C)C(F)=C1F)C(=O)[O-]	REAL300010982896	0	34	-1.0	-46.40	307.44	4.56	-41.84
CCC[C@@H](NS(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010982897	0	30	-1.0	-48.24	299.08	2.47	-45.77
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Br)N=C1F)C(=O)[O-]	REAL300010982897	1	29	-2.0	-124.85	292.22	2.79	-122.06
CCC[C@@H](NS(=O)(=O)C1=CN=CC(OC(C)C)=C1)C(=O)[O-]	REAL300010982898	0	40	-1.0	-49.43	341.24	2.84	-46.59
CCC[C@@H](NS(=O)(=O)C1=CC=CN=C1OCC(F)F)C(=O)[O-]	REAL300010982899	0	37	-1.0	-60.69	337.86	2.28	-58.41
CCC[C@@H](NS(=O)(=O)C1=CC=CC(NC(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300010982900	0	38	-1.0	-59.65	352.55	3.06	-56.59
CCC[C@@H]([N-]S(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010982901	0	33	-2.0	-140.73	301.68	3.31	-137.42
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OC)C=CO1)C(=O)[O-]	REAL300010982901	1	34	-1.0	-61.42	311.09	2.83	-58.59
CCC[C@@H](NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300010982902	0	44	-1.0	-55.40	359.92	5.38	-50.02
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300010982903	0	37	-1.0	-49.90	348.21	5.64	-44.26
CCC[C@@H](NS(=O)(=O)C1=C(OC)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300010982904	0	39	-1.0	-58.34	345.38	4.82	-53.52
CCC[C@@H]([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982905	0	32	-2.0	-149.92	298.61	2.79	-147.13
CCC[C@@H](NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300010982905	1	33	-1.0	-61.00	305.07	2.81	-58.19
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=C(Cl)C=C1C)C(=O)[O-]	REAL300010982906	0	34	-1.0	-51.38	324.20	5.50	-45.88
CCC[C@@H](NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300010982907	0	40	-1.0	-55.49	328.74	6.94	-48.55
CCC[C@@H](NS(=O)(=O)C1=CC=CC=C1NC(=O)C(F)(F)F)C(=O)[O-]	REAL300010982908	0	38	-1.0	-51.25	345.91	3.90	-47.35
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)C(C)=CC2=C1)C(=O)[O-]	REAL300010982909	0	40	-1.0	-54.06	348.20	3.52	-50.54
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)N=NN2C)C(=O)[O-]	REAL300010982910	0	36	-1.0	-58.97	320.87	2.22	-56.75
CCC[C@@H](NS(=O)(=O)C1=C(C2=CC=CC=C2)SC(C)=N1)C(=O)[O-]	REAL300010982911	0	40	-1.0	-52.51	358.01	5.16	-47.35
CCC[C@@H](NS(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010982912	0	31	-1.0	-51.06	288.47	1.25	-49.81
CCC[C@@H]([N-]S(=O)(=O)C1=CNN=C1C(F)(F)F)C(=O)[O-]	REAL300010982912	1	30	-2.0	-124.53	285.90	1.65	-122.88
CCC[C@@H](NS(=O)(=O)C1=CC(C)=C([N+](=O)[O-])C=C1F)C(=O)[O-]	REAL300010982913	0	36	-1.0	-40.87	325.52	5.06	-35.81
CCC[C@@H](NS(=O)(=O)C1=CSN=C1C1=CC=CC=C1)C(=O)[O-]	REAL300010982914	0	37	-1.0	-55.21	326.28	4.76	-50.45
CCC[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C(=O)[O-]	REAL300010982915	0	48	0.0	-80.44	378.42	2.99	-77.45
CCC[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)C(=O)[O-]	REAL300010982915	1	47	-1.0	-56.85	374.60	0.46	-56.39
CCC[C@@H](NS(=O)(=O)C1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300010982916	0	31	-1.0	-52.22	298.83	1.87	-50.35
CCC[C@@H](NS(=O)(=O)C1=C(I)N(C)N=C1)C(=O)[O-]	REAL300010982917	0	31	-1.0	-51.68	303.35	2.30	-49.38
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(F)C=C1C#N)C(=O)[O-]	REAL300010982918	0	35	-1.0	-60.42	312.07	4.84	-55.58
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300010982919	0	40	-1.0	-51.32	345.98	2.31	-49.01
CCCCN1C=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C(C)=N1	REAL300010982920	0	43	-1.0	-52.76	365.09	4.40	-48.36
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=C(F)C=C1OC)C(=O)[O-]	REAL300010982921	0	41	-1.0	-55.65	364.40	4.32	-51.33
CCC[C@@H](NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)OC)C(=O)[O-]	REAL300010982922	0	41	-1.0	-62.32	346.82	4.48	-57.84
CCC[C@@H](NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300010982923	0	35	-1.0	-52.15	311.21	3.90	-48.25
CCC[C@@H](NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300010982924	0	47	-1.0	-54.33	386.95	6.01	-48.32
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300010982925	0	43	-1.0	-53.89	354.98	6.06	-47.83
CCC[C@@H](NS(=O)(=O)C1=CC(F)=CC(C#N)=C1)C(=O)[O-]	REAL300010982926	0	32	-1.0	-51.07	304.01	4.23	-46.84
CCC[C@@H](NS(=O)(=O)CC1=CC=C(F)C=C1Cl)C(=O)[O-]	REAL300010982927	0	34	-1.0	-53.62	320.51	4.98	-48.64
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300010982928	0	50	-1.0	-56.89	402.48	8.28	-48.61
CCC[C@@H](NS(=O)(=O)C1=C2N=CC(Br)=CN2N=C1C)C(=O)[O-]	REAL300010982929	0	36	-1.0	-57.98	340.59	3.96	-54.02
CCC[C@@H](NS(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010982930	0	28	-1.0	-58.51	275.10	2.05	-56.46
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)NC=N1)C(=O)[O-]	REAL300010982930	1	27	-2.0	-136.63	270.71	2.05	-134.58
CCC[C@@H](NS(=O)(=O)CCC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300010982931	0	39	-1.0	-60.03	345.24	4.62	-55.41
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010982932	0	30	-1.0	-48.23	300.32	2.93	-45.30
CCC[C@@H]([N-]S(=O)(=O)C1=CC(Cl)=CN=C1Cl)C(=O)[O-]	REAL300010982932	1	29	-2.0	-123.24	295.29	3.32	-119.92
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010982933	0	30	-1.0	-48.32	294.47	2.40	-45.92
CCC[C@@H]([N-]S(=O)(=O)C1=CC=C(Cl)N=C1F)C(=O)[O-]	REAL300010982933	1	29	-2.0	-124.48	287.62	2.71	-121.77
CCC[C@@H](NS(=O)(=O)C1=CC(Br)=CN=C1OC)C(=O)[O-]	REAL300010982934	0	34	-1.0	-51.99	324.37	1.65	-50.34
CCC[C@@H](NS(=O)(=O)C1=CC2=C(Cl)N=CC=C2C=C1)C(=O)[O-]	REAL300010982935	0	36	-1.0	-53.30	332.46	4.62	-48.68
CCC[C@@H](NS(=O)(=O)C1=CC=C2ON=C(Cl)C2=C1)C(=O)[O-]	REAL300010982936	0	33	-1.0	-50.40	316.46	3.65	-46.75
CCC[C@@H](NS(=O)(=O)C1=CC=CN=C1OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300010982937	0	41	-1.0	-46.90	368.31	4.72	-42.18
CCC[C@@H](NS(=O)(=O)CC1(C)CC1(Cl)Cl)C(=O)[O-]	REAL300010982938	0	34	-1.0	-52.12	318.36	4.60	-47.52
CCC[C@@H](NS(=O)(=O)CC1=C(Br)SC=N1)C(=O)[O-]	REAL300010982939	0	30	-1.0	-57.72	305.11	2.11	-55.61
CCC[C@@H](NS(=O)(=O)C1=CN=C2C(Br)=CSC2=C1)C(=O)[O-]	REAL300010982940	0	33	-1.0	-52.88	330.57	3.85	-49.03
CCC[C@@H](NS(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-]	REAL300010982941	0	37	-1.0	-75.09	322.71	1.44	-73.65
CCC[C@@H](NS(=O)(=O)C1=C([N+](=O)[O-])SC(C)=C1)C(=O)[O-]	REAL300010982942	0	33	-1.0	-54.25	308.43	5.05	-49.20
CCC[C@@H](NS(=O)(=O)C1CC(=O)N(C2CC2)C1)C(=O)[O-]	REAL300010982943	0	39	-1.0	-56.78	325.57	2.98	-53.80
CCC[C@@H](NS(=O)(=O)C1(C(=O)OCC)CCC1)C(=O)[O-]	REAL300010982944	0	40	-1.0	-52.79	323.77	4.02	-48.77
CCC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)C1)C(=O)[O-]	REAL300010982945	0	42	-1.0	-61.97	361.55	0.37	-61.60
CCC[C@@H](NS(=O)(=O)C1=CC2=NC(Cl)=NC=C2S1)C(=O)[O-]	REAL300010982946	0	32	-1.0	-48.42	322.58	2.92	-45.50
CCC[C@@H](NS(=O)(=O)CC1=CC=C(C(=O)OC)C=C1)C(=O)[O-]	REAL300010982947	0	40	-1.0	-59.48	355.43	5.14	-54.34
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010982948	0	33	-2.0	-134.31	319.48	5.17	-129.14
CCC[C@@H](NS(=O)(=O)C1=C(Br)C2=CC=CC=C2O1)C(=O)[O-]	REAL300010982948	1	34	-1.0	-54.73	325.81	4.97	-49.76
CCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010982949	0	34	-1.0	-51.31	305.62	2.42	-48.89
CCC[C@@H]([N-]S(=O)(=O)C1=C(C(F)(F)F)N(C)N=C1)C(=O)[O-]	REAL300010982949	1	33	-2.0	-125.11	301.47	2.82	-122.29
CCC[C@@H](NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300010982950	0	41	-1.0	-50.51	334.35	3.77	-46.74
CCC[C@@H](NS(=O)(=O)C1=CSC=C1Br)C(=O)[O-]	REAL300010982951	0	28	-1.0	-40.45	286.76	3.41	-37.04
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300010982952	0	43	-1.0	-55.69	338.18	3.76	-51.93
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300010982953	0	41	-1.0	-53.82	344.96	4.15	-49.67
CCC[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300010982954	0	34	-1.0	-45.20	306.97	2.59	-42.61
CCC[C@@H](NS(=O)(=O)C1=CN(C)N=C1Br)C(=O)[O-]	REAL300010982955	0	31	-1.0	-51.90	300.67	1.94	-49.96
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=N1)C(=O)[O-]	REAL300010982956	0	33	-1.0	-49.10	311.72	2.88	-46.22
CCC[C@@H](NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300010982957	0	38	-1.0	-58.01	334.96	3.92	-54.09
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300010982958	0	45	-1.0	-53.66	382.65	4.99	-48.67
C=CCCC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1	REAL300010982959	0	41	-1.0	-53.74	354.19	6.55	-47.19
CCC[C@@H](NS(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010982960	0	34	-1.0	-63.75	309.24	1.47	-62.28
CCC[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)OC)C(=O)[O-]	REAL300010982960	1	33	-2.0	-150.00	302.53	1.47	-148.53
CCC[C@@H](NS(=O)(=O)C1=CC(Cl)=C(Br)C=C1C)C(=O)[O-]	REAL300010982961	0	34	-1.0	-51.15	324.20	5.50	-45.65
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(C)=O)C(F)=C1)C(=O)[O-]	REAL300010982962	0	36	-1.0	-60.83	322.76	4.26	-56.57
CCC[C@@H](NS(=O)(=O)N=S(C)(=O)C(C)(C)C)C(=O)[O-]	REAL300010982963	0	40	-1.0	-74.15	341.87	1.88	-72.27
CCCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)C	REAL300010982964	0	53	-1.0	-52.18	429.95	7.60	-44.58
CCC[C@@H](NS(=O)(=O)C1=CC=C(F)C(C(F)F)=C1)C(=O)[O-]	REAL300010982965	0	34	-1.0	-54.92	316.18	4.72	-50.20
CCC[C@@H](NS(=O)(=O)C1=CC2=C(C=C1Cl)CCCC(=O)N2)C(=O)[O-]	REAL300010982966	0	42	-1.0	-58.93	364.14	4.40	-54.53
CCC[C@@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300010982967	0	35	-1.0	-52.67	326.62	5.53	-47.14
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300010982968	0	53	-1.0	-54.14	421.01	7.48	-46.66
CCCOC1=CC=C(S(=O)(=O)N[C@H](CCC)C(=O)[O-])C=C1CC	REAL300010982969	0	47	-1.0	-53.34	391.30	6.30	-47.04
CCC[C@@H](NS(=O)(=O)C1=CC=C(CCC#N)C=C1)C(=O)[O-]	REAL300010982970	0	38	-1.0	-59.00	340.51	5.74	-53.26
CCC[C@@H](NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300010982971	0	37	-1.0	-47.83	316.23	5.72	-42.11
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)N(C)C)=CC=C1OC)C(=O)[O-]	REAL300010982972	0	45	-1.0	-55.02	378.31	3.46	-51.56
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1Br)C(=O)[O-]	REAL300010982973	0	34	-1.0	-54.67	331.92	5.49	-49.18
CCC[C@@H](NS(=O)(=O)CC1=CC=CC(F)=C1Br)C(=O)[O-]	REAL300010982974	0	34	-1.0	-55.27	323.04	5.07	-50.20
CCC[C@@H](NS(=O)(=O)CC1=CC=C(N2C=CC=N2)C=C1)C(=O)[O-]	REAL300010982975	0	41	-1.0	-62.61	358.98	5.66	-56.95
CCC[C@@H](NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300010982976	0	37	-1.0	-54.80	336.01	5.75	-49.05
CCC[C@@H](NS(=O)(=O)C1=CC(C)=CN=C1Cl)C(=O)[O-]	REAL300010982977	0	33	-1.0	-51.72	305.02	3.07	-48.65
CCC[C@@H](NS(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010982978	0	35	-1.0	-61.25	324.16	3.98	-57.27
CCC[C@@H]([N-]S(=O)(=O)C1=C(Br)C=CC(OC)=C1F)C(=O)[O-]	REAL300010982978	1	34	-2.0	-135.17	317.29	4.36	-130.81
CCC[C@@H](NS(=O)(=O)CC1=C(C)C=C(C#N)C=C1C)C(=O)[O-]	REAL300010982979	0	41	-1.0	-56.24	351.44	6.07	-50.17
CCC[C@@H](NS(=O)(=O)C1=C(C(=O)OCC)C=NN1C)C(=O)[O-]	REAL300010982980	0	40	-1.0	-58.01	344.91	3.68	-54.33
CCC[C@@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300010982981	0	35	-1.0	-54.24	324.37	5.43	-48.81
CCC[C@@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300010982982	0	36	-1.0	-58.13	308.09	0.84	-57.29
CCC[C@@H](NS(=O)(=O)C1=C(C)OC(C(N)=O)=C1)C(=O)[O-]	REAL300010982983	0	35	-1.0	-59.61	315.89	-0.71	-60.32
CCC[C@@H](NS(=O)(=O)C1=CC=C(C(=O)OC)C(C(=O)OC)=C1)C(=O)[O-]	REAL300010982984	0	43	-1.0	-57.98	382.42	5.43	-52.55
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=C1COC)C(=O)[O-]	REAL300010982985	0	44	-1.0	-57.50	374.63	4.44	-53.06
CCC[C@@H](NS(=O)(=O)CC1=NOC2=C1CCCC2)C(=O)[O-]	REAL300010982986	0	40	-1.0	-61.17	338.75	4.49	-56.68
CCC[C@@H](NS(=O)(=O)C1=CSC=C1C(F)F)C(=O)[O-]	REAL300010982987	0	31	-1.0	-51.91	287.28	3.82	-48.09
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CC=N1)C(=O)[O-]	REAL300010982988	0	36	-1.0	-59.07	324.27	2.99	-56.08
CCC[C@@H](NS(=O)(=O)CCC1=CC=CC(F)=C1)C(=O)[O-]	REAL300010982989	0	37	-1.0	-55.32	328.53	5.33	-49.99
CCC[C@@H](NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300010982990	0	47	-1.0	-55.32	387.98	6.50	-48.82
CCC[C@@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300010982991	0	36	-1.0	-56.81	311.45	4.16	-52.65
CCC[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCN2C(C)=O)C(=O)[O-]	REAL300010982992	0	51	-1.0	-60.48	402.44	6.18	-54.30
CCC[C@@H](NS(=O)(=O)C1=CC(C(=O)OC)=CN1C)C(=O)[O-]	REAL300010982993	0	38	-1.0	-60.52	339.06	3.98	-56.54
CCC[C@@H](NS(=O)(=O)C1=CC=C2NC(=O)CC(C)(C)C2=C1)C(=O)[O-]	REAL300010982994	0	45	-1.0	-54.22	372.34	3.86	-50.36
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)C3CC3)C2=C1)C(=O)[O-]	REAL300010982995	0	46	-1.0	-65.12	387.66	6.41	-58.71
CCC[C@@H](NS(=O)(=O)C1=CC=C2CCN(C(=O)CC)C2=C1)C(=O)[O-]	REAL300010982996	0	45	-1.0	-74.58	377.57	5.72	-68.86
CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	REAL300010982997	0	38	-2.0	-100.54	312.98	3.15	-97.39
CCC[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300010982998	0	46	-1.0	-53.78	405.66	7.65	-46.13
CCC[C@@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300010982999	0	38	-1.0	-54.75	327.73	3.45	-51.30
CCC[C@@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300010983000	0	38	-1.0	-49.34	320.93	3.52	-45.82
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087096	0	45	-1.0	-56.18	369.63	7.02	-49.16
CCOC1=CC(N2CCN(C3=NC(C(=O)[O-])=CO3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087097	0	43	-1.0	-55.48	359.10	4.23	-51.25
CCOC1=CC(N2CCN(C3=NC=C(C(=O)[O-])C=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087098	0	45	-1.0	-47.20	370.20	8.47	-38.73
CCOC1=CC(N2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087099	0	47	0.0	-56.01	376.16	8.74	-47.27
CCOC1=CC(N2CCN(C3=NC=NC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087100	0	45	-1.0	-46.48	370.16	8.83	-37.65
CCOC1=CC(N2CCN(C3=NC=C(C(=O)[O-])C=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087101	0	45	-1.0	-47.20	370.20	8.47	-38.73
CCOC1=CC(N2CCN(C3=NC=C(C(=O)[O-])S3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087102	0	43	-1.0	-52.31	365.96	7.35	-44.96
CCOC1=CC(N2CCN(C3=CC(C(=O)[O-])=NC=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087103	0	45	-1.0	-51.98	369.81	8.05	-43.93
CCOC1=CC(N2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087104	0	47	0.0	-56.17	376.02	9.55	-46.62
CCOC1=CC(N2CCN(C3=NC=CC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087104	1	46	-1.0	-51.42	375.03	9.11	-42.31
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])C=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087105	0	46	-1.0	-52.48	373.55	8.24	-44.24
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])C=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087105	1	47	0.0	-51.82	374.34	8.53	-43.29
CCOC1=CC(N2CCN(C3=CC(C(=O)[O-])=CC=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087106	0	47	0.0	-57.06	374.82	8.58	-48.48
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])C(C)=[NH+]3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087107	0	50	0.0	-49.42	389.99	8.83	-40.59
CCOC1=CC(N2CCN(C3=CN=C(C(=O)[O-])C=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087108	0	45	-1.0	-54.25	369.29	6.38	-47.87
CCOC1=CC(N2CCN(C3=NC=C(C(=O)[O-])C(C)=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087109	0	48	-1.0	-46.81	386.66	8.99	-37.82
CCOC1=CC(N2CCN(C3=CC=C(C(=O)[O-])N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087110	0	45	-1.0	-56.18	369.63	7.02	-49.16
CCOC1=CC(N2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087111	0	47	0.0	-56.01	376.16	8.74	-47.27
CCOC1=CC(N2CCN(C3=CC=[NH+]C(C(=O)[O-])=C3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087112	0	47	0.0	-45.95	374.37	7.50	-38.45
CCOC1=CC(N2CCN(C3=CC=NC(C(=O)[O-])=C3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087112	1	46	-1.0	-58.65	371.95	7.09	-51.56
CCOC1=CC(N2CCN(C3=[NH+]C(C)=CC=C3C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300011087113	0	50	0.0	-51.13	397.43	10.12	-41.01
O=C([O-])C1=CC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=C1[N+](=O)[O-]	REAL300011087114	0	47	-1.0	-64.08	400.54	13.77	-50.31
O=C([O-])C1=CC=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)N=N1	REAL300011087115	0	43	-1.0	-56.17	351.10	10.37	-45.80
O=C([O-])C1=COC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=N1	REAL300011087116	0	41	-1.0	-55.45	345.32	8.28	-47.17
O=C([O-])C1=CN=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)N=C1	REAL300011087117	0	43	-1.0	-47.77	355.05	12.58	-35.19
O=C([O-])C1=CC=NC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=C1[N+](=O)[O-]	REAL300011087118	0	46	-1.0	-54.65	386.65	11.48	-43.17
O=C([O-])C1=CN=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)N=C1	REAL300011087119	0	43	-1.0	-47.77	355.05	12.58	-35.19
O=C([O-])C1=CN=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)S1	REAL300011087120	0	41	-1.0	-54.11	348.29	10.71	-43.40
O=C([O-])C1=CC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=NC=N1	REAL300011087121	0	43	-1.0	-52.67	351.36	11.37	-41.30
O=C([O-])C1=CC=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)N=C1	REAL300011087122	0	44	-1.0	-52.37	354.99	11.55	-40.82
O=C([O-])C1=CC=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)[NH+]=C1	REAL300011087122	1	45	0.0	-44.19	355.20	11.88	-32.31
O=C([O-])C1=CC2=NC=NC(N(CC3=CC=CC(C4=CC=CN=C4)=C3)C3CC3)=C2C=C1	REAL300011087123	0	49	-1.0	-50.54	403.05	12.49	-38.05
O=C([O-])C1=CC=[NH+]C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=C1	REAL300011087124	0	45	0.0	-52.51	351.60	11.69	-40.82
CC1=[NH+]C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=C1C(=O)[O-]	REAL300011087125	0	48	0.0	-42.93	376.25	12.71	-30.22
O=C([O-])C1=CN=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)C=N1	REAL300011087126	0	43	-1.0	-54.39	350.71	9.64	-44.75
CC1=NC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=NC=C1C(=O)[O-]	REAL300011087127	0	46	-1.0	-52.02	365.34	12.88	-39.14
O=C([O-])C1=CC=C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)N=N1	REAL300011087128	0	43	-1.0	-56.17	351.10	10.37	-45.80
O=C([O-])C1=CC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=[NH+]1	REAL300011087129	0	45	0.0	-44.14	373.18	11.34	-32.80
O=C([O-])C1=CC(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=CC=N1	REAL300011087129	1	44	-1.0	-57.60	349.15	10.19	-47.41
CC1=CC=C(C(=O)[O-])C(N(CC2=CC=CC(C3=CC=CN=C3)=C2)C2CC2)=[NH+]1	REAL300011087130	0	48	0.0	-54.07	390.13	12.21	-41.86
CC1CC2=CC(C3=CC=C(CNC4=CC=C(C(=O)[O-])N=N4)C=C3)=CC=C2O1	REAL300011087131	0	45	-1.0	-54.61	375.45	9.71	-44.90
CC1CC2=CC(C3=CC=C(CNC4=NC(C(=O)[O-])=CO4)C=C3)=CC=C2O1	REAL300011087132	0	43	-1.0	-53.02	364.46	6.96	-46.06
CC1CC2=CC(C3=CC=C(CNC4=NC=C(C(=O)[O-])C=N4)C=C3)=CC=C2O1	REAL300011087133	0	45	-1.0	-45.50	376.59	11.45	-34.05
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087134	0	47	0.0	-46.54	378.03	10.63	-35.91
CC1CC2=CC(C3=CC=C(CNC4=NC=NC=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087135	0	45	-1.0	-45.51	371.51	11.12	-34.39
CC1CC2=CC(C3=CC=C(CNC4=NC=C(C(=O)[O-])C=N4)C=C3)=CC=C2O1	REAL300011087136	0	45	-1.0	-45.50	376.59	11.45	-34.05
CC1CC2=CC(C3=CC=C(CNC4=NC=C(C(=O)[O-])S4)C=C3)=CC=C2O1	REAL300011087137	0	43	-1.0	-51.12	372.46	10.17	-40.95
CC1CC2=CC(C3=CC=C(CNC4=CC(C(=O)[O-])=NC=N4)C=C3)=CC=C2O1	REAL300011087138	0	45	-1.0	-50.26	375.61	10.60	-39.66
CC1CC2=CC(C3=CC=C(CNC4=NC=CC=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087139	0	46	-1.0	-50.28	376.38	11.32	-38.96
CC1CC2=CC(C3=CC=C(CNC4=CC=C(C(=O)[O-])C=N4)C=C3)=CC=C2O1	REAL300011087140	0	46	-1.0	-50.93	379.39	10.77	-40.16
CC1CC2=CC(C3=CC=C(CNC4=CC(C(=O)[O-])=CC=N4)C=C3)=CC=C2O1	REAL300011087141	0	46	-1.0	-49.13	379.86	10.78	-38.35
CC1CC2=CC(C3=CC=C(CNC4=CC(C(=O)[O-])=CC=[NH+]4)C=C3)=CC=C2O1	REAL300011087141	1	47	0.0	-49.28	383.02	11.25	-38.03
CC1=NC(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=CC=C1C(=O)[O-]	REAL300011087142	0	49	-1.0	-49.96	395.68	11.28	-38.68
CC1=[NH+]C(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=CC=C1C(=O)[O-]	REAL300011087142	1	50	0.0	-44.16	398.52	11.72	-32.44
CC1CC2=CC(C3=CC=C(CNC4=CN=C(C(=O)[O-])C=N4)C=C3)=CC=C2O1	REAL300011087143	0	45	-1.0	-53.14	375.18	8.91	-44.23
CC1=NC(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=NC=C1C(=O)[O-]	REAL300011087144	0	48	-1.0	-45.09	393.05	11.97	-33.12
CC1CC2=CC(C3=CC=C(CNC4=CC=C(C(=O)[O-])N=N4)C=C3)=CC=C2O1	REAL300011087145	0	45	-1.0	-54.61	375.45	9.71	-44.90
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C=C4C(=O)[O-])C=C3)=CC=C2O1	REAL300011087146	0	47	0.0	-46.54	378.03	10.63	-35.91
CC1CC2=CC(C3=CC=C(CNC4=CC=[NH+]C(C(=O)[O-])=C4)C=C3)=CC=C2O1	REAL300011087147	0	47	0.0	-39.55	383.02	10.35	-29.20
CC1CC2=CC(C3=CC=C(CNC4=CC=NC(C(=O)[O-])=C4)C=C3)=CC=C2O1	REAL300011087147	1	46	-1.0	-56.50	380.61	9.94	-46.56
CC1=CC=C(C(=O)[O-])C(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=N1	REAL300011087148	0	49	-1.0	-51.08	397.97	11.93	-39.15
CC1=CC=C(C(=O)[O-])C(NCC2=CC=C(C3=CC=C4OC(C)CC4=C3)C=C2)=[NH+]1	REAL300011087148	1	50	0.0	-43.08	399.11	12.24	-30.84
C=CCCOCCNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C)=N1	REAL300011087149	0	40	-1.0	-48.23	343.38	7.41	-40.82
C=CCCOCCNC1=C2C(C)=C(C(=O)[O-])SC2=NC(CN(C)C)=N1	REAL300011087150	0	48	-1.0	-47.95	398.95	6.21	-41.74
C=CCCOCCNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1	REAL300011087150	1	49	0.0	-67.03	401.37	8.69	-58.34
C=CCCOCCNC1=C2C(C)=C(C(=O)[O-])SC2=NC=N1	REAL300011087151	0	37	-1.0	-47.40	321.55	7.46	-39.94
C=CCCOCCNC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-]	REAL300011087152	0	38	-1.0	-56.20	332.12	1.29	-54.91
C=CCCOCCNC1=C(C(=O)[O-])C=NC2=C(OC)C=CC=C21	REAL300011087153	0	42	-1.0	-52.56	348.02	6.22	-46.34
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12	REAL300011087154	0	45	0.0	-35.66	361.89	8.70	-26.96
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21	REAL300011087155	0	42	0.0	-37.61	343.35	7.93	-29.68
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12	REAL300011087156	0	45	0.0	-35.61	357.40	8.61	-27.00
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21	REAL300011087157	0	43	0.0	-40.08	352.37	6.61	-33.47
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12	REAL300011087158	0	42	0.0	-36.53	340.83	8.08	-28.45
C=CCCOCCNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087159	0	42	0.0	-42.39	349.87	5.93	-36.46
C=CCCOCCNC1=C(C(=O)[O-])C=NC2=C(OC)C=C(OC)C=C21	REAL300011087160	0	46	-1.0	-52.32	378.03	5.54	-46.78
C=CCCOCCNC1=C(C(=O)[O-])C=NC2=C(OC)C=C(Cl)C(OC)=C21	REAL300011087161	0	46	-1.0	-54.13	388.46	6.65	-47.48
C=CCCOCCNC1=NC2=CC=CC=C2C(C)=C1C(=O)[O-]	REAL300011087162	0	41	-1.0	-54.39	342.37	8.33	-46.06
C=CCCOCCNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300011087163	0	35	-1.0	-42.44	315.54	6.80	-35.64
CCC(CNC1=C(C(=O)[O-])N=NC2=CC=CC=C21)OC1=CC=CC=C1Cl	REAL300011087164	0	43	-1.0	-69.16	366.90	8.72	-60.44
CCC(CNC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC=C1Cl	REAL300011087165	0	41	-1.0	-66.38	358.76	10.13	-56.25
CCC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC=N1)OC1=CC=CC=C1Cl	REAL300011087166	0	43	-1.0	-48.79	372.72	10.54	-38.25
CCC(CNC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087167	0	44	-1.0	-58.75	381.62	4.28	-54.47
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)OC1=CC=CC=C1Cl	REAL300011087168	0	51	0.0	-45.69	411.13	11.57	-34.12
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC=C1Cl	REAL300011087169	0	48	0.0	-47.06	394.86	10.91	-36.15
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC=C1Cl	REAL300011087170	0	51	0.0	-44.55	407.13	11.52	-33.03
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC=C1Cl	REAL300011087171	0	48	0.0	-46.58	390.39	10.93	-35.65
CCC(CNC1=CC=C(C(=O)[O-])N=N1)OC1=CC=CC=C1Cl	REAL300011087172	0	37	-1.0	-55.50	322.68	7.06	-48.44
CCC(CNC1=NC(C(=O)[O-])=CO1)OC1=CC=CC=C1Cl	REAL300011087173	0	35	-1.0	-54.00	311.69	4.31	-49.69
CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1Cl	REAL300011087174	0	37	-1.0	-46.07	324.22	8.80	-37.27
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087175	0	39	0.0	-47.64	325.57	7.97	-39.67
CCC(CNC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087176	0	40	-1.0	-54.77	355.36	9.81	-44.96
CCC(CNC1=NC=NC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087177	0	37	-1.0	-46.42	319.56	8.50	-37.92
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087178	0	44	-1.0	-50.06	379.60	10.69	-39.37
CCC(CNC1=NC2=CC=CC=C2C(C)=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087179	0	47	-1.0	-56.14	391.36	11.25	-44.89
CCC(CNC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087180	0	44	-1.0	-53.14	373.18	10.58	-42.56
CCC(CNC1=NC(C(=O)[O-])=CC=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087181	0	40	-1.0	-44.67	353.71	9.36	-35.31
CCC(CNC1=NC(C)=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087182	0	43	-1.0	-54.65	377.66	10.40	-44.25
CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1Cl	REAL300011087183	0	37	-1.0	-46.07	324.22	8.80	-37.27
CCC(CNC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087184	0	40	-1.0	-43.97	352.25	9.28	-34.69
CCC(CNC1=NC=C(C(=O)[O-])S1)OC1=CC=CC=C1Cl	REAL300011087185	0	35	-1.0	-51.40	320.39	7.48	-43.92
CCC(CNC1=CC(C(=O)[O-])=NC=N1)OC1=CC=CC=C1Cl	REAL300011087186	0	37	-1.0	-50.50	323.54	7.92	-42.58
CCC(CNC1=NC=CC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087187	0	38	-1.0	-51.02	324.21	8.63	-42.39
CCC(CNC1=CC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1Cl	REAL300011087188	0	38	-1.0	-51.74	327.02	8.14	-43.60
CCC(CNC1=NC=NC2=CC(C(=O)[O-])=CC=C21)OC1=CC=CC=C1Cl	REAL300011087189	0	43	-1.0	-53.13	367.17	10.47	-42.66
CCC(CNC1=CC(C(=O)[O-])=CC=N1)OC1=CC=CC=C1Cl	REAL300011087190	0	38	-1.0	-49.34	327.39	8.08	-41.26
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC=C1Cl	REAL300011087190	1	39	0.0	-46.84	330.25	8.61	-38.23
CCC(CNC1=C(C(=O)[O-])C=CC=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087191	0	41	-1.0	-42.42	351.88	10.07	-32.35
CCC(CNC1=CC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC=C1Cl	REAL300011087192	0	41	-1.0	-50.43	342.81	8.57	-41.86
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC=C1Cl	REAL300011087192	1	42	0.0	-41.83	345.33	9.05	-32.78
CCC(CNC1=CN=C(C(=O)[O-])C=N1)OC1=CC=CC=C1Cl	REAL300011087193	0	37	-1.0	-53.77	322.29	6.25	-47.52
CCC(CNC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087194	0	40	-1.0	-43.97	352.25	9.28	-34.69
CCC(CNC1=NC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC=C1Cl	REAL300011087195	0	40	-1.0	-45.48	340.79	9.26	-36.22
CCC(CNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087196	0	41	-1.0	-43.87	365.08	9.79	-34.08
CCC(CNC1=CC=C(C(=O)[O-])N=N1)OC1=CC=CC=C1Cl	REAL300011087197	0	37	-1.0	-55.50	322.68	7.06	-48.44
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1Cl	REAL300011087198	0	44	-1.0	-50.06	379.60	10.69	-39.37
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087199	0	39	0.0	-47.64	325.57	7.97	-39.67
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC=C1Cl	REAL300011087200	0	39	0.0	-38.91	330.55	7.66	-31.25
CCC(CNC1=CC=NC(C(=O)[O-])=C1)OC1=CC=CC=C1Cl	REAL300011087200	1	38	-1.0	-57.51	327.84	7.29	-50.22
CCC(CNC1=NC(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087201	0	41	-1.0	-51.89	346.21	9.31	-42.58
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1Cl	REAL300011087201	1	42	0.0	-43.16	346.44	9.59	-33.57
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CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCCOCC3CCCC3)=C12	REAL300011087204	0	46	-1.0	-48.28	374.44	8.79	-39.49
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCCOCC3CCCC3)=C12	REAL300011087205	0	54	-1.0	-47.95	430.01	7.58	-40.37
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCCOCC3CCCC3)=C12	REAL300011087205	1	55	0.0	-65.99	432.43	10.07	-55.92
CC1=C(C(=O)[O-])SC2=NC=NC(NCCOCC3CCCC3)=C12	REAL300011087206	0	43	-1.0	-47.47	352.60	8.83	-38.64
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COC1=CC=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=CN=C12	REAL300011087208	0	48	-1.0	-61.13	380.97	7.61	-53.52
CC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087209	0	51	0.0	-35.43	392.96	10.07	-25.36
CC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087210	0	48	0.0	-37.37	374.41	9.30	-28.07
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCCOCC3CCCC3)=C2C=C1	REAL300011087211	0	51	0.0	-41.95	389.33	9.93	-32.02
COC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087212	0	49	0.0	-39.33	382.52	7.94	-31.39
CC1=CC=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087213	0	48	0.0	-42.64	372.89	9.42	-33.22
O=C([O-])C1=C(NCCOCC2CCCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087214	0	48	0.0	-42.09	380.08	7.23	-34.86
COC1=CC2=C(NCCOCC3CCCC3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087215	0	52	-1.0	-52.53	409.10	6.92	-45.61
O=C([O-])C1=CC=NC(NCCOCC2CCCC2)=C1[N+](=O)[O-]	REAL300011087216	0	40	-1.0	-52.40	337.87	8.22	-44.18
O=C([O-])CC1=CC=C(NCCOCC2CCCC2)C([N+](=O)[O-])=C1	REAL300011087217	0	44	-1.0	-48.83	362.07	9.14	-39.69
CC1=C(C(=O)[O-])C(NCCOCC2CCCC2)=NC2=CC=CC=C21	REAL300011087218	0	47	-1.0	-55.31	373.43	9.70	-45.61
CC1=CC(NCCOCC2CCCC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087219	0	44	-1.0	-51.48	355.92	9.01	-42.47
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCCOCC2CCCC2)=N1	REAL300011087220	0	40	-1.0	-42.41	335.20	7.73	-34.68
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCCOCC2CCCC2)=N1	REAL300011087221	0	43	-1.0	-52.54	359.47	8.84	-43.70
O=C([O-])C1=CN=C(NCCOCC2CCCC2)C([N+](=O)[O-])=C1	REAL300011087222	0	40	-1.0	-41.91	334.23	7.68	-34.23
O=C([O-])C1=CC2=NC=NC(NCCOCC3CCCC3)=C2C=C1	REAL300011087223	0	43	-1.0	-51.26	349.28	8.87	-42.39
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCCOCC1CCCC1	REAL300011087224	0	41	-1.0	-50.27	334.30	8.53	-41.74
O=C([O-])C1=CN=C(NCCOCC2CCCC2)C([N+](=O)[O-])=C1	REAL300011087225	0	40	-1.0	-41.91	334.23	7.68	-34.23
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCCOCC1CCCC1	REAL300011087226	0	41	-1.0	-43.19	346.60	8.18	-35.01
O=C([O-])CC1=CC=C(NCCOCC2CCCC2)C([N+](=O)[O-])=C1	REAL300011087227	0	44	-1.0	-48.83	362.07	9.14	-39.69
CN(CCOCC1CC1)C1=C(C(=O)[O-])N=NC2=CC=CC=C21	REAL300011087228	0	40	-1.0	-66.32	323.56	6.92	-59.40
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N(C)CCOCC3CC3)=C12	REAL300011087229	0	43	-1.0	-45.28	359.05	9.27	-36.01
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(N(C)CCOCC3CC3)=C12	REAL300011087230	0	51	-1.0	-50.02	415.47	7.75	-42.27
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N(C)CCOCC3CC3)=C12	REAL300011087230	1	52	0.0	-70.56	417.88	10.23	-60.33
CC1=C(C(=O)[O-])SC2=NC=NC(N(C)CCOCC3CC3)=C12	REAL300011087231	0	40	-1.0	-49.21	337.96	9.01	-40.20
CN(CCOCC1CC1)C1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-]	REAL300011087232	0	41	-1.0	-61.85	349.19	2.93	-58.92
COC1=CC=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=CN=C12	REAL300011087233	0	45	-1.0	-61.03	356.50	7.38	-53.65
CC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087234	0	48	0.0	-39.52	368.87	10.29	-29.23
CC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087235	0	45	0.0	-41.71	351.22	9.52	-32.19
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N(C)CCOCC3CC3)=C2C=C1	REAL300011087236	0	48	0.0	-39.77	364.71	10.11	-29.66
COC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087237	0	46	0.0	-43.53	360.60	7.83	-35.70
CC1=CC=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087238	0	45	0.0	-41.03	349.03	9.29	-31.74
CN(CCOCC1CC1)C1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087239	0	45	0.0	-42.00	356.56	7.09	-34.91
COC1=CC2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087240	0	49	-1.0	-57.25	385.00	7.15	-50.10
COC1=CC(Cl)=C(OC)C2=C(N(C)CCOCC3CC3)C(C(=O)[O-])=CN=C12	REAL300011087241	0	49	-1.0	-42.87	391.92	8.72	-34.15
CN(CCOCC1CC1)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087242	0	41	-1.0	-49.42	345.51	9.46	-39.96
CC1=C(C(=O)[O-])C(N(C)CCOCC2CC2)=NC2=CC=CC=C21	REAL300011087243	0	44	-1.0	-61.95	358.28	8.88	-53.07
CC1=CC(N(C)CCOCC2CC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087244	0	41	-1.0	-54.32	341.65	9.70	-44.62
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N(C)CCOCC2CC2)=N1	REAL300011087245	0	40	-1.0	-54.65	344.17	7.82	-46.83
CN(CCOCC1CC1)C1=NC=NC2=CC(C(=O)[O-])=CC=C21	REAL300011087246	0	40	-1.0	-48.24	336.42	8.14	-40.10
CN(CCOCC1CC1)C1=NC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300011087247	0	38	-1.0	-47.15	333.16	8.01	-39.14
CN(CCOCC1CC1)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087248	0	41	-1.0	-49.42	345.51	9.46	-39.96
C[NH+](C)CCCOC1CCN(C2=C(C(=O)[O-])N=NC3=CC=CC=C32)CC1	REAL300011087249	0	52	0.0	-87.84	393.43	8.55	-79.29
C[NH+](C)CCCOC1CCN(C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300011087250	0	50	0.0	-87.25	390.49	9.49	-77.76
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCC(OCCC[NH+](C)C)CC3)=C12	REAL300011087251	0	55	0.0	-71.66	430.98	10.69	-60.97
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(OCCC[NH+](C)C)CC3)=C12	REAL300011087252	0	52	0.0	-71.10	409.73	10.56	-60.54
C[NH+](C)CCCOC1CCN(C2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CC1	REAL300011087253	0	53	0.0	-81.62	419.91	4.63	-76.99
COC1=CC=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=CN=C12	REAL300011087254	0	57	0.0	-82.22	426.59	9.01	-73.21
CC1=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087255	0	60	1.0	-73.00	439.82	11.45	-61.55
CC1=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087256	0	57	1.0	-74.96	421.88	10.70	-64.26
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(OCCC[NH+](C)C)CC3)=C2C=C1	REAL300011087257	0	60	1.0	-73.15	435.93	11.35	-61.80
COC1=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087258	0	58	1.0	-74.37	430.01	9.33	-65.04
CC1=CC=CC2=C(N3CCC(OCCC[NH+](C)C)CC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087259	0	57	1.0	-74.10	418.45	10.81	-63.29
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])N=N2)CC1	REAL300011087260	0	46	0.0	-75.95	357.63	6.58	-69.37
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300011087261	0	46	0.0	-67.52	358.23	8.06	-59.46
C[NH+](C)CCCOC1CCN(C2=CC=[NH+]C=C2C(=O)[O-])CC1	REAL300011087262	0	48	1.0	-84.47	364.55	8.29	-76.18
C[NH+](C)CCCOC1CCN(C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1	REAL300011087263	0	49	0.0	-76.03	393.18	8.96	-67.07
C[NH+](C)CCCOC1CCN(C2=NC=NC=C2C(=O)[O-])CC1	REAL300011087264	0	46	0.0	-68.27	358.46	8.36	-59.91
C[NH+](C)CCCOC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087265	0	53	0.0	-72.62	416.23	11.14	-61.48
CC1=C(C(=O)[O-])C(N2CCC(OCCC[NH+](C)C)CC2)=NC2=CC=CC=C21	REAL300011087266	0	56	0.0	-78.26	429.00	10.63	-67.63
CC1=CC(N2CCC(OCCC[NH+](C)C)CC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087267	0	53	0.0	-77.33	409.83	10.88	-66.45
C[NH+](C)CCCOC1CCN(C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])CC1	REAL300011087268	0	49	0.0	-63.82	392.45	9.35	-54.47
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(OCCC[NH+](C)C)CC2)=N1	REAL300011087269	0	52	0.0	-75.85	414.27	9.73	-66.12
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=N2)CC1	REAL300011087270	0	46	0.0	-67.52	358.23	8.06	-59.46
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087271	0	49	0.0	-65.58	391.45	9.33	-56.25
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])S2)CC1	REAL300011087272	0	44	0.0	-72.78	353.91	6.90	-65.88
C[NH+](C)CCCOC1CCN(C2=CC(C(=O)[O-])=NC=N2)CC1	REAL300011087273	0	46	0.0	-72.72	357.80	7.62	-65.10
C[NH+](C)CCCOC1CCN(C2=[NH+]C=CC=C2C(=O)[O-])CC1	REAL300011087274	0	48	1.0	-85.48	364.42	9.10	-76.38
C[NH+](C)CCCOC1CCN(C2=NC=CC=C2C(=O)[O-])CC1	REAL300011087274	1	47	0.0	-73.03	363.33	8.65	-64.38
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300011087275	0	47	0.0	-72.31	361.60	7.81	-64.50
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])C=[NH+]2)CC1	REAL300011087275	1	48	1.0	-76.61	362.37	8.09	-68.52
C[NH+](C)CCCOC1CCN(C2=NC=NC3=CC(C(=O)[O-])=CC=C32)CC1	REAL300011087276	0	52	0.0	-74.27	405.79	9.83	-64.44
C[NH+](C)CCCOC1CCN(C2=CC(C(=O)[O-])=CC=[NH+]2)CC1	REAL300011087277	0	48	1.0	-82.18	362.85	8.12	-74.06
C[NH+](C)CCCOC1CCN(C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])CC1	REAL300011087278	0	50	0.0	-58.93	381.90	9.74	-49.19
CC1=[NH+]C(N2CCC(OCCC[NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300011087279	0	51	1.0	-74.36	378.06	8.39	-65.97
C[NH+](C)CCCOC1CCN(C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300011087280	0	46	0.0	-74.28	357.28	5.94	-68.34
C[NH+](C)CCCOC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087281	0	49	0.0	-65.58	391.45	9.33	-56.25
CC1=NC(N2CCC(OCCC[NH+](C)C)CC2)=NC=C1C(=O)[O-]	REAL300011087282	0	49	0.0	-67.19	374.68	8.55	-58.64
C[NH+](C)CCCOC1CCN(C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CC1	REAL300011087283	0	50	0.0	-65.10	403.00	9.67	-55.43
C[NH+](C)CCCOC1CCN(C2=CC=C(C(=O)[O-])N=N2)CC1	REAL300011087284	0	46	0.0	-75.95	357.63	6.58	-69.37
C[NH+](C)CCCOC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1	REAL300011087285	0	53	0.0	-72.62	416.23	11.14	-61.48
C[NH+](C)CCCOC1CCN(C2=CC=[NH+]C=C2C(=O)[O-])CC1	REAL300011087286	0	48	1.0	-84.47	364.55	8.29	-76.18
C[NH+](C)CCCOC1CCN(C2=CC=[NH+]C(C(=O)[O-])=C2)CC1	REAL300011087287	0	48	1.0	-70.80	362.40	7.06	-63.74
C[NH+](C)CCCOC1CCN(C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300011087287	1	47	0.0	-78.96	360.00	6.64	-72.32
CC1=CC=C(C(=O)[O-])C(N2CCC(OCCC[NH+](C)C)CC2)=[NH+]1	REAL300011087288	0	51	1.0	-80.31	385.77	9.66	-70.65
CCC(CNC1=C(C(=O)[O-])N=NC2=CC=CC=C21)OC1=CC=CC=C1F	REAL300011087289	0	43	-1.0	-74.76	357.14	8.25	-66.51
CCC(CNC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC=C1F	REAL300011087290	0	41	-1.0	-67.74	348.96	9.65	-58.09
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CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC=C1F	REAL300011087296	0	48	0.0	-51.93	385.04	10.41	-41.52
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC=C1F	REAL300011087297	0	51	0.0	-49.78	397.31	11.02	-38.76
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21)OC1=CC=CC=C1F	REAL300011087298	0	49	0.0	-52.53	391.50	8.96	-43.57
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC=C1F	REAL300011087299	0	48	0.0	-50.96	380.61	10.45	-40.51
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CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1F	REAL300011087302	0	37	-1.0	-47.54	314.41	8.31	-39.23
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087303	0	39	0.0	-49.62	315.77	7.49	-42.13
CCC(CNC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087304	0	40	-1.0	-56.46	345.55	9.33	-47.13
CCC(CNC1=NC=NC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087305	0	37	-1.0	-48.32	309.75	8.03	-40.29
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087306	0	44	-1.0	-51.55	369.79	10.21	-41.34
CCC(CNC1=NC2=CC=CC=C2C(C)=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087307	0	47	-1.0	-58.30	381.56	10.76	-47.54
CCC(CNC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087308	0	44	-1.0	-55.32	363.38	10.11	-45.21
CCC(CNC1=NC(C(=O)[O-])=CC=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087309	0	40	-1.0	-46.32	343.90	8.87	-37.45
CCC(CNC1=NC(C)=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087310	0	43	-1.0	-56.36	367.86	9.91	-46.45
CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1F	REAL300011087311	0	37	-1.0	-47.54	314.41	8.31	-39.23
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CCC(CNC1=NC=C(C(=O)[O-])S1)OC1=CC=CC=C1F	REAL300011087313	0	35	-1.0	-52.79	310.59	6.99	-45.80
CCC(CNC1=CC(C(=O)[O-])=NC=N1)OC1=CC=CC=C1F	REAL300011087314	0	37	-1.0	-52.00	313.74	7.44	-44.56
CCC(CNC1=NC=CC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087315	0	38	-1.0	-53.14	314.41	8.14	-45.00
CCC(CNC1=CC=C(C(=O)[O-])C=N1)OC1=CC=CC=C1F	REAL300011087316	0	38	-1.0	-53.13	317.22	7.64	-45.49
CCC(CNC1=NC=NC2=CC(C(=O)[O-])=CC=C21)OC1=CC=CC=C1F	REAL300011087317	0	43	-1.0	-54.41	357.37	9.98	-44.43
CCC(CNC1=CC(C(=O)[O-])=CC=N1)OC1=CC=CC=C1F	REAL300011087318	0	38	-1.0	-50.84	317.59	7.59	-43.25
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC=C1F	REAL300011087318	1	39	0.0	-48.04	320.45	8.13	-39.91
CCC(CNC1=C(C(=O)[O-])C=CC=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087319	0	41	-1.0	-44.50	342.09	9.59	-34.91
CCC(CNC1=CC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC=C1F	REAL300011087320	0	41	-1.0	-51.84	333.01	8.09	-43.75
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC=C1F	REAL300011087320	1	42	0.0	-42.84	335.53	8.56	-34.28
CCC(CNC1=CN=C(C(=O)[O-])C=N1)OC1=CC=CC=C1F	REAL300011087321	0	37	-1.0	-55.15	312.49	5.76	-49.39
CCC(CNC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087322	0	40	-1.0	-45.36	342.45	8.80	-36.56
CCC(CNC1=NC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC=C1F	REAL300011087323	0	40	-1.0	-46.97	330.99	8.78	-38.19
CCC(CNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087324	0	41	-1.0	-45.79	355.28	9.31	-36.48
CCC(CNC1=CC=C(C(=O)[O-])N=N1)OC1=CC=CC=C1F	REAL300011087325	0	37	-1.0	-56.96	312.88	6.57	-50.39
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC=C1F	REAL300011087326	0	44	-1.0	-51.55	369.79	10.21	-41.34
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087327	0	39	0.0	-49.62	315.77	7.49	-42.13
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC=C1F	REAL300011087328	0	39	0.0	-40.11	320.75	7.17	-32.94
CCC(CNC1=CC=NC(C(=O)[O-])=C1)OC1=CC=CC=C1F	REAL300011087328	1	38	-1.0	-59.01	318.04	6.80	-52.21
CCC(CNC1=NC(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087329	0	41	-1.0	-54.00	336.41	8.82	-45.18
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC=C1F	REAL300011087329	1	42	0.0	-44.71	336.65	9.11	-35.60
CCC(CNC1=C(C(=O)[O-])N=NC2=CC=CC=C21)OC1=CC=CC(F)=C1	REAL300011087330	0	43	-1.0	-70.03	357.25	8.27	-61.76
CCC(CNC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)OC1=CC=CC(F)=C1	REAL300011087331	0	41	-1.0	-64.85	349.41	9.58	-55.27
CCC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C)=N1)OC1=CC=CC(F)=C1	REAL300011087332	0	46	-1.0	-49.88	381.63	9.83	-40.05
CCC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC=N1)OC1=CC=CC(F)=C1	REAL300011087333	0	43	-1.0	-49.15	360.61	9.92	-39.23
CCC(CNC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087334	0	44	-1.0	-59.12	371.35	3.76	-55.36
CCC(CNC1=C(C(=O)[O-])C=NC2=C(OC)C=CC=C21)OC1=CC=CC(F)=C1	REAL300011087335	0	48	-1.0	-51.34	388.20	8.72	-42.62
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)OC1=CC=CC(F)=C1	REAL300011087336	0	51	0.0	-46.32	401.60	11.09	-35.23
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)OC1=CC=CC(F)=C1	REAL300011087337	0	48	0.0	-40.87	383.59	10.39	-30.48
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)OC1=CC=CC(F)=C1	REAL300011087338	0	51	0.0	-40.80	397.20	10.98	-29.82
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21)OC1=CC=CC(F)=C1	REAL300011087339	0	49	0.0	-48.97	391.61	8.95	-40.02
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)OC1=CC=CC(F)=C1	REAL300011087340	0	48	0.0	-39.41	380.12	10.49	-28.92
CCC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3)OC1=CC=CC(F)=C1	REAL300011087341	0	48	0.0	-36.66	388.13	8.43	-28.23
CCC(CNC1=CC=C(C(=O)[O-])N=N1)OC1=CC=CC(F)=C1	REAL300011087342	0	37	-1.0	-55.32	313.52	6.60	-48.72
CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC(F)=C1	REAL300011087343	0	37	-1.0	-45.43	314.90	8.26	-37.17
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087344	0	39	0.0	-48.36	315.91	7.49	-40.87
CCC(CNC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087345	0	40	-1.0	-54.51	346.20	9.35	-45.16
CCC(CNC1=NC=NC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087346	0	37	-1.0	-46.32	309.77	8.00	-38.32
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087347	0	44	-1.0	-49.94	370.09	10.23	-39.71
CCC(CNC1=NC2=CC=CC=C2C(C)=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087348	0	47	-1.0	-55.48	381.32	10.80	-44.68
CCC(CNC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087349	0	44	-1.0	-53.23	363.92	10.09	-43.14
CCC(CNC1=NC(C(=O)[O-])=CC=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087350	0	40	-1.0	-43.52	343.16	8.82	-34.70
CCC(CNC1=NC(C)=CC(C(=O)[O-])=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087351	0	43	-1.0	-54.57	367.80	9.96	-44.61
CCC(CNC1=NC=C(C(=O)[O-])C=N1)OC1=CC=CC(F)=C1	REAL300011087352	0	37	-1.0	-45.43	314.90	8.26	-37.17
CCC(CNC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087353	0	40	-1.0	-43.67	342.35	8.77	-34.90
CCC(CNC1=NC=C(C(=O)[O-])S1)OC1=CC=CC(F)=C1	REAL300011087354	0	35	-1.0	-50.90	310.53	7.04	-43.86
CCC(CNC1=CC(C(=O)[O-])=NC=N1)OC1=CC=CC(F)=C1	REAL300011087355	0	37	-1.0	-49.67	313.68	7.49	-42.18
CCC(CNC1=NC=CC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087356	0	38	-1.0	-49.99	314.87	8.20	-41.79
CCC(CNC1=CC=C(C(=O)[O-])C=N1)OC1=CC=CC(F)=C1	REAL300011087357	0	38	-1.0	-51.40	317.46	7.65	-43.75
CCC(CNC1=NC=NC2=CC(C(=O)[O-])=CC=C21)OC1=CC=CC(F)=C1	REAL300011087358	0	43	-1.0	-53.37	357.62	9.99	-43.38
CCC(CNC1=CC(C(=O)[O-])=CC=N1)OC1=CC=CC(F)=C1	REAL300011087359	0	38	-1.0	-48.26	317.93	7.67	-40.59
CCC(CNC1=CC(C(=O)[O-])=CC=[NH+]1)OC1=CC=CC(F)=C1	REAL300011087359	1	39	0.0	-46.29	320.94	8.06	-38.23
CCC(CNC1=C(C(=O)[O-])C=CC=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087360	0	41	-1.0	-48.19	343.26	9.60	-38.59
CCC(CNC1=CC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC(F)=C1	REAL300011087361	0	41	-1.0	-51.79	337.27	8.24	-43.55
CCC(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)OC1=CC=CC(F)=C1	REAL300011087361	1	42	0.0	-42.70	336.51	8.59	-34.11
CCC(CNC1=CN=C(C(=O)[O-])C=N1)OC1=CC=CC(F)=C1	REAL300011087362	0	37	-1.0	-53.53	313.13	5.79	-47.74
CCC(CNC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087363	0	40	-1.0	-43.67	342.35	8.77	-34.90
CCC(CNC1=NC=C(C(=O)[O-])C(C)=N1)OC1=CC=CC(F)=C1	REAL300011087364	0	40	-1.0	-44.83	330.87	8.82	-36.01
CCC(CNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087365	0	41	-1.0	-42.91	354.55	9.28	-33.63
CCC(CNC1=CC=C(C(=O)[O-])N=N1)OC1=CC=CC(F)=C1	REAL300011087366	0	37	-1.0	-55.32	313.52	6.60	-48.72
CCC(CNC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])OC1=CC=CC(F)=C1	REAL300011087367	0	44	-1.0	-49.94	370.09	10.23	-39.71
CCC(CNC1=CC=[NH+]C=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087368	0	39	0.0	-48.36	315.91	7.49	-40.87
CCC(CNC1=CC=[NH+]C(C(=O)[O-])=C1)OC1=CC=CC(F)=C1	REAL300011087369	0	39	0.0	-38.42	320.94	7.17	-31.25
CCC(CNC1=CC=NC(C(=O)[O-])=C1)OC1=CC=CC(F)=C1	REAL300011087369	1	38	-1.0	-55.64	318.53	6.75	-48.89
CCC(CNC1=NC(C)=CC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087370	0	41	-1.0	-50.92	335.67	8.78	-42.14
CCC(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])OC1=CC=CC(F)=C1	REAL300011087370	1	42	0.0	-43.47	337.27	9.08	-34.39
COC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C)=N1)C(C)C	REAL300011087371	0	42	-1.0	-46.32	343.13	7.11	-39.21
COC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC(CN(C)C)=N1)C(C)C	REAL300011087372	0	50	-1.0	-46.55	398.69	5.90	-40.65
COC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1)C(C)C	REAL300011087372	1	51	0.0	-64.73	401.11	8.38	-56.35
COC(CNC1=C2C(C)=C(C(=O)[O-])SC2=NC=N1)C(C)C	REAL300011087373	0	39	-1.0	-45.51	321.31	7.15	-38.36
COC(CNC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-])C(C)C	REAL300011087374	0	40	-1.0	-54.92	329.73	0.86	-54.06
COC1=CC=CC2=C(NCC(OC)C(C)C)C(C(=O)[O-])=CN=C12	REAL300011087375	0	44	-1.0	-56.99	347.42	6.52	-50.47
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C12)C(C)C	REAL300011087376	0	47	0.0	-39.89	363.23	8.77	-31.12
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21)C(C)C	REAL300011087377	0	44	0.0	-43.05	342.14	7.44	-35.61
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C12)C(C)C	REAL300011087378	0	47	0.0	-40.55	355.74	8.11	-32.44
COC1=CC2=C(NCC(OC)C(C)C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087379	0	45	0.0	-44.22	351.07	6.14	-38.08
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C12)C(C)C	REAL300011087380	0	44	0.0	-35.90	339.15	7.64	-28.26
COC(CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3)C(C)C	REAL300011087381	0	44	0.0	-39.99	347.38	6.22	-33.77
COC1=CC2=C(NCC(OC)C(C)C)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087382	0	48	-1.0	-55.17	376.78	5.82	-49.35
COC1=CC(Cl)=C(OC)C2=C(NCC(OC)C(C)C)C(C(=O)[O-])=CN=C12	REAL300011087383	0	48	-1.0	-49.19	384.16	6.59	-42.60
COC(CNC1=NC2=CC=CC=C2C(C)=C1C(=O)[O-])C(C)C	REAL300011087384	0	43	-1.0	-52.77	342.58	8.11	-44.66
COC(CNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-])C(C)C	REAL300011087385	0	37	-1.0	-40.09	315.63	6.69	-33.40
COCCCOCCN(C)C1=C(C(=O)[O-])N=NC2=CC=CC=C21	REAL300011087386	0	43	-1.0	-69.40	346.80	5.20	-64.20
COCCCOCCN(C)C1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1	REAL300011087387	0	41	-1.0	-66.17	345.36	7.50	-58.67
COCCCOCCN(C)C1=C2C(C)=C(C(=O)[O-])SC2=NC(C)=N1	REAL300011087388	0	46	-1.0	-46.68	382.96	7.55	-39.13
COCCCOCCN(C)C1=C2C(C)=C(C(=O)[O-])SC2=NC(CN(C)C)=N1	REAL300011087389	0	54	-1.0	-46.56	438.53	6.35	-40.21
COCCCOCCN(C)C1=C2C(C)=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=N1	REAL300011087389	1	55	0.0	-65.73	440.96	8.83	-56.90
COCCCOCCN(C)C1=C2C(C)=C(C(=O)[O-])SC2=NC=N1	REAL300011087390	0	43	-1.0	-46.00	360.86	7.60	-38.40
COCCCOCCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-]	REAL300011087391	0	44	-1.0	-61.69	372.12	1.54	-60.15
COCCCOCCN(C)C1=C(C(=O)[O-])C=NC2=C(OC)C=CC=C21	REAL300011087392	0	48	-1.0	-60.99	380.65	5.77	-55.22
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C=C(C)C=C21	REAL300011087393	0	51	0.0	-44.25	392.87	8.10	-36.15
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC=C(C)C=C21	REAL300011087394	0	48	0.0	-46.04	375.31	7.38	-38.66
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C(C)=CC=C21	REAL300011087395	0	51	0.0	-44.63	388.44	8.00	-36.63
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC=C(OC)C=C21	REAL300011087396	0	49	0.0	-47.10	383.44	6.02	-41.08
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=C(C)C=CC=C21	REAL300011087397	0	48	0.0	-45.17	371.81	7.46	-37.71
COCCCOCCN(C)C1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087398	0	48	0.0	-44.73	379.99	5.36	-39.37
COCCCOCCN(C)C1=C(C(=O)[O-])C=NC2=C(OC)C=C(OC)C=C21	REAL300011087399	0	52	-1.0	-58.89	408.61	5.42	-53.47
COCCCOCCN(C)C1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011087400	0	40	-1.0	-50.61	343.79	5.86	-44.75
COCCCOCCN(C)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087401	0	44	-1.0	-50.07	368.32	8.10	-41.97
COCCCOCCN(C)C1=NC2=CC=CC=C2C(C)=C1C(=O)[O-]	REAL300011087402	0	47	-1.0	-64.53	381.76	7.17	-57.36
COCCCOCCN(C)C1=CC(C)=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300011087403	0	44	-1.0	-56.22	364.29	7.92	-48.30
COCCCOCCN(C)C1=NC(C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300011087404	0	40	-1.0	-44.38	343.08	6.28	-38.10
COCCCOCCN(C)C1=NC(C)=CC(C(=O)[O-])=C1[N+](=O)[O-]	REAL300011087405	0	43	-1.0	-52.13	360.02	6.61	-45.52
COCCCOCCN(C)C1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087406	0	40	-1.0	-43.85	344.31	5.90	-37.95
COCCCOCCN(C)C1=NC=NC2=CC(C(=O)[O-])=CC=C21	REAL300011087407	0	43	-1.0	-48.36	356.38	6.77	-41.59
COCCCOCCN(C)C1=C(C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300011087408	0	41	-1.0	-43.94	336.16	6.69	-37.25
COCCCOCCN(C)C1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087409	0	40	-1.0	-43.85	344.31	5.90	-37.95
COCCCOCCN(C)C1=NC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300011087410	0	41	-1.0	-43.79	354.64	6.68	-37.11
COCCCOCCN(C)C1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087411	0	44	-1.0	-50.07	368.32	8.10	-41.97
O=C([O-])C1=C(N2CCC(OCC3CCOC3)CC2)C2=CC=CC=C2N=N1	REAL300011087412	0	48	-1.0	-64.31	370.08	6.63	-57.68
O=C([O-])C1=CC(N2CCC(OCC3CCOC3)CC2)=CC=C1[N+](=O)[O-]	REAL300011087413	0	46	-1.0	-62.41	367.23	7.52	-54.89
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCC(OCC4CCOC4)CC3)=C12	REAL300011087414	0	51	-1.0	-47.98	408.61	8.68	-39.30
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(OCC4CCOC4)CC3)=C12	REAL300011087415	0	48	-1.0	-47.97	386.38	8.63	-39.34
NS(=O)(=O)C1=CC=C(N2CCC(OCC3CCOC3)CC2)C(C(=O)[O-])=C1	REAL300011087416	0	49	-1.0	-61.76	396.57	2.70	-59.06
COC1=CC=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=CN=C12	REAL300011087417	0	53	-1.0	-59.19	403.24	7.08	-52.11
CC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087418	0	56	0.0	-42.47	416.47	9.54	-32.93
CC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087419	0	53	0.0	-44.76	398.54	8.77	-35.99
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(OCC4CCOC4)CC3)=C2C=C1	REAL300011087420	0	56	0.0	-42.52	412.58	9.44	-33.08
COC1=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087421	0	54	0.0	-45.61	406.66	7.41	-38.20
CC1=CC=CC2=C(N3CCC(OCC4CCOC4)CC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087422	0	53	0.0	-43.52	395.11	8.88	-34.64
O=C([O-])C1=CC=C(N2CCC(OCC3CCOC3)CC2)N=N1	REAL300011087423	0	42	-1.0	-50.89	334.29	4.66	-46.23
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)N=C1	REAL300011087424	0	42	-1.0	-42.89	334.88	6.13	-36.76
O=C([O-])C1=C[NH+]=CC=C1N1CCC(OCC2CCOC2)CC1	REAL300011087425	0	44	0.0	-55.78	341.20	6.37	-49.41
O=C([O-])C1=CC=NC(N2CCC(OCC3CCOC3)CC2)=C1[N+](=O)[O-]	REAL300011087426	0	45	-1.0	-53.28	369.08	7.19	-46.09
O=C([O-])C1=CN=CN=C1N1CCC(OCC2CCOC2)CC1	REAL300011087427	0	42	-1.0	-46.93	335.12	6.44	-40.49
O=C([O-])CC1=CC=C(N2CCC(OCC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087428	0	49	-1.0	-48.51	392.89	9.23	-39.28
CC1=C(C(=O)[O-])C(N2CCC(OCC3CCOC3)CC2)=NC2=CC=CC=C21	REAL300011087429	0	52	-1.0	-58.71	405.54	8.71	-50.00
CC1=CC(N2CCC(OCC3CCOC3)CC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087430	0	49	-1.0	-54.43	386.48	8.96	-45.47
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2CCC(OCC3CCOC3)CC2)=N1	REAL300011087431	0	45	-1.0	-42.35	369.05	7.43	-34.92
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(OCC3CCOC3)CC2)=N1	REAL300011087432	0	48	-1.0	-52.30	391.44	7.66	-44.64
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)N=C1	REAL300011087433	0	42	-1.0	-42.89	334.88	6.13	-36.76
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087434	0	45	-1.0	-40.41	368.11	7.40	-33.01
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)S1	REAL300011087435	0	40	-1.0	-47.37	330.56	4.99	-42.38
O=C([O-])C1=CC(N2CCC(OCC3CCOC3)CC2)=NC=N1	REAL300011087436	0	42	-1.0	-48.28	334.46	5.70	-42.58
O=C([O-])C1=CC=C[NH+]=C1N1CCC(OCC2CCOC2)CC1	REAL300011087437	0	44	0.0	-55.49	341.08	7.17	-48.32
O=C([O-])C1=CC=CN=C1N1CCC(OCC2CCOC2)CC1	REAL300011087437	1	43	-1.0	-52.80	339.98	6.73	-46.07
O=C([O-])C1=CC=C(N2CCC(OCC3CCOC3)CC2)N=C1	REAL300011087438	0	43	-1.0	-47.31	338.25	5.88	-41.43
O=C([O-])C1=CC=C(N2CCC(OCC3CCOC3)CC2)[NH+]=C1	REAL300011087438	1	44	0.0	-40.88	339.03	6.17	-34.71
O=C([O-])C1=CC2=NC=NC(N3CCC(OCC4CCOC4)CC3)=C2C=C1	REAL300011087439	0	48	-1.0	-49.17	381.87	8.09	-41.08
O=C([O-])C1=CC=[NH+]C(N2CCC(OCC3CCOC3)CC2)=C1	REAL300011087440	0	44	0.0	-47.88	339.50	6.19	-41.69
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(OCC2CCOC2)CC1	REAL300011087441	0	46	-1.0	-42.12	358.57	7.82	-34.30
CC1=[NH+]C(N2CCC(OCC3CCOC3)CC2)=CC=C1C(=O)[O-]	REAL300011087442	0	47	0.0	-40.22	358.44	6.56	-33.66
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)C=N1	REAL300011087443	0	42	-1.0	-48.89	333.96	4.01	-44.88
O=C([O-])C1=CN=C(N2CCC(OCC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087444	0	45	-1.0	-40.41	368.11	7.40	-33.01
CC1=NC(N2CCC(OCC3CCOC3)CC2)=NC=C1C(=O)[O-]	REAL300011087445	0	45	-1.0	-42.45	351.42	6.59	-35.86
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1CCC(OCC2CCOC2)CC1	REAL300011087446	0	46	-1.0	-45.78	378.61	7.78	-38.00
O=C([O-])C1=CC=C(N2CCC(OCC3CCOC3)CC2)N=N1	REAL300011087447	0	42	-1.0	-50.89	334.29	4.66	-46.23
O=C([O-])CC1=CC=C(N2CCC(OCC3CCOC3)CC2)C([N+](=O)[O-])=C1	REAL300011087448	0	49	-1.0	-48.51	392.89	9.23	-39.28
O=C([O-])C1=C[NH+]=CC=C1N1CCC(OCC2CCOC2)CC1	REAL300011087449	0	44	0.0	-55.78	341.20	6.37	-49.41
O=C([O-])C1=CC(N2CCC(OCC3CCOC3)CC2)=CC=[NH+]1	REAL300011087450	0	44	0.0	-38.57	339.14	5.09	-33.48
O=C([O-])C1=CC(N2CCC(OCC3CCOC3)CC2)=CC=N1	REAL300011087450	1	43	-1.0	-54.38	336.65	4.72	-49.66
CC1=CC=C(C(=O)[O-])C(N2CCC(OCC3CCOC3)CC2)=[NH+]1	REAL300011087451	0	47	0.0	-49.06	362.38	7.74	-41.32
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3=NC=NN3C)=C12	REAL300011087452	0	35	-1.0	-49.86	308.81	7.20	-42.66
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCC3=NC=NN3C)=C12	REAL300011087453	0	43	-1.0	-49.74	364.21	6.02	-43.72
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3=NC=NN3C)=C12	REAL300011087453	1	44	0.0	-73.15	366.80	8.48	-64.67
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=NC=NN3C)=C12	REAL300011087454	0	32	-1.0	-49.44	286.97	7.25	-42.19
CN1N=CN=C1CNC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-]	REAL300011087455	0	33	-1.0	-56.69	298.43	1.10	-55.59
COC1=CC=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=CN=C12	REAL300011087456	0	37	-1.0	-61.90	313.01	5.95	-55.95
CC1=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087457	0	40	0.0	-47.64	326.38	8.44	-39.20
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=NC=NN3C)=C2C=C1	REAL300011087458	0	40	0.0	-39.75	321.39	8.05	-31.70
COC1=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087459	0	38	0.0	-43.22	315.20	6.03	-37.19
CN1N=CN=C1CNC1=C(C(=O)[O-])C=[NH+]C2=CC3=C(C=C21)OCO3	REAL300011087460	0	37	0.0	-41.33	312.66	5.41	-35.92
COC1=CC2=C(NCC3=NC=NN3C)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087461	0	41	-1.0	-59.16	342.39	5.25	-53.91
COC1=CC(Cl)=C(OC)C2=C(NCC3=NC=NN3C)C(C(=O)[O-])=CN=C12	REAL300011087462	0	41	-1.0	-37.64	337.36	6.42	-31.22
CN1N=CN=C1CNC1=NC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300011087463	0	30	-1.0	-42.87	280.96	6.59	-36.28
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300011087464	0	48	-1.0	-52.56	381.31	5.84	-46.72
CCOC1=CC=C(C(O)C2CCN(C3=NC(C(=O)[O-])=CO3)CC2)C=C1	REAL300011087465	0	46	-1.0	-53.72	370.76	3.05	-50.67
CCOC1=CC=C(C(O)C2CCN(C3=NC=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300011087466	0	48	-1.0	-44.89	381.91	7.31	-37.58
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)C=C1	REAL300011087467	0	50	0.0	-54.48	388.23	7.55	-46.93
CCOC1=CC=C(C(O)C2CCN(C3=NC=NC=C3C(=O)[O-])CC2)C=C1	REAL300011087468	0	48	-1.0	-48.38	381.15	7.69	-40.69
CCOC1=CC=C(C(O)C2CCN(C3=NC=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300011087469	0	48	-1.0	-44.89	381.91	7.31	-37.58
CCOC1=CC=C(C(O)C2CCN(C3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300011087470	0	46	-1.0	-49.57	377.60	6.16	-43.41
CCOC1=CC=C(C(O)C2CCN(C3=CC(C(=O)[O-])=NC=N3)CC2)C=C1	REAL300011087471	0	48	-1.0	-50.03	381.50	6.87	-43.16
CCOC1=CC=C(C(O)C2CCN(C3=[NH+]C=CC=C3C(=O)[O-])CC2)C=C1	REAL300011087472	0	50	0.0	-54.33	388.04	8.37	-45.96
CCOC1=CC=C(C(O)C2CCN(C3=NC=CC=C3C(=O)[O-])CC2)C=C1	REAL300011087472	1	49	-1.0	-54.10	387.02	7.90	-46.20
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300011087473	0	49	-1.0	-49.02	385.28	7.07	-41.95
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])C=[NH+]3)CC2)C=C1	REAL300011087473	1	50	0.0	-41.90	386.06	7.36	-34.54
CCOC1=CC=C(C(O)C2CCN(C3=CC(C(=O)[O-])=CC=[NH+]3)CC2)C=C1	REAL300011087474	0	50	0.0	-49.71	386.53	7.38	-42.33
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])C(C)=[NH+]3)CC2)C=C1	REAL300011087475	0	53	0.0	-39.44	401.75	7.64	-31.80
CCOC1=CC=C(C(O)C2CCN(C3=CN=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300011087476	0	48	-1.0	-50.78	380.99	5.19	-45.59
CCOC1=CC=C(C(O)C2CCN(C3=NC=C(C(=O)[O-])C(C)=N3)CC2)C=C1	REAL300011087477	0	51	-1.0	-44.57	398.38	7.81	-36.76
CCOC1=CC=C(C(O)C2CCN(C3=CC=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300011087478	0	48	-1.0	-52.56	381.31	5.84	-46.72
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C=C3C(=O)[O-])CC2)C=C1	REAL300011087479	0	50	0.0	-54.48	388.23	7.55	-46.93
CCOC1=CC=C(C(O)C2CCN(C3=CC=[NH+]C(C(=O)[O-])=C3)CC2)C=C1	REAL300011087480	0	50	0.0	-38.29	380.36	6.47	-31.82
CCOC1=CC=C(C(O)C2CCN(C3=CC=NC(C(=O)[O-])=C3)CC2)C=C1	REAL300011087480	1	49	-1.0	-55.77	377.57	6.02	-49.75
CCOC1=CC=C(C(O)C2CCN(C3=[NH+]C(C)=CC=C3C(=O)[O-])CC2)C=C1	REAL300011087481	0	53	0.0	-49.13	409.45	8.91	-40.22
CSC1CN(C2=C(C(=O)[O-])N=NC3=CC=CC=C32)CC1[NH+]1CCCC1	REAL300011087482	0	47	0.0	-66.45	364.98	8.80	-57.65
CSC1CN(C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC1[NH+]1CCCC1	REAL300011087483	0	45	0.0	-72.38	358.22	9.68	-62.70
CSC1CN(C2=C3C(C)=C(C(=O)[O-])SC3=NC(C)=N2)CC1[NH+]1CCCC1	REAL300011087484	0	50	0.0	-65.93	402.73	11.15	-54.78
CSC1CN(C2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)CC1[NH+]1CCCC1	REAL300011087485	0	47	0.0	-64.08	371.89	10.59	-53.49
CSC1CN(C2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087486	0	48	0.0	-65.13	383.35	4.62	-60.51
COC1=CC=CC2=C(N3CC(SC)C([NH+]4CCCC4)C3)C(C(=O)[O-])=CN=C12	REAL300011087487	0	52	0.0	-63.54	395.07	9.14	-54.40
CSC1CN(C2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087488	0	55	1.0	-63.28	408.29	11.60	-51.68
CSC1CN(C2=C(C(=O)[O-])C=NC3=C(C)C=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087488	1	54	0.0	-66.22	406.84	11.29	-54.93
CSC1CN(C2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087489	0	52	1.0	-65.11	390.37	10.84	-54.27
CSC1CN(C2=C(C(=O)[O-])C=NC3=CC=C(C)C=C32)CC1[NH+]1CCCC1	REAL300011087489	1	51	0.0	-60.49	387.16	10.42	-50.07
CSC1CN(C2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C32)CC1[NH+]1CCCC1	REAL300011087490	0	55	1.0	-63.86	399.45	11.39	-52.47
COC1=CC2=C(N3CC(SC)C([NH+]4CCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087491	0	53	1.0	-63.44	398.48	9.48	-53.96
COC1=CC2=C(N3CC(SC)C([NH+]4CCCC4)C3)C(C(=O)[O-])=CN=C2C=C1	REAL300011087491	1	52	0.0	-56.47	395.28	9.06	-47.41
CSC1CN(C2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C32)CC1[NH+]1CCCC1	REAL300011087492	0	52	1.0	-64.60	386.93	10.95	-53.65
CSC1CN(C2=C(C(=O)[O-])C=NC3=C(C)C=CC=C32)CC1[NH+]1CCCC1	REAL300011087492	1	51	0.0	-61.10	381.44	10.50	-50.60
CSC1CN(C2=CC=C(C(=O)[O-])N=N2)CC1[NH+]1CCCC1	REAL300011087493	0	41	0.0	-73.20	329.90	6.52	-66.68
CSC1CN(C2=NC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087494	0	41	0.0	-58.93	323.44	8.72	-50.21
CSC1CN(C2=CC=[NH+]C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087495	0	43	1.0	-75.61	327.88	8.32	-67.29
CSC1CN(C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087496	0	44	0.0	-69.18	355.21	9.49	-59.69
CSC1CN(C2=NC=NC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087497	0	41	0.0	-52.53	328.32	8.89	-43.64
CSC1CN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087498	0	48	0.0	-67.80	379.72	11.13	-56.67
CSC1CN(C2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087499	0	51	0.0	-61.05	398.81	11.11	-49.94
CSC1CN(C2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087500	0	48	0.0	-62.86	382.87	11.25	-51.61
CSC1CN(C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087501	0	44	0.0	-50.22	361.88	9.83	-40.39
CSC1CN(C2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087502	0	47	0.0	-66.31	385.50	10.09	-56.22
CSC1CN(C2=NC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087503	0	41	0.0	-58.93	323.44	8.72	-50.21
CSC1CN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087504	0	44	0.0	-57.56	355.09	9.56	-48.00
CSC1CN(C2=NC=C(C(=O)[O-])S2)CC1[NH+]1CCCC1	REAL300011087505	0	39	0.0	-64.49	320.33	7.44	-57.05
CSC1CN(C2=CC(C(=O)[O-])=NC=N2)CC1[NH+]1CCCC1	REAL300011087506	0	41	0.0	-65.62	330.16	8.12	-57.50
CSC1CN(C2=NC=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087507	0	42	0.0	-55.19	332.69	9.14	-46.05
CSC1CN(C2=CC=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087508	0	42	0.0	-63.91	328.97	8.38	-55.53
CSC1CN(C2=NC=NC3=CC(C(=O)[O-])=CC=C32)CC1[NH+]1CCCC1	REAL300011087509	0	47	0.0	-73.16	363.59	10.68	-62.48
CSC1CN(C2=CC(C(=O)[O-])=CC=N2)CC1[NH+]1CCCC1	REAL300011087510	0	42	0.0	-61.56	328.60	8.79	-52.77
CSC1CN(C2=CC(C(=O)[O-])=CC=[NH+]2)CC1[NH+]1CCCC1	REAL300011087510	1	43	1.0	-93.37	329.51	8.21	-85.16
CSC1CN(C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087511	0	45	0.0	-46.20	340.38	9.93	-36.27
CSC1CN(C2=CC=C(C(=O)[O-])C(C)=N2)CC1[NH+]1CCCC1	REAL300011087512	0	45	0.0	-64.27	353.38	8.89	-55.38
CSC1CN(C2=CC=C(C(=O)[O-])C(C)=[NH+]2)CC1[NH+]1CCCC1	REAL300011087512	1	46	1.0	-78.92	345.90	8.61	-70.31
CSC1CN(C2=CN=C(C(=O)[O-])C=N2)CC1[NH+]1CCCC1	REAL300011087513	0	41	0.0	-68.29	329.51	5.65	-62.64
CSC1CN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087514	0	44	0.0	-57.56	355.09	9.56	-48.00
CSC1CN(C2=NC=C(C(=O)[O-])C(C)=N2)CC1[NH+]1CCCC1	REAL300011087515	0	44	0.0	-57.37	346.26	8.62	-48.75
CSC1CN(C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087516	0	45	0.0	-50.15	373.64	10.19	-39.96
CSC1CN(C2=CC=C(C(=O)[O-])N=N2)CC1[NH+]1CCCC1	REAL300011087517	0	41	0.0	-73.20	329.90	6.52	-66.68
CSC1CN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC1[NH+]1CCCC1	REAL300011087518	0	48	0.0	-67.80	379.72	11.13	-56.67
CSC1CN(C2=CC=[NH+]C=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087519	0	43	1.0	-75.61	327.88	8.32	-67.29
CSC1CN(C2=CC=NC(C(=O)[O-])=C2)CC1[NH+]1CCCC1	REAL300011087520	0	42	0.0	-62.89	327.61	6.82	-56.07
CSC1CN(C2=CC=[NH+]C(C(=O)[O-])=C2)CC1[NH+]1CCCC1	REAL300011087520	1	43	1.0	-64.72	330.02	7.23	-57.49
CSC1CN(C2=NC(C)=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087521	0	45	0.0	-58.20	354.77	9.70	-48.50
CSC1CN(C2=[NH+]C(C)=CC=C2C(=O)[O-])CC1[NH+]1CCCC1	REAL300011087521	1	46	1.0	-75.36	349.36	9.83	-65.53
CCOC1CC(NC2=C(C(=O)[O-])N=NC3=CC=CC=C32)C12CCCO2	REAL300011087522	0	45	-1.0	-59.99	344.01	6.11	-53.88
CCOC1CC(NC2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C12CCCO2	REAL300011087523	0	43	-1.0	-62.65	354.69	7.47	-55.18
CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC(C)=N2)C12CCCO2	REAL300011087524	0	48	-1.0	-46.84	386.92	7.96	-38.88
CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)C12CCCO2	REAL300011087525	0	45	-1.0	-46.65	367.27	7.84	-38.81
CCOC1CC(NC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])C12CCCO2	REAL300011087526	0	46	-1.0	-55.94	377.37	1.58	-54.36
CCOC1CC(NC2=C(C(=O)[O-])C=NC3=C(OC)C=CC=C32)C12CCCO2	REAL300011087527	0	50	-1.0	-60.19	385.15	7.02	-53.17
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C12CCCO2	REAL300011087528	0	53	0.0	-38.02	398.39	9.49	-28.53
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C12CCCO2	REAL300011087529	0	50	0.0	-42.52	384.82	8.29	-34.23
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C12CCCO2	REAL300011087530	0	53	0.0	-37.95	394.46	9.38	-28.57
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C12CCCO2	REAL300011087531	0	51	0.0	-40.60	389.49	6.67	-33.93
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C12CCCO2	REAL300011087532	0	50	0.0	-37.67	377.97	8.14	-29.53
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)C12CCCO2	REAL300011087533	0	50	0.0	-38.93	385.17	6.73	-32.20
CCOC1CC(NC2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])C12CCCO2	REAL300011087534	0	42	-1.0	-49.13	352.43	7.90	-41.23
CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C12CCCO2	REAL300011087535	0	46	-1.0	-47.09	375.98	8.03	-39.06
CCOC1CC(NC2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])C12CCCO2	REAL300011087536	0	49	-1.0	-50.77	388.12	9.31	-41.46
CCOC1CC(NC2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])C12CCCO2	REAL300011087537	0	46	-1.0	-51.68	369.95	7.92	-43.76
CCOC1CC(NC2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])C12CCCO2	REAL300011087538	0	42	-1.0	-42.56	351.16	7.23	-35.33
CCOC1CC(NC2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])C12CCCO2	REAL300011087539	0	45	-1.0	-52.53	373.77	7.85	-44.68
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C12CCCO2	REAL300011087540	0	42	-1.0	-40.85	348.77	7.31	-33.54
CCOC1CC(NC2=NC=NC3=CC(C(=O)[O-])=CC=C32)C12CCCO2	REAL300011087541	0	45	-1.0	-51.50	363.89	8.53	-42.97
CCOC1CC(NC2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])C12CCCO2	REAL300011087542	0	43	-1.0	-43.92	340.95	7.32	-36.60
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=N2)C12CCCO2	REAL300011087543	0	43	-1.0	-48.88	343.40	6.09	-42.79
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=[NH+]2)C12CCCO2	REAL300011087543	1	44	0.0	-41.37	342.33	7.01	-34.36
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C12CCCO2	REAL300011087544	0	42	-1.0	-40.85	348.77	7.31	-33.54
CCOC1CC(NC2=NC=C(C(=O)[O-])C(C)=N2)C12CCCO2	REAL300011087545	0	42	-1.0	-44.10	337.39	7.36	-36.74
CCOC1CC(NC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])C12CCCO2	REAL300011087546	0	43	-1.0	-45.80	361.75	7.61	-38.19
CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C12CCCO2	REAL300011087547	0	46	-1.0	-47.09	375.98	8.03	-39.06
CCOC1CC(NC2=NC(C)=CC=C2C(=O)[O-])C12CCCO2	REAL300011087548	0	43	-1.0	-52.11	342.39	6.71	-45.40
CCOC1CC(NC2=[NH+]C(C)=CC=C2C(=O)[O-])C12CCCO2	REAL300011087548	1	44	0.0	-35.61	342.92	7.63	-27.98
O=C([O-])C1=C(NCC2=NN=C(C(F)(F)F)[N-]2)C2=CC=CC=C2[NH+]=N1	REAL300011087549	0	32	-1.0	-81.31	301.67	4.62	-76.69
O=C([O-])C1=CC(NCC2=NC(C(F)(F)F)=NN2)=CC=C1[N+](=O)[O-]	REAL300011087550	0	30	-1.0	-68.65	296.11	5.92	-62.73
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3=NC(C(F)(F)F)=NN3)=C12	REAL300011087551	0	35	-1.0	-49.37	329.59	6.16	-43.21
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=NC(C(F)(F)F)=NN3)=C12	REAL300011087552	0	32	-1.0	-49.08	307.76	6.22	-42.86
NS(=O)(=O)C1=CC=C(NCC2=NC(C(F)(F)F)=NN2)C(C(=O)[O-])=C1	REAL300011087553	0	33	-1.0	-56.79	318.39	0.04	-56.75
COC1=CC=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=CN=C12	REAL300011087554	0	37	-1.0	-59.09	335.47	5.02	-54.07
CC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087555	0	40	0.0	-34.16	349.45	7.50	-26.66
CC1=CC2=C(NCC3=NC(C(F)(F)F)=N[N-]3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087555	1	39	-1.0	-78.51	344.92	7.28	-71.23
CC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087556	0	37	0.0	-36.83	331.20	6.74	-30.09
CC1=CC2=C(NCC3=NC(C(F)(F)F)=N[N-]3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087556	1	36	-1.0	-83.33	327.64	6.60	-76.73
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=NC(C(F)(F)F)=NN3)=C2C=C1	REAL300011087557	0	40	0.0	-46.60	344.25	7.38	-39.22
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=NC(C(F)(F)F)=N[N-]3)=C2C=C1	REAL300011087557	1	39	-1.0	-78.03	340.76	7.23	-70.80
COC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087558	0	38	0.0	-38.94	339.26	5.38	-33.56
COC1=CC2=C(NCC3=NC(C(F)(F)F)=N[N-]3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087558	1	37	-1.0	-87.09	335.76	5.24	-81.85
CC1=CC=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087559	0	37	0.0	-47.38	327.36	6.83	-40.55
CC1=CC=CC2=C(NCC3=NC(C(F)(F)F)=N[N-]3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087559	1	36	-1.0	-77.09	323.56	6.61	-70.48
O=C([O-])C1=C(NCC2=NC(C(F)(F)F)=NN2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087560	0	37	0.0	-36.73	336.14	4.73	-32.00
O=C([O-])C1=C(NCC2=NC(C(F)(F)F)=N[N-]2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087560	1	36	-1.0	-81.59	332.05	4.58	-77.01
COC1=CC2=C(NCC3=NC(C(F)(F)F)=NN3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087561	0	41	-1.0	-45.68	365.57	4.33	-41.35
COC1=CC2=C(NCC3=N[N-]C(C(F)(F)F)=N3)C(C(=O)[O-])=C[NH+]=C2C(OC)=C1	REAL300011087561	1	41	-1.0	-79.33	364.16	4.70	-74.63
O=C([O-])C1=CC=NC(NCC2=NC(C(F)(F)F)=NN2)=C1[N+](=O)[O-]	REAL300011087562	0	29	-1.0	-53.50	293.01	5.63	-47.87
O=C([O-])CC1=CC=C(NCC2=NC(C(F)(F)F)=NN2)C([N+](=O)[O-])=C1	REAL300011087563	0	33	-1.0	-50.54	314.67	6.50	-44.04
CC1=C(C(=O)[O-])C(NCC2=NC(C(F)(F)F)=NN2)=NC2=CC=CC=C21	REAL300011087564	0	36	-1.0	-51.15	328.60	7.09	-44.06
CC1=C(C(=O)[O-])C(NCC2=N[N-]C(C(F)(F)F)=N2)=[NH+]C2=CC=CC=C12	REAL300011087564	1	36	-1.0	-70.69	326.14	7.25	-63.44
CC1=CC(NCC2=NC(C(F)(F)F)=NN2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087565	0	33	-1.0	-51.60	308.09	6.27	-45.33
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2=NN=C(C(F)(F)F)[N-]2)=[NH+]1	REAL300011087566	0	29	-1.0	-47.20	286.84	5.40	-41.80
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2=NC(C(F)(F)F)=NN2)=N1	REAL300011087566	1	29	-1.0	-40.19	290.36	5.10	-35.09
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2=NN=C(C(F)(F)F)[N-]2)=[NH+]1	REAL300011087567	0	32	-1.0	-71.98	311.81	6.52	-65.46
O=C([O-])C1=CN=C(NCC2=NC(C(F)(F)F)=NN2)C([N+](=O)[O-])=C1	REAL300011087568	0	29	-1.0	-42.33	291.87	5.12	-37.21
O=C([O-])C1=CC2=NC=NC(NCC3=NC(C(F)(F)F)=NN3)=C2C=C1	REAL300011087569	0	32	-1.0	-53.61	304.44	6.25	-47.36
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCC1=NC(C(F)(F)F)=NN1	REAL300011087570	0	30	-1.0	-35.55	288.56	5.87	-29.68
CC1=NC(NCC2=NC(C(F)(F)F)=NN2)=CC=C1C(=O)[O-]	REAL300011087571	0	30	-1.0	-51.66	284.50	4.55	-47.11
O=C([O-])C1=CN=C(NCC2=NC(C(F)(F)F)=NN2)C([N+](=O)[O-])=C1	REAL300011087572	0	29	-1.0	-42.33	291.87	5.12	-37.21
CC1=NC(NCC2=NC(C(F)(F)F)=NN2)=NC=C1C(=O)[O-]	REAL300011087573	0	29	-1.0	-42.78	277.95	5.12	-37.66
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC1=NC(C(F)(F)F)=NN1	REAL300011087574	0	30	-1.0	-40.11	301.75	5.57	-34.54
O=C([O-])CC1=CC=C(NCC2=NC(C(F)(F)F)=NN2)C([N+](=O)[O-])=C1	REAL300011087575	0	33	-1.0	-50.54	314.67	6.50	-44.04
CC1=CC=C(C(=O)[O-])C(NCC2=NC(C(F)(F)F)=NN2)=N1	REAL300011087576	0	30	-1.0	-47.67	282.88	5.08	-42.59
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])N=N3)N=C12	REAL300011087577	0	36	-1.0	-55.21	335.42	8.14	-47.07
CC1=CC(Br)=CN2C=C(CCNC3=NC(C(=O)[O-])=CO3)N=C12	REAL300011087578	0	34	-1.0	-55.27	324.43	5.40	-49.87
CC1=CC(Br)=CN2C=C(CCNC3=NC=C(C(=O)[O-])C=N3)N=C12	REAL300011087579	0	36	-1.0	-49.30	336.56	9.86	-39.44
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C=C3C(=O)[O-])N=C12	REAL300011087580	0	38	0.0	-42.46	338.00	9.06	-33.40
CC1=CC(Br)=CN2C=C(CCNC3=NC=NC=C3C(=O)[O-])N=C12	REAL300011087581	0	36	-1.0	-46.20	331.47	9.56	-36.64
CC1=CC(Br)=CN2C=C(CCNC3=NC=C(C(=O)[O-])C=N3)N=C12	REAL300011087582	0	36	-1.0	-49.30	336.56	9.86	-39.44
CC1=CC(Br)=CN2C=C(CCNC3=NC=C(C(=O)[O-])S3)N=C12	REAL300011087583	0	34	-1.0	-55.15	332.43	8.60	-46.55
CC1=CC(Br)=CN2C=C(CCNC3=CC(C(=O)[O-])=NC=N3)N=C12	REAL300011087584	0	36	-1.0	-55.43	335.58	9.03	-46.40
CC1=CC(Br)=CN2C=C(CCNC3=NC=CC=C3C(=O)[O-])N=C12	REAL300011087585	0	37	-1.0	-50.76	336.35	9.76	-41.00
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])C=[NH+]3)N=C12	REAL300011087586	0	38	0.0	-46.01	342.51	9.66	-36.35
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])C=N3)N=C12	REAL300011087586	1	37	-1.0	-52.53	339.36	9.20	-43.33
CC1=CC(Br)=CN2C=C(CCNC3=CC(C(=O)[O-])=CC=[NH+]3)N=C12	REAL300011087587	0	38	0.0	-54.38	342.98	9.69	-44.69
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])C(C)=[NH+]3)N=C12	REAL300011087588	0	41	0.0	-43.99	358.46	10.14	-33.85
CC1=CC(Br)=CN2C=C(CCNC3=CN=C(C(=O)[O-])C=N3)N=C12	REAL300011087589	0	36	-1.0	-54.98	335.03	7.34	-47.64
CC1=CC(Br)=CN2C=C(CCNC3=NC=C(C(=O)[O-])C(C)=N3)N=C12	REAL300011087590	0	39	-1.0	-49.07	353.03	10.38	-38.69
CC1=CC(Br)=CN2C=C(CCNC3=CC=C(C(=O)[O-])N=N3)N=C12	REAL300011087591	0	36	-1.0	-55.21	335.42	8.14	-47.07
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C=C3C(=O)[O-])N=C12	REAL300011087592	0	38	0.0	-42.46	338.00	9.06	-33.40
CC1=CC(Br)=CN2C=C(CCNC3=CC=[NH+]C(C(=O)[O-])=C3)N=C12	REAL300011087593	0	38	0.0	-36.31	342.99	8.78	-27.53
CC1=CC(Br)=CN2C=C(CCNC3=CC=NC(C(=O)[O-])=C3)N=C12	REAL300011087593	1	37	-1.0	-56.74	340.58	8.37	-48.37
CC1=CC=C(C(=O)[O-])C(NCCC2=CN3C=C(Br)C=C(C)C3=N2)=N1	REAL300011087594	0	40	-1.0	-51.93	357.94	10.36	-41.57
CC1=CC=C(C(=O)[O-])C(NCCC2=CN3C=C(Br)C=C(C)C3=N2)=[NH+]1	REAL300011087594	1	41	0.0	-38.03	359.08	10.68	-27.35
O=C([O-])C1=C(N2CCOCC3(CCC3)C2)C2=CC=CC=C2N=N1	REAL300011087595	0	41	-1.0	-56.00	306.38	6.48	-49.52
O=C([O-])C1=CC(N2CCOCC3(CCC3)C2)=CC=C1[N+](=O)[O-]	REAL300011087596	0	39	-1.0	-60.15	304.19	8.16	-51.99
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCOCC4(CCC4)C3)=C12	REAL300011087597	0	44	-1.0	-49.52	342.33	8.82	-40.70
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(N3CCOCC4(CCC4)C3)=C12	REAL300011087598	0	52	-1.0	-49.29	396.91	7.28	-42.01
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N3CCOCC4(CCC4)C3)=C12	REAL300011087598	1	53	0.0	-70.88	399.33	9.76	-61.12
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCOCC4(CCC4)C3)=C12	REAL300011087599	0	41	-1.0	-48.81	321.57	8.87	-39.94
NS(=O)(=O)C1=CC=C(N2CCOCC3(CCC3)C2)C(C(=O)[O-])=C1	REAL300011087600	0	42	-1.0	-60.38	336.25	2.62	-57.76
COC1=CC=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=CN=C12	REAL300011087601	0	46	-1.0	-53.44	337.07	7.18	-46.26
CC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087602	0	49	0.0	-36.65	351.19	9.68	-26.97
CC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087603	0	46	0.0	-38.68	332.46	8.89	-29.79
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCOCC4(CCC4)C3)=C2C=C1	REAL300011087604	0	49	0.0	-36.51	346.44	9.54	-26.97
COC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087605	0	47	0.0	-39.99	340.51	7.53	-32.46
CC1=CC=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087606	0	46	0.0	-37.53	329.83	9.02	-28.51
O=C([O-])C1=C(N2CCOCC3(CCC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087607	0	46	0.0	-30.90	334.49	6.40	-24.50
COC1=CC2=C(N3CCOCC4(CCC4)C3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087608	0	50	-1.0	-48.09	363.90	5.99	-42.10
O=C([O-])C1=CC=NC(N2CCOCC3(CCC3)C2)=C1[N+](=O)[O-]	REAL300011087609	0	38	-1.0	-53.76	307.32	7.20	-46.56
O=C([O-])CC1=CC=C(N2CCOCC3(CCC3)C2)C([N+](=O)[O-])=C1	REAL300011087610	0	42	-1.0	-47.32	332.49	9.11	-38.21
CC1=C(C(=O)[O-])C(N2CCOCC3(CCC3)C2)=NC2=CC=CC=C21	REAL300011087611	0	45	-1.0	-60.52	341.15	8.89	-51.63
CC1=CC(N2CCOCC3(CCC3)C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087612	0	42	-1.0	-48.15	323.14	9.16	-38.99
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2CCOCC3(CCC3)C2)=N1	REAL300011087613	0	38	-1.0	-42.91	305.54	7.58	-35.33
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCOCC3(CCC3)C2)=N1	REAL300011087614	0	41	-1.0	-53.94	328.05	7.79	-46.15
O=C([O-])C1=CN=C(N2CCOCC3(CCC3)C2)C([N+](=O)[O-])=C1	REAL300011087615	0	38	-1.0	-41.48	302.22	7.46	-34.02
O=C([O-])C1=CC2=NC=NC(N3CCOCC4(CCC4)C3)=C2C=C1	REAL300011087616	0	41	-1.0	-46.73	317.59	8.08	-38.65
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCOCC2(CCC2)C1	REAL300011087617	0	39	-1.0	-49.56	298.98	8.51	-41.05
O=C([O-])C1=CN=C(N2CCOCC3(CCC3)C2)C([N+](=O)[O-])=C1	REAL300011087618	0	38	-1.0	-41.48	302.22	7.46	-34.02
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1CCOCC2(CCC2)C1	REAL300011087619	0	39	-1.0	-46.04	314.44	7.90	-38.14
O=C([O-])CC1=CC=C(N2CCOCC3(CCC3)C2)C([N+](=O)[O-])=C1	REAL300011087620	0	42	-1.0	-47.32	332.49	9.11	-38.21
COCCN1N=CC2=C1C(NC1=C(C(=O)[O-])N=NC3=CC=CC=C31)CCC2	REAL300011087621	0	47	-1.0	-57.61	361.90	5.91	-51.70
COCCN1N=CC2=C1C(NC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)CCC2	REAL300011087622	0	45	-1.0	-64.15	373.57	8.49	-55.66
COCCN1N=CC2=C1C(NC1=C3C(C)=C(C(=O)[O-])SC3=NC=N1)CCC2	REAL300011087623	0	47	-1.0	-48.83	382.58	8.68	-40.15
COCCN1N=CC2=C1C(NC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-])CCC2	REAL300011087624	0	48	-1.0	-58.04	393.65	2.50	-55.54
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COCCN1N=CC2=C1C(NC1=NC(C)=CC=C1C(=O)[O-])CCC2	REAL300011087660	0	45	-1.0	-52.32	360.50	7.70	-44.62
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CCOC1CC(NC2=C(C(=O)[O-])N=NC3=CC=CC=C32)C1OC	REAL300011087661	0	41	-1.0	-59.45	339.10	5.10	-54.35
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CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC(CN(C)C)=N2)C1OC	REAL300011087664	0	52	-1.0	-48.82	424.19	5.86	-42.96
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CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)C1OC	REAL300011087665	0	41	-1.0	-47.98	346.84	7.10	-40.88
CCOC1CC(NC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])C1OC	REAL300011087666	0	42	-1.0	-56.20	355.98	0.40	-55.80
CCOC1CC(NC2=C(C(=O)[O-])C=NC3=C(OC)C=CC=C32)C1OC	REAL300011087667	0	46	-1.0	-63.02	362.74	5.69	-57.33
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C1OC	REAL300011087668	0	49	0.0	-35.54	378.67	8.19	-27.35
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C1OC	REAL300011087669	0	46	0.0	-37.41	360.69	7.41	-30.00
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C1OC	REAL300011087670	0	49	0.0	-41.86	380.36	7.90	-33.96
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C1OC	REAL300011087671	0	47	0.0	-38.96	368.81	6.06	-32.90
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C1OC	REAL300011087672	0	46	0.0	-40.87	364.31	6.69	-34.18
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CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C1OC	REAL300011087676	0	42	-1.0	-48.37	354.82	6.89	-41.48
CCOC1CC(NC2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])C1OC	REAL300011087677	0	45	-1.0	-54.21	366.88	7.52	-46.69
CCOC1CC(NC2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])C1OC	REAL300011087678	0	42	-1.0	-45.17	349.14	7.18	-37.99
CCOC1CC(NC2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])C1OC	REAL300011087679	0	38	-1.0	-48.89	329.25	6.01	-42.88
CCOC1CC(NC2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])C1OC	REAL300011087680	0	41	-1.0	-54.53	351.88	7.34	-47.19
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1OC	REAL300011087681	0	38	-1.0	-40.78	329.04	5.25	-35.53
CCOC1CC(NC2=NC=NC3=CC(C(=O)[O-])=CC=C32)C1OC	REAL300011087682	0	41	-1.0	-51.14	344.06	6.44	-44.70
CCOC1CC(NC2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])C1OC	REAL300011087683	0	39	-1.0	-45.14	317.94	6.31	-38.83
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C1OC	REAL300011087684	0	38	-1.0	-40.78	329.04	5.25	-35.53
CCOC1CC(NC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])C1OC	REAL300011087685	0	39	-1.0	-42.06	340.05	6.03	-36.03
CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C1OC	REAL300011087686	0	42	-1.0	-48.37	354.82	6.89	-41.48
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O=C([O-])C1=CC=C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)[NH+]=C1	REAL300011087708	1	40	0.0	-43.87	321.08	7.55	-36.32
O=C([O-])C1=CC2=NC=NC(N3CCC4(C3)CC(=O)C3=CC=CC=C3O4)=C2C=C1	REAL300011087709	0	44	-1.0	-52.78	357.70	9.25	-43.53
O=C([O-])C1=CC=[NH+]C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=C1	REAL300011087710	0	40	0.0	-54.50	321.52	7.58	-46.92
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CC1=[NH+]C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=CC=C1C(=O)[O-]	REAL300011087712	0	43	0.0	-41.14	338.56	7.68	-33.46
O=C([O-])C1=CN=C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)C=N1	REAL300011087713	0	38	-1.0	-53.62	318.01	5.41	-48.21
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CC1=NC(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=NC=C1C(=O)[O-]	REAL300011087715	0	41	-1.0	-43.89	333.64	7.95	-35.94
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300011087716	0	42	-1.0	-48.43	360.79	9.25	-39.18
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O=C([O-])CC1=CC=C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)C([N+](=O)[O-])=C1	REAL300011087718	0	45	-1.0	-53.07	375.52	10.64	-42.43
O=C([O-])C1=C[NH+]=CC=C1N1CCC2(C1)CC(=O)C1=CC=CC=C1O2	REAL300011087719	0	40	0.0	-59.18	323.75	7.78	-51.40
O=C([O-])C1=CC(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=CC=[NH+]1	REAL300011087720	0	40	0.0	-40.00	324.18	6.67	-33.33
O=C([O-])C1=CC(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=CC=N1	REAL300011087720	1	39	-1.0	-55.92	321.78	6.26	-49.66
CC1=CC=C(C(=O)[O-])C(N2CCC3(C2)CC(=O)C2=CC=CC=C2O3)=[NH+]1	REAL300011087721	0	43	0.0	-47.85	343.55	9.22	-38.63
C[C@H](NC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=CC=C(C(C)(C)C)C=C1	REAL300011087722	0	46	-1.0	-55.57	369.91	11.83	-43.74
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N[C@@H](C)C3=CC=C(C(C)(C)C)C=C3)=C12	REAL300011087723	0	51	-1.0	-46.78	407.19	12.14	-34.64
CC1=C(C(=O)[O-])SC2=NC=NC(N[C@@H](C)C3=CC=C(C(C)(C)C)C=C3)=C12	REAL300011087724	0	48	-1.0	-45.95	385.37	12.20	-33.75
C[C@H](NC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300011087725	0	45	-1.0	-51.18	370.62	11.61	-39.57
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300011087726	0	48	-1.0	-51.30	392.22	12.22	-39.08
C[C@H](NC1=NC=C(C(=O)[O-])S1)C1=CC=C(C(C)(C)C)C=C1	REAL300011087727	0	40	-1.0	-48.25	335.14	9.31	-38.94
C[C@H](NC1=NC=NC2=CC(C(=O)[O-])=CC=C21)C1=CC=C(C(C)(C)C)C=C1	REAL300011087728	0	48	-1.0	-50.07	382.06	12.25	-37.82
CC1=NC(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300011087729	0	46	-1.0	-46.82	356.58	10.30	-36.52
CC1=[NH+]C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300011087729	1	47	0.0	-38.49	359.43	10.72	-27.77
CC1=NC(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=NC=C1C(=O)[O-]	REAL300011087730	0	45	-1.0	-42.42	355.49	11.10	-31.32
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300011087731	0	46	-1.0	-50.26	360.40	11.10	-39.16
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C(C(C)(C)C)C=C2)=[NH+]1	REAL300011087731	1	47	0.0	-40.40	361.15	11.39	-29.01
CCC1=CC=C2OCC[C@H](NC3=CC=C([N+](=O)[O-])C(C(=O)[O-])=C3)C2=C1	REAL300011087732	0	42	-1.0	-56.03	348.93	10.19	-45.84
CCC1=CC=C2OCC[C@H](NC3=C4C(C)=C(C(=O)[O-])SC4=NC(C)=N3)C2=C1	REAL300011087733	0	47	-1.0	-47.22	386.39	10.52	-36.70
CCC1=CC=C2OCC[C@H](NC3=C4C(C)=C(C(=O)[O-])SC4=NC=N3)C2=C1	REAL300011087734	0	44	-1.0	-46.50	364.56	10.58	-35.92
CCC1=CC=C2OCC[C@H](NC3=NC=CC(C(=O)[O-])=C3[N+](=O)[O-])C2=C1	REAL300011087735	0	41	-1.0	-51.72	349.69	10.01	-41.71
CCC1=CC=C2OCC[C@H](NC3=NC(C)=CC(C(=O)[O-])=C3[N+](=O)[O-])C2=C1	REAL300011087736	0	44	-1.0	-51.86	371.32	10.59	-41.27
CCC1=CC=C2OCC[C@H](NC3=NC=C(C(=O)[O-])S3)C2=C1	REAL300011087737	0	36	-1.0	-48.08	314.22	7.69	-40.39
CCC1=CC=C2OCC[C@H](NC3=NC=NC4=CC(C(=O)[O-])=CC=C43)C2=C1	REAL300011087738	0	44	-1.0	-50.15	361.17	10.64	-39.51
CCC1=CC=C2OCC[C@H](NC3=CC=C(C(=O)[O-])C(C)=N3)C2=C1	REAL300011087739	0	42	-1.0	-48.36	339.27	8.75	-39.61
CCC1=CC=C2OCC[C@H](NC3=CC=C(C(=O)[O-])C(C)=[NH+]3)C2=C1	REAL300011087739	1	43	0.0	-41.68	342.11	9.19	-32.49
CCC1=CC=C2OCC[C@H](NC3=NC=C(C(=O)[O-])C(C)=N3)C2=C1	REAL300011087740	0	41	-1.0	-42.49	334.62	9.49	-33.00
CCC1=CC=C2OCC[C@H](NC3=NC(C)=CC=C3C(=O)[O-])C2=C1	REAL300011087741	0	42	-1.0	-51.05	339.47	9.48	-41.57
CCC1=CC=C2OCC[C@H](NC3=[NH+]C(C)=CC=C3C(=O)[O-])C2=C1	REAL300011087741	1	43	0.0	-41.24	339.16	9.78	-31.46
CC1CC(CNC2=C(C(=O)[O-])N=NC3=CC=CC=C32)C(C)O1	REAL300011087742	0	40	-1.0	-59.59	319.09	5.74	-53.85
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3CC(C)OC3C)=C12	REAL300011087743	0	43	-1.0	-46.39	351.96	7.59	-38.80
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCC3CC(C)OC3C)=C12	REAL300011087744	0	51	-1.0	-46.06	399.76	6.09	-39.97
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CC(C)OC3C)=C12	REAL300011087744	1	52	0.0	-65.88	402.18	8.57	-57.31
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3CC(C)OC3C)=C12	REAL300011087745	0	40	-1.0	-45.64	322.34	7.35	-38.29
CC1CC(CNC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])C(C)O1	REAL300011087746	0	41	-1.0	-52.05	340.79	1.47	-50.58
COC1=CC=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=CN=C12	REAL300011087747	0	45	-1.0	-53.83	355.26	6.32	-47.51
CC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087748	0	48	0.0	-38.86	364.78	8.66	-30.20
CC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087749	0	45	0.0	-40.52	352.56	8.10	-32.42
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CC(C)OC3C)=C2C=C1	REAL300011087750	0	48	0.0	-37.00	364.06	8.67	-28.33
COC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087751	0	46	0.0	-41.43	360.66	6.74	-34.69
CC1=CC=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=C[NH+]=C12	REAL300011087752	0	45	0.0	-37.78	347.14	8.13	-29.65
CC1CC(CNC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)C(C)O1	REAL300011087753	0	45	0.0	-38.76	351.81	5.89	-32.87
COC1=CC2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087754	0	49	-1.0	-51.89	383.71	5.58	-46.31
COC1=CC(Cl)=C(OC)C2=C(NCC3CC(C)OC3C)C(C(=O)[O-])=CN=C12	REAL300011087755	0	49	-1.0	-43.27	394.21	6.94	-36.33
CC1CC(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)O1	REAL300011087756	0	41	-1.0	-46.88	339.59	7.96	-38.92
CC1=C(C(=O)[O-])C(NCC2CC(C)OC2C)=NC2=CC=CC=C21	REAL300011087757	0	44	-1.0	-50.27	343.04	8.22	-42.05
CC1=CC(NCC2CC(C)OC2C)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087758	0	41	-1.0	-45.63	330.26	7.71	-37.92
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2CC(C)OC2C)=N1	REAL300011087759	0	40	-1.0	-49.65	336.99	7.66	-41.99
CC1CC(CNC2=NC=NC3=CC(C(=O)[O-])=CC=C32)C(C)O1	REAL300011087760	0	40	-1.0	-51.35	319.02	7.38	-43.97
CC1CC(CNC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])C(C)O1	REAL300011087761	0	38	-1.0	-38.52	323.32	6.92	-31.60
CC1CC(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C(C)O1	REAL300011087762	0	41	-1.0	-46.88	339.59	7.96	-38.92
C[C@@H](NC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=CC=C2CCCCC2=C1	REAL300011087763	0	44	-1.0	-61.96	358.87	11.97	-49.99
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N[C@H](C)C3=CC=C4CCCCC4=C3)=C12	REAL300011087764	0	49	-1.0	-47.04	393.66	12.34	-34.70
CC1=C(C(=O)[O-])SC2=NC=NC(N[C@H](C)C3=CC=C4CCCCC4=C3)=C12	REAL300011087765	0	46	-1.0	-46.27	371.81	12.39	-33.88
C[C@@H](NC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=C2CCCCC2=C1	REAL300011087766	0	43	-1.0	-51.46	357.11	11.78	-39.68
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N[C@H](C)C2=CC=C3CCCCC3=C2)=N1	REAL300011087767	0	46	-1.0	-51.55	378.74	12.38	-39.17
C[C@@H](NC1=NC=C(C(=O)[O-])S1)C1=CC=C2CCCCC2=C1	REAL300011087768	0	38	-1.0	-48.59	321.62	9.48	-39.11
C[C@@H](NC1=NC=NC2=CC(C(=O)[O-])=CC=C21)C1=CC=C2CCCCC2=C1	REAL300011087769	0	46	-1.0	-50.40	368.55	12.42	-37.98
CC1=NC(N[C@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087770	0	44	-1.0	-47.11	343.12	10.47	-36.64
CC1=[NH+]C(N[C@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087770	1	45	0.0	-38.58	345.87	10.88	-27.70
CC1=NC(N[C@H](C)C2=CC=C3CCCCC3=C2)=NC=C1C(=O)[O-]	REAL300011087771	0	43	-1.0	-42.89	342.01	11.27	-31.62
CC1=CC=C(C(=O)[O-])C(N[C@H](C)C2=CC=C3CCCCC3=C2)=N1	REAL300011087772	0	44	-1.0	-50.65	346.90	11.27	-39.38
CC1=CC=C(C(=O)[O-])C(N[C@H](C)C2=CC=C3CCCCC3=C2)=[NH+]1	REAL300011087772	1	45	0.0	-40.45	346.72	11.57	-28.88
C[C@H](NC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)C1=CC=C2CCCCC2=C1	REAL300011087773	0	44	-1.0	-55.76	356.45	11.99	-43.77
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N[C@@H](C)C3=CC=C4CCCCC4=C3)=C12	REAL300011087774	0	49	-1.0	-46.99	393.73	12.31	-34.68
CC1=C(C(=O)[O-])SC2=NC=NC(N[C@@H](C)C3=CC=C4CCCCC4=C3)=C12	REAL300011087775	0	46	-1.0	-46.28	371.90	12.37	-33.91
C[C@H](NC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])C1=CC=C2CCCCC2=C1	REAL300011087776	0	43	-1.0	-51.46	357.12	11.77	-39.69
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=N1	REAL300011087777	0	46	-1.0	-51.56	378.75	12.38	-39.18
C[C@H](NC1=NC=C(C(=O)[O-])S1)C1=CC=C2CCCCC2=C1	REAL300011087778	0	38	-1.0	-48.59	321.64	9.48	-39.11
C[C@H](NC1=NC=NC2=CC(C(=O)[O-])=CC=C21)C1=CC=C2CCCCC2=C1	REAL300011087779	0	46	-1.0	-50.38	368.56	12.42	-37.96
CC1=NC(N[C@@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087780	0	44	-1.0	-48.52	346.98	10.56	-37.96
CC1=[NH+]C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300011087780	1	45	0.0	-38.58	345.93	10.89	-27.69
CC1=NC(N[C@@H](C)C2=CC=C3CCCCC3=C2)=NC=C1C(=O)[O-]	REAL300011087781	0	43	-1.0	-42.91	342.00	11.27	-31.64
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=N1	REAL300011087782	0	44	-1.0	-50.65	346.91	11.27	-39.38
CC1=CC=C(C(=O)[O-])C(N[C@@H](C)C2=CC=C3CCCCC3=C2)=[NH+]1	REAL300011087782	1	45	0.0	-40.60	347.66	11.56	-29.04
O=C([O-])C1=C(NCC2CCCC(F)(F)C2)C2=CC=CC=C2N=N1	REAL300011087783	0	39	-1.0	-56.42	321.22	7.89	-48.53
O=C([O-])C1=CC(NCC2CCCC(F)(F)C2)=CC=C1[N+](=O)[O-]	REAL300011087784	0	37	-1.0	-65.67	313.25	9.25	-56.42
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3CCCC(F)(F)C3)=C12	REAL300011087785	0	42	-1.0	-47.48	346.11	9.46	-38.02
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCC3CCCC(F)(F)C3)=C12	REAL300011087786	0	50	-1.0	-47.80	402.31	8.30	-39.50
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CCCC(F)(F)C3)=C12	REAL300011087786	1	51	0.0	-71.00	404.12	10.74	-60.26
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3CCCC(F)(F)C3)=C12	REAL300011087787	0	39	-1.0	-48.93	324.90	9.54	-39.39
NS(=O)(=O)C1=CC=C(NCC2CCCC(F)(F)C2)C(C(=O)[O-])=C1	REAL300011087788	0	40	-1.0	-58.24	335.48	3.36	-54.88
COC1=CC=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=CN=C12	REAL300011087789	0	44	-1.0	-58.06	352.00	8.30	-49.76
CC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087790	0	47	0.0	-41.22	365.25	10.75	-30.47
CC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087791	0	44	0.0	-40.35	348.90	10.00	-30.35
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CCCC(F)(F)C3)=C2C=C1	REAL300011087792	0	47	0.0	-41.21	360.82	10.65	-30.56
COC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087793	0	45	0.0	-41.59	356.99	8.64	-32.95
CC1=CC=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087794	0	44	0.0	-42.17	343.86	10.10	-32.07
O=C([O-])C1=C(NCC2CCCC(F)(F)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087795	0	44	0.0	-43.50	352.32	7.99	-35.51
COC1=CC2=C(NCC3CCCC(F)(F)C3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087796	0	48	-1.0	-56.30	381.40	7.61	-48.69
O=C([O-])C1=CC=NC(NCC2CCCC(F)(F)C2)=C1[N+](=O)[O-]	REAL300011087797	0	36	-1.0	-50.93	310.16	8.93	-42.00
O=C([O-])CC1=CC=C(NCC2CCCC(F)(F)C2)C([N+](=O)[O-])=C1	REAL300011087798	0	40	-1.0	-50.01	331.81	9.82	-40.19
CC1=C(C(=O)[O-])C(NCC2CCCC(F)(F)C2)=NC2=CC=CC=C12	REAL300011087799	0	43	-1.0	-55.33	345.54	10.41	-44.92
CC1=CC(NCC2CCCC(F)(F)C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087800	0	40	-1.0	-53.20	325.54	9.60	-43.60
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2CCCC(F)(F)C2)=N1	REAL300011087801	0	36	-1.0	-41.58	309.97	8.45	-33.13
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2CCCC(F)(F)C2)=N1	REAL300011087802	0	39	-1.0	-53.73	331.79	9.55	-44.18
O=C([O-])C1=CN=C(NCC2CCCC(F)(F)C2)C([N+](=O)[O-])=C1	REAL300011087803	0	36	-1.0	-42.34	308.97	8.43	-33.91
O=C([O-])C1=CC2=NC=NC(NCC3CCCC(F)(F)C3)=C2C=C1	REAL300011087804	0	39	-1.0	-51.99	321.58	9.57	-42.42
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1NCC1CCCC(F)(F)C1	REAL300011087805	0	37	-1.0	-47.86	304.63	9.11	-38.75
O=C([O-])C1=CN=C(NCC2CCCC(F)(F)C2)C([N+](=O)[O-])=C1	REAL300011087806	0	36	-1.0	-42.34	308.97	8.43	-33.91
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC1CCCC(F)(F)C1	REAL300011087807	0	37	-1.0	-43.30	318.89	8.90	-34.40
O=C([O-])CC1=CC=C(NCC2CCCC(F)(F)C2)C([N+](=O)[O-])=C1	REAL300011087808	0	40	-1.0	-50.01	331.81	9.82	-40.19
O=C([O-])C1=CC=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)N=N1	REAL300011087809	0	35	-1.0	-54.90	315.45	8.08	-46.82
O=C([O-])C1=COC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=N1	REAL300011087810	0	33	-1.0	-54.26	303.12	5.53	-48.73
O=C([O-])C1=CN=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)N=C1	REAL300011087811	0	35	-1.0	-44.19	312.92	9.75	-34.44
O=C([O-])C1=C[NH+]=CC=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087812	0	37	0.0	-43.14	311.57	9.08	-34.06
O=C([O-])C1=CN=CN=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087813	0	35	-1.0	-44.58	310.42	10.25	-34.33
O=C([O-])C1=CN=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)N=C1	REAL300011087814	0	35	-1.0	-44.19	312.92	9.75	-34.44
O=C([O-])C1=CN=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)S1	REAL300011087815	0	33	-1.0	-52.74	308.76	8.45	-44.29
O=C([O-])C1=CC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=NC=N1	REAL300011087816	0	35	-1.0	-50.05	315.87	9.24	-40.81
O=C([O-])C1=CC=C[NH+]=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087817	0	37	0.0	-42.15	312.70	10.19	-31.96
O=C([O-])C1=CC=CN=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087817	1	36	-1.0	-48.99	315.05	10.65	-38.34
O=C([O-])C1=CC=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)N=C1	REAL300011087818	0	36	-1.0	-50.63	319.36	9.45	-41.18
O=C([O-])C1=CC=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)[NH+]=C1	REAL300011087818	1	37	0.0	-40.58	318.23	9.59	-30.99
O=C([O-])C1=CC=[NH+]C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=C1	REAL300011087819	0	37	0.0	-44.69	318.53	9.61	-35.08
CC1=[NH+]C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=CC=C1C(=O)[O-]	REAL300011087820	0	40	0.0	-35.66	343.00	10.51	-25.15
O=C([O-])C1=CN=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)C=N1	REAL300011087821	0	35	-1.0	-52.72	315.05	7.55	-45.17
CC1=NC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=NC=C1C(=O)[O-]	REAL300011087822	0	38	-1.0	-46.22	331.77	9.47	-36.75
O=C([O-])C1=CC=C(N2CC=C(C3=CC=CC(Br)=C3)CC2)N=N1	REAL300011087823	0	35	-1.0	-54.90	315.45	8.08	-46.82
O=C([O-])C1=C[NH+]=CC=C1N1CC=C(C2=CC=CC(Br)=C2)CC1	REAL300011087824	0	37	0.0	-43.14	311.57	9.08	-34.06
O=C([O-])C1=CC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=CC=[NH+]1	REAL300011087825	0	37	0.0	-37.23	323.41	9.13	-28.10
O=C([O-])C1=CC(N2CC=C(C3=CC=CC(Br)=C3)CC2)=CC=N1	REAL300011087825	1	36	-1.0	-53.59	321.00	8.72	-44.87
CC1=CC=C(C(=O)[O-])C(N2CC=C(C3=CC=CC(Br)=C3)CC2)=[NH+]1	REAL300011087826	0	40	0.0	-47.12	346.14	11.72	-35.40
CCOC1CC(NC2=C(C(=O)[O-])N=NC3=CC=CC=C32)C12CCOCC2	REAL300011087827	0	48	-1.0	-56.70	363.18	6.42	-50.28
CCOC1CC(NC2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)C12CCOCC2	REAL300011087828	0	46	-1.0	-62.60	364.62	8.29	-54.31
CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC(C)=N2)C12CCOCC2	REAL300011087829	0	51	-1.0	-47.98	397.96	8.68	-39.30
CCOC1CC(NC2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)C12CCOCC2	REAL300011087830	0	48	-1.0	-47.38	372.58	8.36	-39.02
CCOC1CC(NC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])C12CCOCC2	REAL300011087831	0	49	-1.0	-53.89	387.19	2.17	-51.72
CCOC1CC(NC2=C(C(=O)[O-])C=NC3=C(OC)C=CC=C32)C12CCOCC2	REAL300011087832	0	53	-1.0	-51.38	387.97	6.70	-44.68
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)C12CCOCC2	REAL300011087833	0	56	0.0	-31.25	397.56	8.98	-22.27
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)C12CCOCC2	REAL300011087834	0	53	0.0	-39.13	382.85	8.43	-30.70
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)C12CCOCC2	REAL300011087835	0	56	0.0	-36.74	406.01	8.95	-27.79
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=CC=C(OC)C=C32)C12CCOCC2	REAL300011087836	0	54	0.0	-39.48	390.99	7.07	-32.41
CCOC1CC(NC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)C12CCOCC2	REAL300011087837	0	53	0.0	-38.22	379.42	8.55	-29.67
CCOC1CC(NC2=CC=C(C(=O)[O-])N=N2)C12CCOCC2	REAL300011087838	0	42	-1.0	-52.55	328.11	5.18	-47.37
CCOC1CC(NC2=NC=C(C(=O)[O-])C=N2)C12CCOCC2	REAL300011087839	0	42	-1.0	-43.01	331.58	6.92	-36.09
CCOC1CC(NC2=CC=[NH+]C=C2C(=O)[O-])C12CCOCC2	REAL300011087840	0	44	0.0	-39.62	327.87	5.94	-33.68
CCOC1CC(NC2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])C12CCOCC2	REAL300011087841	0	45	-1.0	-51.31	362.45	8.10	-43.21
CCOC1CC(NC2=NC=NC=C2C(=O)[O-])C12CCOCC2	REAL300011087842	0	42	-1.0	-42.42	325.13	6.76	-35.66
CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C12CCOCC2	REAL300011087843	0	49	-1.0	-46.53	382.30	8.67	-37.86
CCOC1CC(NC2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])C12CCOCC2	REAL300011087844	0	52	-1.0	-51.89	397.90	9.62	-42.27
CCOC1CC(NC2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])C12CCOCC2	REAL300011087845	0	49	-1.0	-45.78	378.26	8.72	-37.06
CCOC1CC(NC2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])C12CCOCC2	REAL300011087846	0	45	-1.0	-46.07	359.80	7.60	-38.47
CCOC1CC(NC2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])C12CCOCC2	REAL300011087847	0	48	-1.0	-51.70	384.04	8.72	-42.98
CCOC1CC(NC2=NC=C(C(=O)[O-])C=N2)C12CCOCC2	REAL300011087848	0	42	-1.0	-43.01	331.58	6.92	-36.09
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C12CCOCC2	REAL300011087849	0	45	-1.0	-43.50	356.21	7.35	-36.15
CCOC1CC(NC2=NC=C(C(=O)[O-])S2)C12CCOCC2	REAL300011087850	0	40	-1.0	-52.59	326.99	5.81	-46.78
CCOC1CC(NC2=CC(C(=O)[O-])=NC=N2)C12CCOCC2	REAL300011087851	0	42	-1.0	-49.47	329.75	6.05	-43.42
CCOC1CC(NC2=NC=CC=C2C(=O)[O-])C12CCOCC2	REAL300011087852	0	43	-1.0	-46.47	329.86	6.97	-39.50
CCOC1CC(NC2=CC=C(C(=O)[O-])C=N2)C12CCOCC2	REAL300011087853	0	43	-1.0	-50.16	333.65	6.20	-43.96
CCOC1CC(NC2=NC=NC3=CC(C(=O)[O-])=CC=C32)C12CCOCC2	REAL300011087854	0	48	-1.0	-53.44	371.06	8.60	-44.84
CCOC1CC(NC2=CC(C(=O)[O-])=CC=N2)C12CCOCC2	REAL300011087855	0	43	-1.0	-52.05	329.45	5.91	-46.14
CCOC1CC(NC2=CC(C(=O)[O-])=CC=[NH+]2)C12CCOCC2	REAL300011087855	1	44	0.0	-47.10	334.32	6.49	-40.61
CCOC1CC(NC2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])C12CCOCC2	REAL300011087856	0	46	-1.0	-42.19	351.32	8.05	-34.14
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=N2)C12CCOCC2	REAL300011087857	0	46	-1.0	-51.04	348.95	6.47	-44.57
CCOC1CC(NC2=CC=C(C(=O)[O-])C(C)=[NH+]2)C12CCOCC2	REAL300011087857	1	47	0.0	-40.86	351.95	7.15	-33.71
CCOC1CC(NC2=CN=C(C(=O)[O-])C=N2)C12CCOCC2	REAL300011087858	0	42	-1.0	-51.49	328.13	4.33	-47.16
CCOC1CC(NC2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])C12CCOCC2	REAL300011087859	0	45	-1.0	-43.50	356.21	7.35	-36.15
CCOC1CC(NC2=NC=C(C(=O)[O-])C(C)=N2)C12CCOCC2	REAL300011087860	0	45	-1.0	-43.89	345.81	7.22	-36.67
CCOC1CC(NC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])C12CCOCC2	REAL300011087861	0	46	-1.0	-42.16	374.69	8.03	-34.13
CCOC1CC(NC2=CC=C(C(=O)[O-])N=N2)C12CCOCC2	REAL300011087862	0	42	-1.0	-52.55	328.11	5.18	-47.37
CCOC1CC(NC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])C12CCOCC2	REAL300011087863	0	49	-1.0	-46.53	382.30	8.67	-37.86
CCOC1CC(NC2=CC=[NH+]C=C2C(=O)[O-])C12CCOCC2	REAL300011087864	0	44	0.0	-39.62	327.87	5.94	-33.68
CCOC1CC(NC2=CC=[NH+]C(C(=O)[O-])=C2)C12CCOCC2	REAL300011087865	0	44	0.0	-34.42	334.41	5.79	-28.63
CCOC1CC(NC2=CC=NC(C(=O)[O-])=C2)C12CCOCC2	REAL300011087865	1	43	-1.0	-54.28	332.00	5.38	-48.90
CCOC1CC(NC2=NC(C)=CC=C2C(=O)[O-])C12CCOCC2	REAL300011087866	0	46	-1.0	-49.65	355.82	7.54	-42.11
CCOC1CC(NC2=[NH+]C(C)=CC=C2C(=O)[O-])C12CCOCC2	REAL300011087866	1	47	0.0	-35.27	349.57	7.62	-27.65
CCC(CC)(CNC1=CC=C(C(=O)[O-])N=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087867	0	50	-1.0	-54.37	384.55	7.65	-46.72
CCC(CC)(CNC1=NC(C(=O)[O-])=CO1)C1=CC=C(OC)C(OC)=C1	REAL300011087868	0	48	-1.0	-53.00	373.73	4.98	-48.02
CCC(CC)(CNC1=NC=C(C(=O)[O-])C=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087869	0	50	-1.0	-46.50	385.89	9.38	-37.12
CCC(CC)(CNC1=CC=[NH+]C=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087870	0	52	0.0	-46.23	387.12	8.56	-37.67
CCC(CC)(CNC1=NC=NC=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087871	0	50	-1.0	-44.63	380.61	9.07	-35.56
CCC(CC)(CNC1=NC=C(C(=O)[O-])C=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087872	0	50	-1.0	-46.50	385.89	9.38	-37.12
CCC(CC)(CNC1=NC=C(C(=O)[O-])S1)C1=CC=C(OC)C(OC)=C1	REAL300011087873	0	48	-1.0	-52.23	381.76	8.12	-44.11
CCC(CC)(CNC1=CC(C(=O)[O-])=NC=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087874	0	50	-1.0	-51.67	384.71	8.54	-43.13
CCC(CC)(CNC1=NC=CC=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087875	0	51	-1.0	-49.16	385.48	9.27	-39.89
CCC(CC)(CNC1=CC=C(C(=O)[O-])C=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087876	0	51	-1.0	-51.04	388.49	8.71	-42.33
CCC(CC)(CNC1=CC(C(=O)[O-])=CC=[NH+]1)C1=CC=C(OC)C(OC)=C1	REAL300011087877	0	52	0.0	-52.75	392.12	9.20	-43.55
CCC(CC)(CNC1=CC=C(C(=O)[O-])C(C)=[NH+]1)C1=CC=C(OC)C(OC)=C1	REAL300011087878	0	55	0.0	-46.22	407.62	9.65	-36.57
CCC(CC)(CNC1=CN=C(C(=O)[O-])C=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087879	0	50	-1.0	-53.26	384.16	6.84	-46.42
CCC(CC)(CNC1=NC=C(C(=O)[O-])C(C)=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087880	0	53	-1.0	-46.13	402.30	9.91	-36.22
CCC(CC)(CNC1=CC=C(C(=O)[O-])N=N1)C1=CC=C(OC)C(OC)=C1	REAL300011087881	0	50	-1.0	-54.37	384.55	7.65	-46.72
CCC(CC)(CNC1=CC=[NH+]C=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087882	0	52	0.0	-46.23	387.12	8.56	-37.67
CCC(CC)(CNC1=CC=[NH+]C(C(=O)[O-])=C1)C1=CC=C(OC)C(OC)=C1	REAL300011087883	0	52	0.0	-40.40	392.12	8.28	-32.12
CCC(CC)(CNC1=CC=NC(C(=O)[O-])=C1)C1=CC=C(OC)C(OC)=C1	REAL300011087883	1	51	-1.0	-56.15	389.71	7.87	-48.28
CCC(CC)(CNC1=NC(C)=CC=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087884	0	54	-1.0	-49.96	407.08	9.87	-40.09
CCC(CC)(CNC1=[NH+]C(C)=CC=C1C(=O)[O-])C1=CC=C(OC)C(OC)=C1	REAL300011087884	1	55	0.0	-42.83	408.21	10.19	-32.64
O=C([O-])C1=CC(NC(CCO)C2CCOCC2)=CC=C1[N+](=O)[O-]	REAL300011087885	0	42	-1.0	-64.95	328.59	4.48	-60.47
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NC(CCO)C3CCOCC3)=C12	REAL300011087886	0	47	-1.0	-50.24	364.79	5.39	-44.85
CC1=C(C(=O)[O-])SC2=NC=NC(NC(CCO)C3CCOCC3)=C12	REAL300011087887	0	44	-1.0	-47.67	346.20	5.31	-42.36
O=C([O-])C1=CC=NC(NC(CCO)C2CCOCC2)=C1[N+](=O)[O-]	REAL300011087888	0	41	-1.0	-52.15	332.15	4.61	-47.54
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NC(CCO)C2CCOCC2)=N1	REAL300011087889	0	44	-1.0	-55.25	350.65	5.33	-49.92
O=C([O-])C1=CC2=NC=NC(NC(CCO)C3CCOCC3)=C2C=C1	REAL300011087890	0	44	-1.0	-52.71	343.64	5.24	-47.47
O=C([O-])C1=C(NCCC2=CCCCCC2)C2=CC=CC=C2N=N1	REAL300011087891	0	43	-1.0	-60.89	340.15	8.90	-51.99
O=C([O-])C1=CC(NCCC2=CCCCCC2)=CC=C1[N+](=O)[O-]	REAL300011087892	0	41	-1.0	-60.61	333.08	10.27	-50.34
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCCC3=CCCCCC3)=C12	REAL300011087893	0	46	-1.0	-45.88	366.42	10.53	-35.35
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCCC3=CCCCCC3)=C12	REAL300011087894	0	54	-1.0	-45.71	421.98	9.32	-36.39
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCCC3=CCCCCC3)=C12	REAL300011087894	1	55	0.0	-64.30	424.41	11.80	-52.50
CC1=C(C(=O)[O-])SC2=NC=NC(NCCC3=CCCCCC3)=C12	REAL300011087895	0	43	-1.0	-45.00	344.58	10.58	-34.42
NS(=O)(=O)C1=CC=C(NCCC2=CCCCCC2)C(C(=O)[O-])=C1	REAL300011087896	0	44	-1.0	-51.08	355.15	4.42	-46.66
COC1=CC=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=CN=C12	REAL300011087897	0	48	-1.0	-56.26	372.99	9.36	-46.90
CC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087898	0	51	0.0	-37.38	385.97	11.83	-25.55
CC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087899	0	48	0.0	-40.85	367.17	10.98	-29.87
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCCC3=CCCCCC3)=C2C=C1	REAL300011087900	0	51	0.0	-38.70	381.04	11.69	-27.01
COC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087901	0	49	0.0	-41.92	375.28	9.62	-32.30
CC1=CC=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087902	0	48	0.0	-38.12	364.06	11.11	-27.01
O=C([O-])C1=C(NCCC2=CCCCCC2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087903	0	48	0.0	-38.23	372.20	9.01	-29.22
COC1=CC2=C(NCCC3=CCCCCC3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087904	0	52	-1.0	-55.12	401.82	8.62	-46.50
O=C([O-])C1=CC=NC(NCCC2=CCCCCC2)=C1[N+](=O)[O-]	REAL300011087905	0	40	-1.0	-48.94	329.84	9.96	-38.98
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CC1=C(C(=O)[O-])C(NCCC2=CCCCCC2)=NC2=CC=CC=C21	REAL300011087907	0	47	-1.0	-51.26	365.30	11.45	-39.81
CC1=CC(NCCC2=CCCCCC2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087908	0	44	-1.0	-45.39	347.99	10.78	-34.61
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COC1(CNC2=C3C(C)=C(C(=O)[O-])SC3=NC(C[NH+](C)C)=N2)CCOC1	REAL300011087919	1	50	0.0	-70.50	393.24	6.16	-64.34
COC1(CNC2=C3C(C)=C(C(=O)[O-])SC3=NC=N2)CCOC1	REAL300011087920	0	38	-1.0	-46.31	313.44	4.95	-41.36
COC1(CNC2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CCOC1	REAL300011087921	0	39	-1.0	-56.16	327.63	-1.24	-57.40
COC1=CC=CC2=C(NCC3(OC)CCOC3)C(C(=O)[O-])=CN=C12	REAL300011087922	0	43	-1.0	-50.68	330.43	3.18	-47.50
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=C(C)C=C23)CCOC1	REAL300011087923	0	46	0.0	-31.99	347.86	5.70	-26.29
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=CC=C(C)C=C32)CCOC1	REAL300011087924	0	43	0.0	-38.30	315.82	5.09	-33.21
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C(C)=CC=C23)CCOC1	REAL300011087925	0	46	0.0	-29.85	336.51	5.07	-24.78
COC1=CC2=C(NCC3(OC)CCOC3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087926	0	44	0.0	-35.30	327.28	3.63	-31.67
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=C(C)C=CC=C23)CCOC1	REAL300011087927	0	43	0.0	-30.61	318.85	4.52	-26.09
COC1(CNC2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)CCOC1	REAL300011087928	0	43	0.0	-36.44	320.55	3.09	-33.35
COC1=CC2=C(NCC3(OC)CCOC3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087929	0	47	-1.0	-54.60	349.98	2.70	-51.90
COC1=CC(Cl)=C(OC)C2=C(NCC3(OC)CCOC3)C(C(=O)[O-])=CN=C12	REAL300011087930	0	47	-1.0	-43.62	373.76	4.10	-39.52
COC1(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CCOC1	REAL300011087931	0	39	-1.0	-46.90	323.08	5.25	-41.65
COC1(CNC2=NC3=CC=CC=C3C(C)=C2C(=O)[O-])CCOC1	REAL300011087932	0	42	-1.0	-54.72	334.39	5.81	-48.91
COC1(CNC2=CC(C)=C([N+](=O)[O-])C=C2C(=O)[O-])CCOC1	REAL300011087933	0	39	-1.0	-52.69	314.10	5.00	-47.69
COC1(CNC2=NC(C)=CC(C(=O)[O-])=C2[N+](=O)[O-])CCOC1	REAL300011087934	0	38	-1.0	-50.96	320.71	4.99	-45.97
COC1(CNC2=NC=NC3=CC(C(=O)[O-])=CC=C32)CCOC1	REAL300011087935	0	38	-1.0	-50.52	310.53	5.00	-45.52
COC1(CNC2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CCOC1	REAL300011087936	0	36	-1.0	-42.50	305.41	4.29	-38.21
COC1(CNC2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CCOC1	REAL300011087937	0	39	-1.0	-46.90	323.08	5.25	-41.65
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3CC3(F)F)=C12	REAL300011087938	0	33	-1.0	-47.00	298.16	7.72	-39.28
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(NCC3CC3(F)F)=C12	REAL300011087939	0	41	-1.0	-46.57	353.54	6.54	-40.03
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(NCC3CC3(F)F)=C12	REAL300011087939	1	42	0.0	-65.84	356.15	9.00	-56.84
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COC1=CC=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=CN=C12	REAL300011087941	0	35	-1.0	-61.61	303.50	6.51	-55.10
CC1=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087942	0	38	0.0	-44.25	315.80	8.90	-35.35
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3CC3(F)F)=C2C=C1	REAL300011087943	0	38	0.0	-44.47	311.95	8.85	-35.62
COC1=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087944	0	36	0.0	-47.25	306.09	6.78	-40.47
O=C([O-])C1=C(NCC2CC2(F)F)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011087945	0	35	0.0	-45.49	302.69	6.15	-39.34
COC1=CC2=C(NCC3CC3(F)F)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087946	0	39	-1.0	-59.56	332.97	5.85	-53.71
COC1=CC(Cl)=C(OC)C2=C(NCC3CC3(F)F)C(C(=O)[O-])=CN=C12	REAL300011087947	0	39	-1.0	-41.45	345.12	7.05	-34.40
CC1CCN(C2=C(C(=O)[O-])N=NC3=CC=CC=C32)CC12CCCCC2	REAL300011087948	0	49	-1.0	-62.91	342.41	9.69	-53.22
CC1CCN(C2=CC=C([N+](=O)[O-])C(C(=O)[O-])=C2)CC12CCCCC2	REAL300011087949	0	47	-1.0	-58.78	341.34	10.69	-48.09
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCC(C)C4(CCCCC4)C3)=C12	REAL300011087950	0	52	-1.0	-46.49	378.94	11.56	-34.93
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(C)C4(CCCCC4)C3)=C12	REAL300011087951	0	49	-1.0	-45.59	357.06	11.61	-33.98
CC1CCN(C2=CC=C(S(N)(=O)=O)C=C2C(=O)[O-])CC12CCCCC2	REAL300011087952	0	50	-1.0	-56.46	368.28	5.76	-50.70
COC1=CC=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=CN=C12	REAL300011087953	0	54	-1.0	-57.01	375.20	10.13	-46.88
CC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087954	0	57	0.0	-36.76	388.42	12.59	-24.17
CC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087955	0	54	0.0	-39.30	370.75	11.83	-27.47
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(C)C4(CCCCC4)C3)=C2C=C1	REAL300011087956	0	57	0.0	-36.75	384.54	12.49	-24.26
COC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087957	0	55	0.0	-40.01	378.88	10.48	-29.53
CC1=CC=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011087958	0	54	0.0	-37.71	367.07	11.94	-25.77
CC1CCN(C2=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C32)OCO4)CC12CCCCC2	REAL300011087959	0	54	0.0	-36.99	375.22	9.85	-27.14
COC1=CC2=C(N3CCC(C)C4(CCCCC4)C3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011087960	0	58	-1.0	-55.72	404.88	9.44	-46.28
CC1CCN(C2=NC=CC(C(=O)[O-])=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087961	0	46	-1.0	-51.00	343.97	10.16	-40.84
CC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087962	0	50	-1.0	-46.38	364.55	12.26	-34.12
CC1=C(C(=O)[O-])C(N2CCC(C)C3(CCCCC3)C2)=NC2=CC=CC=C21	REAL300011087963	0	53	-1.0	-59.30	379.67	11.84	-47.46
CC1=CC(N2CCC(C)C3(CCCCC3)C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087964	0	50	-1.0	-50.42	361.01	12.12	-38.30
CC1CCN(C2=NC(C(=O)[O-])=CC=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087965	0	46	-1.0	-43.42	341.15	10.47	-32.95
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(C)C3(CCCCC3)C2)=N1	REAL300011087966	0	49	-1.0	-51.40	365.57	10.78	-40.62
CC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087967	0	46	-1.0	-39.80	339.58	10.45	-29.35
CC1CCN(C2=NC=NC3=CC(C(=O)[O-])=CC=C32)CC12CCCCC2	REAL300011087968	0	49	-1.0	-46.66	356.54	11.04	-35.62
CC1CCN(C2=C(C(=O)[O-])C=CC=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087969	0	47	-1.0	-38.90	326.58	10.62	-28.28
CC1=[NH+]C(N2CCC(C)C3(CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300011087970	0	48	0.0	-34.08	328.82	9.58	-24.50
CC1CCN(C2=NC=C(C(=O)[O-])C=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087971	0	46	-1.0	-39.80	339.58	10.45	-29.35
CC1=NC(N2CCC(C)C3(CCCCC3)C2)=NC=C1C(=O)[O-]	REAL300011087972	0	46	-1.0	-42.30	325.48	9.76	-32.54
CC1CCN(C2=NC(C(F)(F)F)=CC=C2C(=O)[O-])CC12CCCCC2	REAL300011087973	0	47	-1.0	-43.02	351.31	10.79	-32.23
CC1CCN(C2=CC=C(CC(=O)[O-])C=C2[N+](=O)[O-])CC12CCCCC2	REAL300011087974	0	50	-1.0	-46.38	364.55	12.26	-34.12
CC1=CC=C(C(=O)[O-])C(N2CCC(C)C3(CCCCC3)C2)=[NH+]1	REAL300011087975	0	48	0.0	-42.93	334.11	10.79	-32.14
CC(C)N1N=CC2=C1C(NC1=C(C(=O)[O-])N=NC3=CC=CC=C31)CCC2	REAL300011087976	0	46	-1.0	-54.11	354.40	7.65	-46.46
CC(C)N1N=CC2=C1C(NC1=CC=C([N+](=O)[O-])C(C(=O)[O-])=C1)CCC2	REAL300011087977	0	44	-1.0	-61.54	360.21	10.11	-51.43
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NC3CCCC4=C3N(C(C)C)N=C4)=C12	REAL300011087978	0	49	-1.0	-46.75	391.27	10.34	-36.41
CC1=C(C(=O)[O-])SC2=NC=NC(NC3CCCC4=C3N(C(C)C)N=C4)=C12	REAL300011087979	0	46	-1.0	-45.99	365.83	10.26	-35.73
CC(C)N1N=CC2=C1C(NC1=CC=C(S(N)(=O)=O)C=C1C(=O)[O-])CCC2	REAL300011087980	0	47	-1.0	-53.16	379.78	4.14	-49.02
COC1=CC=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=CN=C12	REAL300011087981	0	51	-1.0	-49.76	388.38	8.41	-41.35
CC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011087982	0	54	0.0	-41.64	400.23	10.68	-30.96
CC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087983	0	51	0.0	-36.33	383.69	10.11	-26.22
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NC3CCCC4=C3N(C(C)C)N=C4)=C2C=C1	REAL300011087984	0	54	0.0	-33.03	393.36	10.30	-22.73
COC1=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011087985	0	52	0.0	-37.91	391.79	8.76	-29.15
CC1=CC=CC2=C(NC3CCCC4=C3N(C(C)C)N=C4)C(C(=O)[O-])=C[NH+]=C12	REAL300011087986	0	51	0.0	-34.74	380.20	10.22	-24.52
CC(C)N1N=CC2=C1C(NC1=C(C(=O)[O-])C=[NH+]C3=CC4=C(C=C31)OCO4)CCC2	REAL300011087987	0	51	0.0	-35.43	388.41	8.12	-27.31
CC(C)N1N=CC2=C1C(NC1=CC=C(C(=O)[O-])N=N1)CCC2	REAL300011087988	0	40	-1.0	-50.47	325.04	7.09	-43.38
CC(C)N1N=CC2=C1C(NC1=NC=C(C(=O)[O-])C=N1)CCC2	REAL300011087989	0	40	-1.0	-42.40	326.98	8.91	-33.49
CC(C)N1N=CC2=C1C(NC1=CC=[NH+]C=C1C(=O)[O-])CCC2	REAL300011087990	0	42	0.0	-46.27	327.26	7.97	-38.30
CC(C)N1N=CC2=C1C(NC1=NC=CC(C(=O)[O-])=C1[N+](=O)[O-])CCC2	REAL300011087991	0	43	-1.0	-50.92	358.56	9.90	-41.02
CC(C)N1N=CC2=C1C(NC1=NC=NC=C1C(=O)[O-])CCC2	REAL300011087992	0	40	-1.0	-42.85	320.27	8.52	-34.33
CC(C)N1N=CC2=C1C(NC1=CC=C(CC(=O)[O-])C=C1[N+](=O)[O-])CCC2	REAL300011087993	0	47	-1.0	-46.88	376.23	10.58	-36.30
CC1=C(C(=O)[O-])C(NC2CCCC3=C2N(C(C)C)N=C3)=NC2=CC=CC=C21	REAL300011087994	0	50	-1.0	-52.52	394.07	11.39	-41.13
CC1=CC(NC2CCCC3=C2N(C(C)C)N=C3)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011087995	0	47	-1.0	-48.79	375.99	10.62	-38.17
CC(C)N1N=CC2=C1C(NC1=NC(C(=O)[O-])=CC=C1[N+](=O)[O-])CCC2	REAL300011087996	0	43	-1.0	-42.49	358.34	9.43	-33.06
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NC2CCCC3=C2N(C(C)C)N=C3)=N1	REAL300011087997	0	46	-1.0	-50.91	380.16	10.52	-40.39
CC(C)N1N=CC2=C1C(NC1=NC=C(C(=O)[O-])C=N1)CCC2	REAL300011087998	0	40	-1.0	-42.40	326.98	8.91	-33.49
CC(C)N1N=CC2=C1C(NC1=NC=C(C(=O)[O-])C=C1[N+](=O)[O-])CCC2	REAL300011087999	0	43	-1.0	-40.42	357.34	9.43	-30.99
CC(C)N1N=CC2=C1C(NC1=NC=C(C(=O)[O-])S1)CCC2	REAL300011088000	0	38	-1.0	-47.66	323.10	7.63	-40.03
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261164	0	44	-1.0	-48.80	352.34	9.48	-39.32
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261165	0	42	-1.0	-47.15	356.60	8.54	-38.61
COC1=CC=C([C@@H]2CN(C3=CC=C(C(C)=O)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261166	0	47	-1.0	-51.16	387.49	10.42	-40.74
COC1=CC=C([C@@H]2CN(C3=CC=C(N)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261167	0	44	-1.0	-50.82	362.50	7.90	-42.92
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261168	0	41	-1.0	-46.03	345.83	8.20	-37.83
COC1=CC=C([C@@H]2CN(C3=NN=NN3C3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261169	0	45	-1.0	-45.41	367.57	9.79	-35.62
COC1=CC=C([C@@H]2CN(C3=NC(C)=CN=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261170	0	44	-1.0	-49.45	348.97	7.09	-42.36
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261171	0	42	-1.0	-47.55	347.74	8.89	-38.66
COC1=CC=C([C@@H]2CN(C3=CC=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261172	0	42	-1.0	-50.94	347.37	10.02	-40.92
COC1=CC=C([C@@H]2CN(C3=C4C(C)=C(C)SC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261173	0	47	-1.0	-48.76	386.16	10.89	-37.87
COC1=CC=C([C@@H]2CN(C3=C4C(=NC=N3)SC3=C4CCC3)C[C@H]2C(=O)[O-])C=C1	REAL300011261174	0	48	-1.0	-49.77	395.46	10.55	-39.22
COC1=CC=C([C@@H]2CN(C3=C4C=CSC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261175	0	41	-1.0	-50.01	350.47	8.52	-41.49
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261176	0	45	-1.0	-51.98	363.02	9.72	-42.26
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261177	0	41	-1.0	-55.05	341.50	9.26	-45.79
COC1=CC=C([C@@H]2CN(C3=NC4=CC(C)=CC=C4C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261178	0	51	-1.0	-53.72	402.89	11.03	-42.69
COC1=CC=C([C@@H]2CN(C3=[NH+]C4=CC(C)=CC=C4C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261178	1	52	0.0	-49.34	403.35	10.82	-38.52
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261179	0	48	-1.0	-52.91	380.93	10.26	-42.65
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC4=NC=NN43)C[C@H]2C(=O)[O-])C=C1	REAL300011261180	0	44	-1.0	-56.98	359.21	12.16	-44.82
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261181	0	42	-1.0	-52.79	352.57	8.45	-44.34
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])N=CN3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261182	0	42	-1.0	-62.83	342.70	9.79	-53.04
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])N4C=CSC4=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261183	0	42	-1.0	-56.27	369.27	10.55	-45.72
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])N4C=CC=CC4=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261184	0	45	-1.0	-58.86	378.90	11.33	-47.53
COC1=CC=C([C@@H]2CN(C3=NC=CC(OC)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261185	0	42	-1.0	-50.40	344.89	6.15	-44.25
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261186	0	41	-1.0	-49.93	346.00	8.48	-41.45
COC1=CC=C([C@@H]2CN(C3=NN4C=NN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261187	0	41	-1.0	-47.66	341.42	10.06	-37.60
COC1=CC=C([C@@H]2CN(C3=CC=C(N4N=C(C)C=C4C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261188	0	51	-1.0	-51.82	413.22	9.92	-41.90
COC1=CC=C([C@@H]2CN(C3=NN4C(C)=NN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261189	0	44	-1.0	-45.85	362.52	9.85	-36.00
COC1=CC=C([C@@H]2CN(C3=NN4N=NN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261190	0	40	-1.0	-48.10	336.76	6.94	-41.16
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261191	0	45	-1.0	-45.77	365.66	9.44	-36.33
COC1=CC=C([C@@H]2CN(C3=C4C=NN(C)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261192	0	44	-1.0	-48.72	358.81	8.17	-40.55
COC1=CC=C([C@@H]2CN(C3=NC=NC4=NNC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261193	0	41	-1.0	-51.87	337.07	7.21	-44.66
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261194	0	49	0.0	-58.80	378.80	9.54	-49.26
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261195	0	42	-1.0	-54.24	346.06	5.59	-48.65
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261196	0	44	-1.0	-54.78	355.46	7.07	-47.71
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C4=CC=CN=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261197	0	47	-1.0	-56.24	386.93	9.32	-46.92
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC=C4)=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261198	0	46	-1.0	-53.98	384.55	9.85	-44.13
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=C(F)C=C4)=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261199	0	46	-1.0	-52.78	390.94	9.92	-42.86
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261200	0	44	-1.0	-52.62	352.71	7.36	-45.26
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261200	1	45	0.0	-59.46	358.22	8.32	-51.14
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261201	0	44	-1.0	-55.13	355.17	8.71	-46.42
COC1=CC=C([C@@H]2CN(C3=NC=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261202	0	41	-1.0	-50.90	353.24	8.76	-42.14
CCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)N=CN=C2S1	REAL300011261203	0	47	-1.0	-47.36	387.87	10.16	-37.20
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261204	0	47	-1.0	-50.80	373.65	8.48	-42.32
COC1=CC=C([C@@H]2CN(C3=CC(C)=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261205	0	45	-1.0	-61.05	366.77	10.65	-50.40
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261206	0	45	-1.0	-47.05	360.93	9.38	-37.67
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261207	0	43	-1.0	-50.74	349.75	9.03	-41.71
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261208	0	46	0.0	-67.95	364.45	9.41	-58.54
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261209	0	48	-1.0	-52.05	378.31	10.54	-41.51
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])C=C(C(C)=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261210	0	44	-1.0	-57.28	381.68	9.35	-47.93
COC1=CC=C([C@@H]2CN(C3=CC(C)=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261211	0	42	-1.0	-50.36	339.02	8.37	-41.99
COC1=CC=C([C@@H]2CN(C3=CC(C)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261211	1	43	0.0	-51.14	341.52	8.49	-42.65
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261212	0	42	-1.0	-48.58	354.95	8.54	-40.04
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261212	1	43	0.0	-54.35	359.32	8.83	-45.52
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])C(C)=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261213	0	45	-1.0	-44.89	365.56	7.80	-37.09
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C=C3C(C)=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261214	0	47	-1.0	-56.64	386.71	10.47	-46.17
COC1=CC=C([C@@H]2CN(C3=CC=C(C)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261215	0	45	-1.0	-49.94	368.78	10.69	-39.25
COC1=CC=C([C@@H]2CN(C3=CC(C)=C([N+](=O)[O-])C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261216	0	44	-1.0	-46.06	362.03	8.87	-37.19
COC1=CC=C([C@@H]2CN(C3=CC=CC(OC)=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261217	0	46	-1.0	-65.36	379.84	8.51	-56.85
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261218	0	42	-1.0	-50.46	357.23	8.69	-41.77
COC1=CC=C([C@@H]2CN(C3=NC(OC)=CC(OC)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261219	0	46	-1.0	-47.79	377.80	4.27	-43.52
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261220	0	42	-1.0	-50.46	357.23	8.69	-41.77
COC1=CC=C([C@@H]2CN(C3=CC=C(C)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261221	0	45	-1.0	-49.94	368.78	10.69	-39.25
COC1=CC=C([C@@H]2CN(C3=CC=C(C(C)=O)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261222	0	47	-1.0	-51.16	387.49	10.42	-40.74
COC1=CC=C([C@@H]2CN(C3=NC=CC(C)=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261223	0	44	-1.0	-58.95	365.35	9.15	-49.80
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(OC)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261224	0	46	-1.0	-50.28	375.93	8.98	-41.30
COC1=CC=C([C@@H]2CN(C3=CC=CC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261225	0	42	-1.0	-50.75	339.12	8.29	-42.46
COC1=CC=C([C@@H]2CN(C3=CC=CC(C)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261225	1	43	0.0	-54.08	339.34	8.07	-46.01
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])C=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261226	0	39	-1.0	-53.84	338.50	8.79	-45.05
CCCC1=NC2=NC=NN2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261227	0	50	-1.0	-54.74	401.00	14.05	-40.69
COC1=CC=C([C@@H]2CN(C3=CC(C(C)C)=NC4=NC=NN43)C[C@H]2C(=O)[O-])C=C1	REAL300011261228	0	50	-1.0	-56.22	399.08	13.74	-42.48
CCC1=NC2=NC=NN2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261229	0	47	-1.0	-56.79	379.24	13.20	-43.59
COC1=CC=C([C@@H]2CN(C3=NC=C([N+](=O)[O-])C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261230	0	44	-1.0	-45.14	360.80	9.06	-36.08
COC1=CC=C([C@@H]2CN(C3=CC=C(C(C)=O)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261231	0	44	-1.0	-50.15	358.68	8.10	-42.05
COC1=CC=C([C@@H]2CN(C3=C4SC=C(C)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261232	0	44	-1.0	-49.40	367.51	9.24	-40.16
COC1=CC=C([C@@H]2CN(C3=C4C(C)=CSC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261233	0	44	-1.0	-48.88	367.11	10.22	-38.66
COC1=CC=C([C@@H]2CN(C3=C4C=COC4=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261234	0	42	-1.0	-51.77	342.01	7.91	-43.86
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3S(N)(=O)=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261235	0	44	-1.0	-60.30	369.70	3.09	-57.21
COC1=CC=C([C@@H]2CN(C3=NC=C([N+](=O)[O-])C(N)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261236	0	42	-1.0	-45.74	351.48	7.27	-38.47
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC=C4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261237	0	45	-1.0	-49.18	373.74	7.21	-41.97
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261238	0	44	-1.0	-48.19	370.98	7.77	-40.42
COC1=CC=C([C@@H]2CN(C3=NN=NN3C3=CC=C(C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261239	0	48	-1.0	-49.99	394.67	10.63	-39.36
COC1=CC=C([C@@H]2CN(C3=NC(C)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261240	0	38	-1.0	-47.61	323.15	6.32	-41.29
COC1=CC=C([C@@H]2CN(C3=NC4=CC=C([N+](=O)[O-])C=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261241	0	47	-1.0	-49.41	391.68	10.50	-38.91
COC1=CC=C([C@@H]2CN(C3=CN=CC(N4C=CC=N4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261242	0	45	-1.0	-49.01	372.32	7.80	-41.21
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC4=C(OC)C=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261243	0	52	-1.0	-51.16	407.09	8.55	-42.61
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C4=C(OC)C=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261243	1	53	0.0	-48.45	409.18	9.00	-39.45
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261244	0	43	0.0	-56.01	339.98	8.56	-47.45
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261244	1	42	-1.0	-50.89	340.38	8.34	-42.55
COC1=CC=C([C@@H]2CN(C3=NC=C(C)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261245	0	44	-1.0	-53.76	363.74	9.99	-43.77
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261246	0	41	-1.0	-55.05	341.50	9.26	-45.79
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C4=CC=CN=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261247	0	50	-1.0	-56.85	405.36	8.85	-48.00
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])C4=CC=CN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261248	0	47	-1.0	-60.35	390.55	9.62	-50.73
COC1=CC=C([C@@H]2CN(C3=CC=C(N4C=CC(C)=N4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261249	0	48	-1.0	-51.16	395.33	9.27	-41.89
COC1=CC=C([C@@H]2CN(C3=CC(N)=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261250	0	44	-1.0	-67.17	361.81	7.85	-59.32
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(C(C)=O)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261251	0	47	-1.0	-51.30	388.70	9.23	-42.07
COC1=CC=C([C@@H]2CN(C3=NC=C([N+](=O)[O-])C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261252	0	40	-1.0	-47.73	340.41	8.15	-39.58
COC1=CC=C([C@@H]2CN(C3=C4C=NN(C)C4=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261253	0	47	-1.0	-48.74	380.62	8.12	-40.62
COC1=CC=C([C@@H]2CN(C3=NC4=CC=C(OC)C=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261254	0	49	-1.0	-51.39	392.40	9.02	-42.37
COC1=CC=C([C@@H]2CN(C3=CN=CC(OCC(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261255	0	51	-1.0	-46.52	407.28	6.78	-39.74
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=C(C)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261256	0	47	-1.0	-50.91	380.03	10.36	-40.55
COC1=CC=C([C@@H]2CN(C3=NN=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261257	0	38	-1.0	-46.76	310.48	5.93	-40.83
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3C3=NC(C)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261258	0	47	-1.0	-54.93	388.86	7.67	-47.26
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261259	0	39	-1.0	-48.24	340.95	8.19	-40.05
COC1=CC=C([C@@H]2CN(C3=NC4=C(C(=O)NC(=O)N4C)N3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261260	0	49	-1.0	-47.18	396.53	7.50	-39.68
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261261	0	41	-1.0	-47.91	333.31	8.01	-39.90
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261261	1	42	0.0	-61.84	336.55	8.45	-53.39
COC1=CC=C([C@@H]2CN(C3=CC(C(C)C)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261262	0	47	-1.0	-47.62	372.01	9.23	-38.39
COC1=CC=C([C@@H]2CN(C3=CN=CC(N4C=NC=N4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261263	0	44	-1.0	-48.02	368.11	9.17	-38.85
COC1=CC=C([C@@H]2CN(C3=NC4=NC=CN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261264	0	43	-1.0	-53.92	352.81	6.86	-47.06
COC1=CC=C([C@@H]2CN(C3=CC=C(N4C=CN=C4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261265	0	45	-1.0	-52.87	370.84	9.88	-42.99
COC1=CC=C([C@@H]2CN(C3=NC=C(S(N)(=O)=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261266	0	41	-1.0	-54.64	363.33	1.02	-53.62
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC(Cl)=C4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261267	0	45	-1.0	-47.37	390.48	7.72	-39.65
COC1=CC=C([C@@H]2CN(C3=NC4=NNC=C4C(=O)N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261268	0	42	-1.0	-49.85	350.22	7.89	-41.96
COC1=CC=C([C@@H]2CN(C3=NC4=C(C=NN4)C(=O)N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261268	1	42	-1.0	-45.85	350.28	7.69	-38.16
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC=C4)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261269	0	45	-1.0	-47.39	381.87	9.57	-37.82
COC1=CC=C([C@@H]2CN(C3=NC=CN4C(C)=NN=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261270	0	44	-1.0	-57.45	360.34	9.93	-47.52
COC1=CC=C([C@@H]2CN(C3=NC4=C(C=NN4C)C(=O)N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261271	0	45	-1.0	-45.55	372.87	8.91	-36.64
COC1=CC=C([C@@H]2CN(C3=C4N=CN(C)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261272	0	44	-1.0	-56.39	360.26	9.81	-46.58
CCN1C=NC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)N=CN=C21	REAL300011261273	0	47	-1.0	-59.03	381.81	10.64	-48.39
COC1=CC=C([C@@H]2CN(C3=NC=NC4=C3CCC4)C[C@H]2C(=O)[O-])C=C1	REAL300011261274	0	45	-1.0	-49.27	352.95	9.08	-40.19
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N4CCOCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261275	0	52	0.0	-66.67	399.81	7.51	-59.16
COC1=CC=C([C@@H]2CN(C3=NC=CC(N4CCOCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261275	1	51	-1.0	-55.32	398.54	7.11	-48.21
COC1=CC=C([C@@H]2CN(C3=CC(N4CCOCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261276	0	52	0.0	-50.50	402.22	7.61	-42.89
COC1=CC=C([C@@H]2CN(C3=CC(N4CCOCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261276	1	52	0.0	-56.75	400.06	7.78	-48.97
COC1=CC=C([C@@H]2CN(C3=CC=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261277	0	41	-1.0	-48.23	333.47	7.33	-40.90
CNS(=O)(=O)C1=CC=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)N=C1	REAL300011261278	0	47	-1.0	-51.73	394.28	3.83	-47.90
COC1=CC=C([C@@H]2CN(C3=CC=NC(C4=CC=CC=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261279	0	48	-1.0	-50.10	391.15	10.65	-39.45
COC1=CC=C([C@@H]2CN(C3=NC=CN(C)C3=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261280	0	42	-1.0	-58.80	342.17	7.63	-51.17
CCN1C=CN=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1=O	REAL300011261281	0	45	-1.0	-59.70	364.38	8.62	-51.08
COC1=CC=C([C@@H]2CN(C3=CC=C(C4=NC(C)=NO4)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261282	0	47	-1.0	-49.12	389.90	7.03	-42.09
COC1=CC=C([C@@H]2CN(C3=NC=CC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261283	0	41	-1.0	-52.73	334.27	8.28	-44.45
COC1=CC=C([C@@H]2CN(C3=NC(C(C)(C)C)=NC(C)=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261284	0	56	-1.0	-48.78	427.15	10.60	-38.18
CCC1=NN=C2C=CC(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)=NN21	REAL300011261285	0	47	-1.0	-48.07	384.91	10.51	-37.56
COC1=CC=C([C@@H]2CN(C3=NN4C(=NN=C4C4CC4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261286	0	48	-1.0	-46.30	393.91	11.37	-34.93
COC1=CC=C([C@@H]2CN(C3=CC=NC4=C(OC)C=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261287	0	49	-1.0	-50.77	385.51	7.94	-42.83
CCCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300011261288	0	55	0.0	-55.16	423.84	11.20	-43.96
CCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)C=C[NH+]=C2C=C1	REAL300011261289	0	52	0.0	-55.00	402.34	10.42	-44.58
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=CC(C)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261290	0	47	-1.0	-48.73	372.24	11.93	-36.80
COC1=CC=C([C@@H]2CN(C3=NC=C(C)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261291	0	41	-1.0	-54.38	333.29	8.15	-46.23
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C4=CC=CC=N4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261292	0	50	-1.0	-54.57	408.73	9.38	-45.19
COC1=CC=C([C@@H]2CN(C3=C4C(C)=NOC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261293	0	43	-1.0	-45.10	347.22	6.36	-38.74
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261294	0	51	0.0	-60.76	393.47	9.20	-51.56
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261294	1	51	0.0	-48.98	394.82	9.18	-39.80
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCCC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261295	0	54	0.0	-56.11	409.32	10.26	-45.85
COC1=CC=C([C@@H]2CN(C3=CC(N4CCCCC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261295	1	54	0.0	-48.29	411.14	10.07	-38.22
COC1=CC=C([C@@H]2CN(C3=NC(C(C)C)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261296	0	44	-1.0	-47.33	356.80	5.22	-42.11
COC1=CC=C([C@@H]2CN(C3=CC=NC(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261297	0	47	-1.0	-52.10	376.14	8.53	-43.57
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261297	1	48	0.0	-63.10	376.28	8.88	-54.22
COC1=CC=C([C@@H]2CN(C3=C4C=C(C)SC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261298	0	44	-1.0	-47.73	366.37	9.38	-38.35
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N4CCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261299	0	51	0.0	-55.08	395.16	9.69	-45.39
COC1=CC=C([C@@H]2CN(C3=NC=CC(N4CCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261299	1	50	-1.0	-55.07	391.05	9.19	-45.88
CCOC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300011261300	0	49	-1.0	-49.96	397.81	9.90	-40.06
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C4CC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261301	0	48	-1.0	-53.60	383.19	9.03	-44.57
COC1=CC=C([C@@H]2CN(C3=CN=CC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261302	0	41	-1.0	-50.77	334.17	6.16	-44.61
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261303	0	44	-1.0	-45.62	363.96	8.80	-36.82
COC1=CC=C([C@@H]2CN(C3=NC4=CC([N+](=O)[O-])=CC=C4N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261304	0	45	-1.0	-47.89	377.15	9.55	-38.34
COC1=CC=C([C@@H]2CN(C3=CC(N4C=CN=C4)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261305	0	45	-1.0	-48.47	370.77	10.95	-37.52
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261306	0	44	-1.0	-59.05	361.11	9.82	-49.23
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C=C3CO)C[C@H]2C(=O)[O-])C=C1	REAL300011261307	0	49	-1.0	-52.13	393.88	7.43	-44.70
COC1=CC=C([C@@H]2CN(C3=C(C)C=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261308	0	45	-1.0	-55.73	347.22	9.57	-46.16
COC1=CC=C([C@@H]2CN(C3=CC(OC)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261309	0	42	-1.0	-48.56	343.96	5.84	-42.72
COC1=CC=C([C@@H]2CN(C3=NC4=CC(C)=CC=C4O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261310	0	45	-1.0	-54.03	367.47	6.26	-47.77
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261311	0	41	-1.0	-48.56	352.35	7.42	-41.14
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261312	0	42	-1.0	-47.15	356.60	8.54	-38.61
COC1=CC=C([C@@H]2CN(C3=CC(NC4CC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261313	0	48	0.0	-60.67	380.85	9.18	-51.49
COC1=CC=C([C@@H]2CN(C3=CC(NC4CC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261313	1	48	0.0	-55.13	379.47	8.96	-46.17
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261314	0	42	-1.0	-48.58	354.95	8.54	-40.04
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261314	1	43	0.0	-54.35	359.32	8.83	-45.52
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC(OC)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261315	0	45	-1.0	-52.80	365.42	6.20	-46.60
COC1=CC=C([C@@H]2CN(C3=C4C(C)=NN(C)C4=NC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261316	0	48	-1.0	-48.25	376.21	8.07	-40.18
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261317	0	47	0.0	-59.01	368.68	10.30	-48.71
COC1=CC=C([C@@H]2CN(C3=CC=NC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261317	1	46	-1.0	-49.39	367.66	9.94	-39.45
COC1=CC=C([C@@H]2CN(C3=NC=C([N+](=O)[O-])C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261318	0	43	-1.0	-45.43	360.18	8.90	-36.53
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(OC)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261319	0	45	-1.0	-58.85	364.33	4.04	-54.81
COC1=CC=C([C@@H]2CN(C3=NC=CN=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261320	0	41	-1.0	-50.48	331.72	6.72	-43.76
COC1=CC=C([C@@H]2CN(C3=NC=NC=C3C3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261321	0	48	-1.0	-49.67	391.44	11.43	-38.24
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261322	0	46	-1.0	-52.59	370.52	10.47	-42.12
COC1=CC=C([C@@H]2CN(C3=CN=CC(C4=CC=CC=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261323	0	48	-1.0	-51.44	389.53	9.18	-42.26
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C(=O)N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261324	0	45	-1.0	-48.45	370.23	10.23	-38.22
COC1=CC=C([C@@H]2CN(C3=CC=NC(C(F)(F)F)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261325	0	42	-1.0	-49.92	353.94	7.43	-42.49
COC1=CC=C([C@@H]2CN(C3=NC=CN4C=NN=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261326	0	41	-1.0	-57.34	338.85	10.16	-47.18
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=NC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261327	0	42	-1.0	-53.79	353.00	7.71	-46.08
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261327	1	43	0.0	-69.40	356.37	8.13	-61.27
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261328	0	44	-1.0	-51.93	373.05	8.76	-43.17
COC1=CC=C([C@@H]2CN(C3=CC=C4C(=O)CCCC4=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261329	0	48	-1.0	-51.79	381.72	9.12	-42.67
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=CC(OC)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261330	0	48	-1.0	-53.68	386.06	9.98	-43.70
CCC1=NSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261331	0	41	-1.0	-47.53	344.64	6.93	-40.60
COC1=CC=C([C@@H]2CN(C3=NC(C(C)C)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261332	0	44	-1.0	-47.69	365.03	7.46	-40.23
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC(C)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261333	0	46	0.0	-46.09	363.46	8.50	-37.59
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC(F)=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261334	0	42	-1.0	-51.76	358.99	8.51	-43.25
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC(C)=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261335	0	45	-1.0	-50.80	374.98	9.49	-41.31
COC1=CC=C([C@@H]2CN(C3=C4N=CN(C5CC5)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261336	0	48	-1.0	-55.47	389.47	11.19	-44.28
COC1=CC=C([C@@H]2CN(C3=CC=NC4=CC=NC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261337	0	44	-1.0	-53.31	356.25	7.15	-46.16
COC1=CC=C([C@@H]2CN(C3=NC=CN4N=NN=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261338	0	40	-1.0	-55.03	334.32	6.94	-48.09
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CN=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261339	0	43	-1.0	-46.40	347.49	7.70	-38.70
COC1=CC=C([C@@H]2CN(C3=NN4N=C(C)N=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261340	0	44	-1.0	-48.23	363.12	9.07	-39.16
COC1=CC=C([C@@H]2CN(C3=NC=CN4N=C(C)C=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261341	0	45	-1.0	-49.58	363.60	8.85	-40.73
COC1=CC=C([C@@H]2CN(C3=C(C)C=[NH+]C4=C(C)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261342	0	52	0.0	-65.07	387.09	10.25	-54.82
COC1=CC=C([C@@H]2CN(C3=NC=CC4=C(OC)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261343	0	49	-1.0	-52.84	390.47	9.51	-43.33
COCC1=NN=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300011261344	0	42	-1.0	-48.58	358.42	5.24	-43.34
COC1=CC=C([C@@H]2CN(C3=C(C)C(C)=NC4=NC=NN43)C[C@H]2C(=O)[O-])C=C1	REAL300011261345	0	47	-1.0	-55.65	366.84	12.50	-43.15
COC1=CC=C([C@@H]2CN(C3=NC=CC(CO)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261346	0	42	-1.0	-51.89	343.53	5.08	-46.81
COC1=CC=C([C@@H]2CN(C3=NN=C(C)C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261347	0	43	-1.0	-52.89	346.39	7.48	-45.41
CCOC1=CN=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261348	0	45	-1.0	-46.80	366.41	5.45	-41.35
COC1=CC=C([C@@H]2CN(C3=CN=CC(OC(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261349	0	48	-1.0	-46.80	385.81	6.22	-40.58
COC1=CC=C([C@@H]2CN(C3=NN=C(C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261350	0	38	-1.0	-48.33	324.75	6.19	-42.14
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261351	0	46	-1.0	-48.99	386.87	10.48	-38.51
COC1=CC=C([C@@H]2CN(C3=CC(NCC4CC4)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261352	0	51	0.0	-58.56	403.92	10.00	-48.56
COC1=CC=C([C@@H]2CN(C3=CC(NCC4CC4)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261352	1	51	0.0	-55.22	400.84	9.30	-45.92
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261353	0	47	0.0	-52.88	370.00	9.62	-43.26
COC1=CC=C([C@@H]2CN(C3=NC=CC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261353	1	46	-1.0	-56.25	366.51	9.23	-47.02
CCC1=NC(C)=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261354	0	47	-1.0	-55.43	375.49	7.97	-47.46
CCC1=[NH+]C(C)=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261354	1	48	0.0	-58.35	378.69	9.06	-49.29
COC1=CC=C([C@@H]2CN(C3=NOC(C4=CC=CC=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261355	0	45	-1.0	-50.55	374.51	8.71	-41.84
CCC1=CC(C)=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261356	0	47	-1.0	-55.45	375.62	9.14	-46.31
COC1=CC=C([C@@H]2CN(C3=CC4=NN=CN4C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261357	0	44	-1.0	-55.42	361.42	11.49	-43.93
COC1=CC=C([C@@H]2CN(C3=NC(C4CC4)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261358	0	42	-1.0	-45.80	354.56	7.96	-37.84
COCCC1=NSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261359	0	45	-1.0	-45.13	378.93	6.04	-39.09
COC1=CC=C([C@@H]2CN(C3=NC=CC(C(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261360	0	50	-1.0	-52.73	392.21	10.27	-42.46
COC1=CC=C([C@@H]2CN(C3=C4C(C)=CSC4=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261361	0	47	-1.0	-49.69	389.86	10.18	-39.51
COC1=CC=C([C@@H]2CN(C3=CC=NC4=CN=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261362	0	44	-1.0	-50.88	350.92	6.75	-44.13
COC1=CC=C([C@@H]2CN(C3=C4C=NN(C)C4=NC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261363	0	45	-1.0	-51.16	359.00	7.03	-44.13
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3S(C)(=O)=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261364	0	45	-1.0	-58.34	376.60	6.63	-51.71
COC1=CC=C([C@@H]2CN(C3=NC(C(F)(F)F)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261365	0	38	-1.0	-46.25	342.27	6.66	-39.59
CCCC1=NSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261366	0	44	-1.0	-47.36	366.14	7.71	-39.65
COC1=CC=C([C@@H]2CN(C3=NC=C(C)C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261367	0	44	-1.0	-55.32	350.38	8.28	-47.04
COC1=CC=C([C@@H]2CN(C3=NC=C(C(F)F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261368	0	41	-1.0	-54.93	346.24	8.41	-46.52
COC1=CC=C([C@@H]2CN(C3=CC=C(C(C)C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261369	0	47	-1.0	-51.67	372.76	8.26	-43.41
COCC1=CC([N+](=O)[O-])=CC=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261370	0	49	-1.0	-47.08	393.69	8.69	-38.39
COC1=CC=C([C@@H]2CN(C3=NC(C)=C(C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261371	0	42	-1.0	-49.84	347.62	7.58	-42.26
COC1=CC=C([C@@H]2CN(C3=CC=NC(C(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261372	0	50	-1.0	-49.08	394.45	9.14	-39.94
COC1=CC=C([C@@H]2CN(C3=NC(C(C)(C)C)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261373	0	47	-1.0	-45.48	384.53	8.15	-37.33
COCC1=NC(C)=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261374	0	48	-1.0	-54.37	386.32	6.32	-48.05
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC(OC)=C4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261375	0	49	-1.0	-50.03	403.23	6.52	-43.51
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(C)=N1	REAL300011261376	0	47	-1.0	-54.88	374.84	8.14	-46.74
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(C)=[NH+]1	REAL300011261376	1	48	0.0	-57.87	379.58	9.07	-48.80
COC1=CC=C([C@@H]2CN(C3=NC(C)=NC(C)=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261377	0	47	-1.0	-48.82	367.01	8.63	-40.19
CNC1=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC2=CC=CC=C21	REAL300011261378	0	49	-1.0	-57.56	392.79	9.85	-47.71
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])C=CC4=C3CCN4)C[C@H]2C(=O)[O-])C=C1	REAL300011261379	0	48	-1.0	-63.50	374.34	8.73	-54.77
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C(N)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261380	0	46	-1.0	-57.40	370.82	8.67	-48.73
COC1=CC=C([C@@H]2CN(C3=NC=NC4=C3CCCC4)C[C@H]2C(=O)[O-])C=C1	REAL300011261381	0	48	-1.0	-49.82	375.12	10.11	-39.71
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261382	0	52	-1.0	-57.06	414.21	9.81	-47.25
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(N4CCCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261383	0	54	0.0	-57.02	411.69	10.80	-46.22
COC1=CC=C([C@@H]2CN(C3=CC=NC(N4CCCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261383	1	53	-1.0	-54.55	406.60	9.65	-44.90
COC1=CC=C([C@@H]2CN(C3=CC=NC4=C([N+](=O)[O-])C=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261384	0	47	-1.0	-51.50	382.25	9.64	-41.86
CCC1=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C2=CC=CC=C2[NH+]=C1C	REAL300011261385	0	55	0.0	-56.10	412.81	11.00	-45.10
COC1=CC=C([C@@H]2CN(C3=C4C(=NC5=C4C=CC=C5)NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261386	0	48	-1.0	-59.41	395.38	11.82	-47.59
COC1=CC=C([C@@H]2CN(C3=NC=NC4=C3C3=C(C=CC=C3)N4)C[C@H]2C(=O)[O-])C=C1	REAL300011261386	1	48	-1.0	-53.07	391.75	10.49	-42.58
COC1=CC=C([C@@H]2CN(C3=[NH+]C=NC4=C3C3=C(C=CC=C3)N4)C[C@H]2C(=O)[O-])C=C1	REAL300011261386	1	49	0.0	-47.25	385.21	10.61	-36.64
COC1=CC=C([C@@H]2CN(C3=NN4C(=NN=C4C(F)F)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261387	0	44	-1.0	-49.05	376.56	10.04	-39.01
CCOC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC=N1	REAL300011261388	0	45	-1.0	-48.57	365.81	6.79	-41.78
COC1=CC=C([C@@H]2CN(C3=CC=NC(CC4=CC=CC=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261389	0	51	-1.0	-49.29	415.58	11.05	-38.24
CCCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261390	0	55	0.0	-60.28	428.70	11.49	-48.79
CCC1=[NH+]C2=CC=CC=C2C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300011261391	0	52	0.0	-60.44	407.21	10.71	-49.73
COC1=CC=C([C@@H]2CN(C3=CC(C(C)(C)C)=NC(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261392	0	59	-1.0	-48.43	454.69	11.10	-37.33
COC1=CC=C([C@@H]2CN(C3=CC(C(C)C)=NC(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261393	0	56	-1.0	-48.29	435.37	10.37	-37.92
COC1=CC=C([C@@H]2CN(C3=NC(C(F)(F)F)=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261394	0	39	-1.0	-47.46	347.64	7.29	-40.17
COC1=CC=C([C@@H]2CN(C3=NC=CC(OC4=CC=CC=C4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261395	0	49	-1.0	-51.98	404.36	9.77	-42.21
COCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(C(C)(C)C)=N1	REAL300011261396	0	57	-1.0	-49.59	447.56	9.22	-40.37
COC1=CC=C([C@@H]2CN(C3=NC=NC(N4C=CC=N4)=C3N)C[C@H]2C(=O)[O-])C=C1	REAL300011261397	0	47	-1.0	-50.51	377.81	8.25	-42.26
COC1=CC=C([C@@H]2CN(C3=NN=C(C4=CC=CC=N4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261398	0	44	-1.0	-51.21	378.43	7.29	-43.92
COC1=CC=C([C@@H]2CN(C3=NN=C(C(F)F)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261399	0	38	-1.0	-46.92	337.50	6.45	-40.47
COC1=CC=C([C@@H]2CN(C3=NN=C(C4=NOC=C4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261400	0	41	-1.0	-50.98	359.91	6.46	-44.52
COC1=CC=C([C@@H]2CN(C3=C(C)C=NC4=C(OC)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261401	0	52	-1.0	-52.86	397.28	8.51	-44.35
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=CC([N+](=O)[O-])=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261402	0	46	-1.0	-60.36	380.16	12.41	-47.95
COC1=CC=C([C@@H]2CN(C3=NC(C)=NC4=C3CCCC4)C[C@H]2C(=O)[O-])C=C1	REAL300011261403	0	51	-1.0	-50.04	395.99	10.07	-39.97
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=C(C)C=C4)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300011261404	0	48	-1.0	-47.33	394.59	8.12	-39.21
COC1=CC=C(C2=NOC(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)=N2)C=C1	REAL300011261405	0	49	-1.0	-48.69	403.25	6.53	-42.16
COC1=CC=C([C@@H]2CN(C3=NC(C)=C(S(N)(=O)=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261406	0	44	-1.0	-50.31	381.24	2.05	-48.26
CCOC1=CC=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011261407	0	49	-1.0	-66.78	395.04	9.18	-57.60
COC1=CC=C([C@@H]2CN(C3=CC(NCC(C)O)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261408	0	51	0.0	-61.87	403.80	5.84	-56.03
COC1=CC=C([C@@H]2CN(C3=CC(NCC(C)O)=NC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261408	1	51	0.0	-57.12	401.74	5.17	-51.95
COC1=CC=C([C@@H]2CN(C3=CC=CC(OC(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261409	0	49	-1.0	-49.62	391.69	8.28	-41.34
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261410	0	45	-1.0	-45.77	365.66	9.44	-36.33
COC1=CC=C([C@@H]2CN(C3=NC=C(C4=CC=CC=C4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261411	0	46	-1.0	-49.99	386.07	10.12	-39.87
CCC(=O)C1=CC=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300011261412	0	50	-1.0	-51.25	410.02	11.32	-39.93
COC1=CC=C([C@@H]2CN(C3=NC=CN=C3OC(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300011261413	0	48	-1.0	-55.44	374.47	5.67	-49.77
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261414	0	47	-1.0	-61.66	388.93	11.29	-50.37
COC1=CC=C([C@@H]2CN(C3=[NH+]C(C)=CC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261415	0	49	0.0	-51.58	378.86	10.66	-40.92
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261415	1	48	-1.0	-51.26	373.98	9.46	-41.80
COC1=CC=C([C@@H]2CN(C3=C(C)C(C)=[NH+]C4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261416	0	52	0.0	-56.45	393.24	10.33	-46.12
CCOC1=NC=CN=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261417	0	45	-1.0	-55.05	354.39	4.75	-50.30
COC1=CC=C([C@@H]2CN(C3=CN=CC(OC4CCCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261418	0	55	-1.0	-47.02	428.14	8.30	-38.72
CCC1=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C2C=CSC2=N1	REAL300011261419	0	47	-1.0	-49.11	388.53	9.18	-39.93
CCOC1=C2C=CC=CC2=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300011261420	0	51	-1.0	-56.54	412.26	8.18	-48.36
COC1=CC=C([C@@H]2CN(C3=NC=CC4=C([N+](=O)[O-])C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261421	0	47	-1.0	-52.19	389.06	10.75	-41.44
COC1=CC=C([C@@H]2CN(C3=NN4C(=NN=C4C(C)(C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261422	0	53	-1.0	-48.10	423.20	11.57	-36.53
COC1=CC=C([C@@H]2CN(C3=C4C=NN(C(C)(C)C)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261423	0	53	-1.0	-49.44	417.53	10.16	-39.28
COC1=CC=C([C@@H]2CN(C3=NN4C(=NN=C4C4CC4C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261424	0	51	-1.0	-48.58	413.29	11.94	-36.64
COC1=CC=C([C@@H]2CN(C3=NC4=CC=C(OC)C=C4N=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261425	0	51	-1.0	-50.30	403.12	7.86	-42.44
COC1=CC=C([C@@H]2CN(C3=CC(OC(C)C)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261426	0	48	-1.0	-48.87	385.93	7.70	-41.17
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C4=CC=CS4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261427	0	48	-1.0	-55.95	402.04	9.51	-46.44
COCC1=NSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261428	0	42	-1.0	-49.29	356.81	5.30	-43.99
CCC1=NN(C)C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300011261429	0	48	-1.0	-46.84	388.24	8.52	-38.32
CCN1N=C(C)C([N+](=O)[O-])=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261430	0	48	-1.0	-53.64	386.01	8.56	-45.08
COC1=CC=C([C@@H]2CN(C3=NC=NC4=NC(N)=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261431	0	45	-1.0	-50.36	362.34	7.27	-43.09
CCCCNC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(N)=[NH+]1	REAL300011261432	0	55	0.0	-58.20	429.73	9.25	-48.95
CCCCNC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=[NH+]C(N)=N1	REAL300011261432	1	55	0.0	-46.04	429.79	9.03	-37.01
COC1=CC=C([C@@H]2CN(C3=NC(C4CCCC4)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261433	0	48	-1.0	-47.74	387.86	8.71	-39.03
COC1=CC=C([C@@H]2CN(C3=NC(C4CCCCC4)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261434	0	51	-1.0	-47.54	406.65	9.35	-38.19
COC1=CC=C([C@@H]2CN(C3=NC(C(C)C)=NC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261435	0	54	-1.0	-52.60	425.99	12.19	-40.41
COC1=CC=C([C@@H]2CN(C3=NC(C(C)C)=[NH+]C(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261435	1	55	0.0	-57.12	424.23	12.62	-44.50
COC1=CC=C([C@@H]2CN(C3=[NH+]C(C(C)C)=NC(N(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261435	1	55	0.0	-53.20	425.98	12.69	-40.51
COC1=CC=C([C@@H]2CN(C3=CC(N4C=CC=N4)=NC(N)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261436	0	48	0.0	-53.01	388.51	8.91	-44.10
COC1=CC=C([C@@H]2CN(C3=CN=CC(OCC4CCCC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261437	0	55	-1.0	-46.93	431.77	8.18	-38.75
COC1=CC=C([C@@H]2CN(C3=NC=CC(C4=CN=CC=N4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261438	0	46	-1.0	-54.49	381.99	7.89	-46.60
COCC1=NC(OC)=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261439	0	49	-1.0	-49.78	399.45	4.76	-45.02
COC1=CC=C([C@@H]2CN(C3=NC=CC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261440	0	47	-1.0	-61.85	380.41	9.51	-52.34
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=C([N+](=O)[O-])C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261440	1	48	0.0	-56.62	387.52	10.81	-45.81
COC1=CC=C([C@@H]2CN(C3=CC=C(S(C)(=O)=O)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261441	0	45	-1.0	-54.32	378.36	5.20	-49.12
CCC1=CC(CC)=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261442	0	50	-1.0	-57.10	398.09	9.96	-47.14
COC1=CC=C([C@@H]2CN(C3=NOC(C(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261443	0	47	-1.0	-51.59	376.38	7.34	-44.25
COC1=CC=C([C@@H]2CN(C3=NC=CC4=CC([N+](=O)[O-])=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261444	0	47	-1.0	-50.77	391.77	10.85	-39.92
CCN1C(C)=NC([N+](=O)[O-])=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261445	0	48	-1.0	-62.65	384.08	9.98	-52.67
CCC1=NN=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)N=C1CC	REAL300011261446	0	49	-1.0	-55.41	386.09	8.51	-46.90
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C4=CN=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261447	0	47	-1.0	-45.12	381.19	9.21	-35.91
COC1=CC=C([C@@H]2CN(C3=CC=C(S(C)(=O)=O)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261448	0	46	-1.0	-57.20	380.21	5.74	-51.46
COC1=CC=C([C@@H]2CN(C3=CC=CC=C3S(C)(=O)=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261449	0	46	-1.0	-61.53	376.05	6.80	-54.73
COC1=CC=C([C@@H]2CN(C3=NN4C=C(C)N=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261450	0	42	-1.0	-47.75	361.43	9.44	-38.31
COC1=CC=C([C@@H]2CN(C3=NN4C(=NC(C)=CC4=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261451	0	44	-1.0	-55.25	381.21	8.78	-46.47
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261452	0	41	-1.0	-46.03	345.83	8.20	-37.83
COC1=CC=C([C@@H]2CN(C3=C([N+](=O)[O-])N=C(C)N3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261453	0	45	-1.0	-62.70	361.53	9.00	-53.70
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261454	0	44	-1.0	-52.62	352.71	7.36	-45.26
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261454	1	45	0.0	-59.46	358.22	8.32	-51.14
COC1=CC=C([C@@H]2CN(C3=NC4=CC=C([N+](=O)[O-])C=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261455	0	44	-1.0	-46.62	382.83	9.53	-37.09
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261456	0	42	-1.0	-54.24	346.06	5.59	-48.65
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261457	0	42	-1.0	-52.79	352.57	8.45	-44.34
COC1=CC=C([C@@H]2CN(C3=CC(OC)=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261458	0	46	-1.0	-62.82	376.22	9.28	-53.54
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261459	0	44	-1.0	-54.78	355.46	7.07	-47.71
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4N=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261460	0	47	-1.0	-50.80	373.65	8.48	-42.32
COC1=CC=C([C@@H]2CN(C3=CC(C)=C([N+](=O)[O-])C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261461	0	44	-1.0	-46.06	362.03	8.87	-37.19
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261462	0	48	-1.0	-52.05	378.31	10.54	-41.51
COC1=CC=C([C@@H]2CN(C3=NN=C(C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261463	0	38	-1.0	-48.33	324.75	6.19	-42.14
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261464	0	41	-1.0	-55.05	341.50	9.26	-45.79
COC1=CC=C([C@@H]2CN(C3=NN=C(C4CC4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261465	0	42	-1.0	-50.84	354.30	7.53	-43.31
COC1=CC=C([C@@H]2CN(C3=NN=C(C(C)(C)C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261466	0	47	-1.0	-48.01	385.28	8.03	-39.98
CCCC1=NN=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300011261467	0	44	-1.0	-47.49	367.74	7.72	-39.77
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261468	0	44	-1.0	-55.13	355.17	8.71	-46.42
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261469	0	41	-1.0	-48.56	352.35	7.42	-41.14
COC1=CC=C([C@@H]2CN(C3=CC=C(C)C=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261470	0	45	-1.0	-49.94	368.78	10.69	-39.25
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3C(F)(F)F)C[C@H]2C(=O)[O-])C=C1	REAL300011261471	0	42	-1.0	-56.11	354.17	9.00	-47.11
COC1=CC=C([C@@H]2CN(C3=NN=C(C4=CC=CC=C4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261472	0	45	-1.0	-49.04	382.79	9.15	-39.89
COC1=CC=C([C@@H]2CN(C3=CN=CC4=NC=NN43)C[C@H]2C(=O)[O-])C=C1	REAL300011261473	0	41	-1.0	-49.83	337.31	9.18	-40.65
COC1=CC=C([C@@H]2CN(C3=NC(C4=CC=CC=C4)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261474	0	45	-1.0	-47.39	381.87	9.57	-37.82
COC1=CC=C([C@@H]2CN(C3=NC=C(C(C)C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261475	0	45	-1.0	-50.49	368.50	8.19	-42.30
COC1=CC=C([C@@H]2CN(C3=NC(C(F)(F)F)=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261476	0	39	-1.0	-47.46	347.64	7.29	-40.17
COC1=CC=C([C@@H]2CN(C3=NC=C(C4=CC=CC=C4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261477	0	46	-1.0	-49.99	386.07	10.12	-39.87
COC1=CC=C([C@@H]2CN(C3=CC=NC(C(C)(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261478	0	50	-1.0	-49.08	394.45	9.14	-39.94
COC1=CC=C([C@@H]2CN(C3=NN=C(CC4=CC=CC=C4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261479	0	48	-1.0	-48.48	406.14	9.96	-38.52
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261480	0	43	0.0	-64.02	339.00	7.44	-56.58
COC1=CC=C([C@@H]2CN(C3=NN=C(C(F)(F)F)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261481	0	38	-1.0	-43.07	344.19	6.60	-36.47
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261482	0	42	-1.0	-47.15	356.60	8.54	-38.61
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261483	0	43	0.0	-64.02	339.00	7.44	-56.58
COC1=CC=C([C@@H]2CN(C3=NN=C(C4CC4)O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261484	0	42	-1.0	-48.83	346.35	3.47	-45.36
COC1=CC=C([C@@H]2CN(C3=CC=C([N+](=O)[O-])C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261485	0	44	-1.0	-45.62	363.96	8.80	-36.82
COC1=CC=C([C@@H]2CN(C3=NC(C)=NS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261486	0	38	-1.0	-47.61	323.15	6.32	-41.29
COC1=CC=C([C@@H]2CN(C3=NC=C([N+](=O)[O-])S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261487	0	38	-1.0	-45.61	335.41	6.89	-38.72
CCS(=O)(=O)C1=CC=C(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300011261488	0	49	-1.0	-56.16	401.68	6.65	-49.51
CCS(=O)(=O)C1=CC=CC=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261489	0	49	-1.0	-50.50	398.45	7.77	-42.73
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261490	0	43	0.0	-65.87	333.22	7.71	-58.16
COC1=CC=C([C@@H]2CN(C3=NC=C(C(F)(F)F)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261491	0	39	-1.0	-46.45	345.71	7.20	-39.25
COC1=CC=C([C@@H]2CN(C3=C(C)C=CC=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261492	0	45	-1.0	-55.73	347.22	9.57	-46.16
COC1=CC=C([C@@H]2CN(C3=NN=C(C(F)F)O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261493	0	38	-1.0	-48.07	328.74	2.18	-45.89
COC1=CC=C([C@@H]2CN(C3=C4C=NN(C)C4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261494	0	44	-1.0	-48.72	358.81	8.17	-40.55
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261495	0	41	-1.0	-49.93	346.00	8.48	-41.45
COC1=CC=C([C@@H]2CN(C3=NN=C(C4CC4)O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261496	0	42	-1.0	-48.83	346.35	3.47	-45.36
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261497	0	42	-1.0	-48.58	354.95	8.54	-40.04
COC1=CC=C([C@@H]2CN(C3=CC(C(F)(F)F)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261497	1	43	0.0	-54.35	359.32	8.83	-45.52
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261498	0	42	-1.0	-50.46	357.23	8.69	-41.77
COC1=CC=C([C@@H]2CN(C3=CC([N+](=O)[O-])=CC=C3C(C)=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261499	0	47	-1.0	-61.57	386.62	10.47	-51.10
CCCC1=NSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261500	0	44	-1.0	-47.36	366.14	7.71	-39.65
COC1=CC=C([C@@H]2CN(C3=CC=CC(C)=C3[N+](=O)[O-])C[C@H]2C(=O)[O-])C=C1	REAL300011261501	0	45	-1.0	-50.09	365.31	9.68	-40.41
COC1=CC=C([C@@H]2CN(C3=NC(C(F)(F)F)=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261502	0	39	-1.0	-47.46	347.64	7.29	-40.17
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261503	0	41	-1.0	-48.56	352.35	7.42	-41.14
COC1=CC=C([C@@H]2CN(C3=NN=C(C(C)C)O3)C[C@H]2C(=O)[O-])C=C1	REAL300011261504	0	44	-1.0	-48.12	357.98	3.28	-44.84
COC1=CC=C([C@@H]2CN(C3=NC(C(C)=O)=C(C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300011261505	0	44	-1.0	-46.09	368.69	7.62	-38.47
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=CC=[NH+]1	REAL300011261506	0	46	0.0	-63.72	360.43	8.16	-55.56
COC1=CC=C([C@@H]2CN(C3=CN=CC(OCCO)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261507	0	46	-1.0	-49.32	377.05	2.18	-47.14
COC1=CC=C([C@@H]2CN(C3=CC=C(C#N)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261508	0	40	-1.0	-49.44	334.01	6.56	-42.88
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=CC(F)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261509	0	44	-1.0	-52.81	363.29	10.42	-42.39
COC1=CC=C([C@@H]2CN(C3=CC=C(Cl)C(C#N)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261510	0	40	-1.0	-47.01	353.11	8.27	-38.74
COC1=CC=C([C@@H]2CN(C3=NC=NC=C3Br)C[C@H]2C(=O)[O-])C=C1	REAL300011261511	0	38	-1.0	-48.40	332.01	8.20	-40.20
COC1=CC=C([C@@H]2CN(C3=NC=C(Cl)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261512	0	38	-1.0	-50.21	328.22	7.63	-42.58
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC=C3C#N)C[C@H]2C(=O)[O-])C=C1	REAL300011261513	0	43	-1.0	-56.84	350.99	7.12	-49.72
COC1=CC=C([C@@H]2CN(C3=CC=C(C#N)C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261514	0	43	-1.0	-47.28	356.82	8.42	-38.86
CCC1=NC=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=C1F	REAL300011261515	0	44	-1.0	-47.53	358.66	8.83	-38.70
COC1=CC=C([C@@H]2CN(C3=NC(OC)=NC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300011261516	0	42	-1.0	-48.55	356.12	4.84	-43.71
COC1=CC=C([C@@H]2CN(C3=NC=C(F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261517	0	38	-1.0	-50.28	317.86	7.22	-43.06
COC1=CC=C([C@@H]2CN(C3=CC=NC=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300011261518	0	39	-1.0	-49.63	325.83	6.88	-42.75
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3Cl)C[C@H]2C(=O)[O-])C=C1	REAL300011261518	1	40	0.0	-70.09	329.20	7.34	-62.75
COC1=CC=C([C@@H]2CN(C3=CC=CC(C#N)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261519	0	40	-1.0	-50.48	337.78	7.86	-42.62
COC1=CC=C([C@@H]2CN(C3=CC=C(F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261520	0	39	-1.0	-47.80	323.91	7.61	-40.19
COC1=CC=C([C@@H]2CN(C3=CC=C(C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261521	0	41	-1.0	-50.78	333.47	6.96	-43.82
CCC1=CC2=C(N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)N=C(C)N=C2S1	REAL300011261522	0	50	-1.0	-52.25	400.95	9.17	-43.08
COC1=CC=C([C@@H]2CN(C3=NC4=CC=CC=C4C(C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261523	0	47	-1.0	-57.16	377.19	10.33	-46.83
COC1=CC=C([C@@H]2CN(C3=CC(C(C)(C)C)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261524	0	50	-1.0	-47.74	392.00	10.09	-37.65
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C(CO)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261525	0	44	0.0	-69.11	348.22	4.26	-64.85
COC1=CC=C([C@@H]2CN(C3=CC(C)=CN=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261526	0	41	-1.0	-50.34	333.25	7.01	-43.33
COC1=CC=C([C@@H]2CN(C3=CC(CO)=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261527	0	43	-1.0	-53.06	350.37	5.01	-48.05
COC1=CC=C([C@@H]2CN(C3=CC(CO)=CC=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261527	1	44	0.0	-52.50	352.88	5.13	-47.37
COC1=CC=C([C@@H]2CN(C3=NC=NC=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261528	0	41	-1.0	-49.70	331.82	8.35	-41.35
COC1=CC=C([C@@H]2CN(C3=NC=CC4=NC=CN=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261529	0	43	-1.0	-58.25	345.82	6.20	-52.05
COC1=CC=C([C@@H]2CN(C3=NC=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261530	0	43	-1.0	-55.43	344.28	7.04	-48.39
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261530	1	44	0.0	-63.37	343.66	7.29	-56.08
COC1=CC=C([C@@H]2CN(C3=NC=CC4=C3N=CNC4=O)C[C@H]2C(=O)[O-])C=C1	REAL300011261531	0	44	-1.0	-55.79	360.90	6.82	-48.97
COC1=CC=C([C@@H]2CN(C3=NC=CC4=CC=C(C)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261532	0	48	-1.0	-51.86	373.81	9.50	-42.36
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=C(C)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261532	1	49	0.0	-46.65	380.84	10.80	-35.85
COC1=CC=C([C@@H]2CN(C3=NC=C(C)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261533	0	41	-1.0	-54.38	333.29	8.15	-46.23
COC1=CC=C([C@@H]2CN(C3=NC=CC4=C(C)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261534	0	48	-1.0	-53.69	381.69	10.72	-42.97
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=C(C)C=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261534	1	49	0.0	-46.12	377.43	10.68	-35.44
CCCCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC=N1	REAL300011261535	0	50	-1.0	-47.54	397.13	10.36	-37.18
COCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC=N1	REAL300011261536	0	45	-1.0	-49.78	364.86	7.21	-42.57
COC1=CC=C([C@@H]2CN(C3=CC=C(C)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261537	0	41	-1.0	-50.78	333.47	6.96	-43.82
COC1=CC=C([C@@H]2CN(C3=CC=C(OC(F)F)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261538	0	43	-1.0	-52.21	356.89	7.19	-45.02
COC1=CC=C([C@@H]2CN(C3=NC=CC4=CC=CC(C)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261539	0	48	-1.0	-51.19	376.12	12.14	-39.05
COC1=CC=C([C@@H]2CN(C3=[NH+]C=CC4=CC=CC(C)=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261539	1	49	0.0	-57.70	379.59	12.64	-45.06
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(C)O)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261540	0	46	-1.0	-50.33	368.09	5.97	-44.36
COC1=CC=C([C@@H]2CN(C3=CC=CC(C(C)O)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261540	1	47	0.0	-58.47	368.63	5.92	-52.55
COC1=CC=C([C@@H]2CN(C3=NC=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300011261541	0	36	-1.0	-48.40	307.23	6.45	-41.95
COC1=CC=C([C@@H]2CN(C3=NC4=NC=CC=C4C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261542	0	43	-1.0	-61.31	353.52	8.91	-52.40
CCOC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC(C)=N1	REAL300011261543	0	48	-1.0	-48.08	388.38	6.84	-41.24
COC1=CC=C([C@@H]2CN(C3=NC4=C(C)C(Cl)=CC=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261544	0	48	-1.0	-51.33	397.60	11.08	-40.25
COC1=CC=C([C@@H]2CN(C3=CC(C4CC4)=NC(C4CC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261545	0	52	-1.0	-49.05	413.97	11.05	-38.00
COC1=CC=C([C@@H]2CN(C3=C4C=CNC4=NC(C4CC4)=[NH+]3)C[C@H]2C(=O)[O-])C=C1	REAL300011261546	0	50	0.0	-49.40	389.85	10.04	-39.36
COC1=CC=C([C@@H]2CN(C3=NC(C)=CC(C(C)C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261547	0	50	-1.0	-55.12	393.47	9.57	-45.55
COC1=CC=C([C@@H]2CN(C3=NC=CC(C4=CC=NN4C)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261548	0	48	-1.0	-56.90	390.00	9.08	-47.82
CCC1=CSC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261549	0	42	-1.0	-48.31	349.77	7.43	-40.88
COC1=CC=C([C@@H]2CN(C3=CC=[NH+]C=C3CO)C[C@H]2C(=O)[O-])C=C1	REAL300011261550	0	44	0.0	-62.86	341.97	4.28	-58.58
COC1=CC=C([C@@H]2CN(C3=NC=NC(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261551	0	45	-1.0	-48.74	361.78	7.54	-41.20
COC1=CC=C([C@@H]2CN(C3=NC=[NH+]C(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261551	1	46	0.0	-65.49	368.39	7.91	-57.58
COC1=CC=C([C@@H]2CN(C3=NC=NC4=CC=C(C(C)C)C=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261552	0	53	-1.0	-51.25	418.89	11.63	-39.62
COC1=CC=C([C@@H]2CN(C3=NC(C4CC4)=NC(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261553	0	52	-1.0	-51.23	417.40	9.00	-42.23
COC1=CC=C([C@@H]2CN(C3=NC(C4CC4)=[NH+]C(C)=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300011261553	1	53	0.0	-62.95	403.18	8.84	-54.11
COC1=CC=C([C@@H]2CN(C3=NC=CN=C3C3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261554	0	48	-1.0	-51.67	382.19	10.15	-41.52
COC1=CC=C([C@@H]2CN(C3=CC=CC4=NN=CN43)C[C@H]2C(=O)[O-])C=C1	REAL300011261555	0	42	-1.0	-46.02	337.54	11.03	-34.99
COC1=CC=C([C@@H]2CN(C3=NC=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261556	0	39	-1.0	-46.28	318.32	8.31	-37.97
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=NC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261557	0	42	-1.0	-53.79	353.00	7.71	-46.08
COC1=CC=C([C@@H]2CN(C3=C4SC=CC4=[NH+]C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261557	1	43	0.0	-69.40	356.37	8.13	-61.27
CCC1=CC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC=N1	REAL300011261558	0	44	-1.0	-47.69	354.13	8.79	-38.90
CNS(=O)(=O)C1=CC=CC=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261559	0	48	-1.0	-54.55	395.36	5.15	-49.40
COC1=CC=C([C@@H]2CN(C3=NC=CN4C=CN=C34)C[C@H]2C(=O)[O-])C=C1	REAL300011261560	0	42	-1.0	-54.28	343.65	9.62	-44.66
COC1=CC=C([C@@H]2CN(C3=C4C=CSC4=CC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261561	0	42	-1.0	-49.88	350.04	8.93	-40.95
COC1=CC=C([C@@H]2CN(C3=CC=C(C(F)(F)F)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261562	0	42	-1.0	-46.38	353.63	7.36	-39.02
COC1=CC=C([C@@H]2CN(C3=CC=CN=C3C(F)(F)F)C[C@H]2C(=O)[O-])C=C1	REAL300011261563	0	42	-1.0	-56.34	354.09	8.24	-48.10
COC1=CC=C([C@@H]2CN(C3=NN=NN3CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300011261564	0	48	-1.0	-47.14	395.90	9.80	-37.34
COC1=CC=C([C@@H]2CN(C3=CC(C)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261565	0	41	-1.0	-47.91	333.31	8.01	-39.90
COC1=CC=C([C@@H]2CN(C3=CC(C)=[NH+]C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261565	1	42	0.0	-61.84	336.55	8.45	-53.39
COC1=CC=C([C@@H]2CN(C3=CC(C4CC4)=NC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300011261566	0	45	-1.0	-48.14	361.61	9.42	-38.72
COC1=CC=C([C@@H]2CN(C3=NC=C(C(F)(F)F)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300011261567	0	45	-1.0	-46.34	371.57	9.40	-36.94
COC1=CC=C([C@@H]2CN(C3=NC=CC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300011261568	0	45	-1.0	-52.27	357.18	9.81	-42.46
CCOC1=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=NC=C1C	REAL300011261569	0	48	-1.0	-50.69	387.05	7.81	-42.88
CCOC1=CC=NC(N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300011261570	0	45	-1.0	-50.34	366.74	7.08	-43.26
CCNC1=NC=CN=C1N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300011261571	0	46	-1.0	-50.74	368.86	6.89	-43.85
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)C=N1)CC2	REAL300011261572	0	35	-1.0	-50.65	290.29	7.74	-42.91
CS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C([N+](=O)[O-])=C1	REAL300011261573	0	41	-1.0	-69.64	329.45	5.15	-64.49
CC(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C([N+](=O)[O-])=C1	REAL300011261574	0	40	-1.0	-70.43	306.75	7.79	-62.64
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])CC2	REAL300011261575	0	38	-1.0	-61.12	307.49	8.63	-52.49
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)CC2	REAL300011261576	0	38	-1.0	-42.58	314.96	8.76	-33.82
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])CC2	REAL300011261577	0	38	-1.0	-61.12	307.49	8.63	-52.49
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C(=N1)SC1=C2CCC1	REAL300011261578	0	44	-1.0	-54.77	351.83	9.67	-45.10
O=C([O-])C12CCCC1N(C1=C3C(=NC=N1)SC1=C3CCCC1)CC2	REAL300011261579	0	44	-1.0	-53.72	343.56	11.18	-42.54
O=C([O-])C12CCCC1N(C1=C3C(C4=CC=CC=C4)=CSC3=NC=N1)CC2	REAL300011261580	0	44	-1.0	-53.40	353.45	12.29	-41.11
CC1=C(C)C2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C2S1	REAL300011261581	0	40	-1.0	-46.97	307.96	9.13	-37.84
O=C([O-])C12CCCC1N(C1=C3C(=NC=N1)SC1=C3CCC1)CC2	REAL300011261582	0	41	-1.0	-54.06	329.98	9.71	-44.35
CC1CCC2=C(C1)SC1=NC=NC(N3CCC4(C(=O)[O-])CCCC34)=C12	REAL300011261583	0	47	-1.0	-53.52	362.55	11.58	-41.94
O=C([O-])C12CCCC1N(C1=C3C=C(C4=CC=CC=C4)SC3=NC=N1)CC2	REAL300011261584	0	44	-1.0	-52.33	356.35	11.36	-40.97
CC1=CC=C(C2=CSC3=NC=NC(N4CCC5(C(=O)[O-])CCCC45)=C23)C=C1	REAL300011261585	0	47	-1.0	-53.25	374.80	12.95	-40.30
COC1=CC=C(C2=CSC3=NC=NC(N4CCC5(C(=O)[O-])CCCC45)=C23)C=C1	REAL300011261586	0	48	-1.0	-53.42	382.90	11.59	-41.83
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300011261587	0	47	-1.0	-49.50	373.73	10.41	-39.09
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CS3)=NC3=CC=CC=C31)CC2	REAL300011261588	0	44	-1.0	-49.73	354.56	10.36	-39.37
O=C([O-])C12CCCC1N(C1=CC=C(C(=O)C3=CC=CC=C3)C=C1[N+](=O)[O-])CC2	REAL300011261589	0	47	-1.0	-66.61	362.79	10.79	-55.82
CC1=C(C)C2=C(N3CCC4(C(=O)[O-])CCCC34)N=C(C3=CC=CN=C3)N=C2S1	REAL300011261590	0	49	-1.0	-48.94	385.77	10.87	-38.07
CNS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C([N+](=O)[O-])=C1	REAL300011261591	0	43	-1.0	-66.74	345.36	3.80	-62.94
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)N3CCOCC3)C=N1)CC2	REAL300011261592	0	48	-1.0	-57.34	379.98	4.32	-53.02
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)N3CCCCC3)C=N1)CC2	REAL300011261593	0	50	-1.0	-55.20	388.69	6.74	-48.46
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)N3CCCC3)C=N1)CC2	REAL300011261594	0	47	-1.0	-57.51	373.41	5.88	-51.63
CN1CCN(S(=O)(=O)C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)CC1	REAL300011261595	0	52	-1.0	-56.77	405.02	4.22	-52.55
CCN(CC)S(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261596	0	49	-1.0	-54.73	388.36	6.46	-48.27
CC(C)N(C(C)C)S(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261597	0	55	-1.0	-54.56	415.18	7.62	-46.94
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300011261598	0	47	-1.0	-54.20	375.23	12.23	-41.97
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C(C3=CC=CS3)=CSC2=N1	REAL300011261599	0	44	-1.0	-52.96	365.24	11.72	-41.24
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC=C3)=NC3=CC=CC=C31)CC2	REAL300011261600	0	47	-1.0	-62.80	372.11	12.10	-50.70
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CN=C3)=NC3=CC=CC=C31)CC2	REAL300011261601	0	46	-1.0	-65.15	367.08	10.32	-54.83
CC1=CC2=NC(N3CCC4(C(=O)[O-])CCCC34)=CC(C)=C2C=C1	REAL300011261602	0	44	-1.0	-60.14	336.78	10.12	-50.02
CC1=CC2=[NH+]C(N3CCC4(C(=O)[O-])CCCC34)=CC(C)=C2C=C1	REAL300011261602	1	45	0.0	-43.06	339.56	10.24	-32.82
O=C([O-])C12CCCC1N(C1=C3SC(C4=CC=C(Cl)C=C4)=CC3=NC=N1)CC2	REAL300011261603	0	44	-1.0	-44.56	365.53	10.96	-33.60
O=C([O-])C12CCCC1N(C1=CC(C3=CC=CC=C3)=NC3=NC=NN31)CC2	REAL300011261604	0	44	-1.0	-49.58	345.30	14.25	-35.33
O=C([O-])C12CCCC1N(C1=NC(C(F)(F)F)=NC3=CC=CC=C31)CC2	REAL300011261605	0	40	-1.0	-60.93	333.45	9.20	-51.73
CS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C([N+](=O)[O-])=C1	REAL300011261606	0	41	-1.0	-69.64	329.45	5.15	-64.49
O=C([O-])C12CCCC1N(C1=NC3=CC=CC=C3C(C3=CC=CC=C3)=N1)CC2	REAL300011261607	0	47	-1.0	-60.30	367.37	12.24	-48.06
CC1=NN2C(=C1)N=C(N1CCC3(C(=O)[O-])CCCC13)C1=CC=CC=C12	REAL300011261608	0	44	-1.0	-47.95	336.63	10.63	-37.32
O=C([O-])C12CCCC1N(C1=C([N+](=O)[O-])N3C=CSC3=N1)CC2	REAL300011261609	0	35	-1.0	-56.31	302.84	9.67	-46.64
O=C([O-])C12CCCC1N(C1=C([N+](=O)[O-])N3C=CC=CC3=N1)CC2	REAL300011261610	0	38	-1.0	-58.33	314.13	10.42	-47.91
CC1=CC(C)=NN1C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=N1	REAL300011261611	0	44	-1.0	-57.03	348.06	8.96	-48.07
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C(F)(F)F)C=C1)CC2	REAL300011261612	0	37	-1.0	-58.27	314.11	9.07	-49.20
O=C([O-])C12CCCC1N(C1=C3C=NN(C4=CC=CC=C4)C3=NC=N1)CC2	REAL300011261613	0	44	-1.0	-53.64	349.97	10.81	-42.83
CN(C)C1=CC(C(F)(F)F)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261614	0	42	-1.0	-54.26	341.53	9.39	-44.87
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=NC3=CC=CC=C31)CC2	REAL300011261615	0	41	-1.0	-52.52	335.43	9.16	-43.36
O=C([O-])C12CCCC1N(C1=NC(C3=CC=NC=C3)=NC3=CC=CC=C31)CC2	REAL300011261616	0	46	-1.0	-45.08	351.87	9.03	-36.05
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC=C3)=CS1)CC2	REAL300011261617	0	39	-1.0	-58.99	321.67	9.14	-49.85
O=C([O-])C12CCCC1N(C1=NC(C3=CC=C(F)C=C3)=CS1)CC2	REAL300011261618	0	39	-1.0	-56.94	328.16	9.21	-47.73
O=C([O-])C12CCCC1N(C1=NC=CC(C(F)(F)F)=N1)CC2	REAL300011261619	0	34	-1.0	-49.25	286.04	7.70	-41.55
CCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C2S1	REAL300011261620	0	40	-1.0	-52.02	322.43	9.29	-42.73
O=C([O-])C12CCCC1N(C1=CC=NC3=CC(C(F)(F)F)=CC=C31)CC2	REAL300011261621	0	41	-1.0	-46.13	334.46	9.13	-37.00
O=C([O-])C12CCCC1N(C1=CC=[NH+]C3=CC(C(F)(F)F)=CC=C31)CC2	REAL300011261621	1	42	0.0	-52.54	330.77	8.99	-43.55
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)CC2	REAL300011261622	0	38	-1.0	-42.58	314.96	8.76	-33.82
COC1=CC2=NC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C(N)=C2C=C1OC	REAL300011261623	0	48	0.0	-61.19	365.82	7.51	-53.68
COC1=CC2=NC(N3CCC4(C(=O)[O-])CCCC34)=NC(N)=C2C=C1OC	REAL300011261623	1	47	-1.0	-56.00	364.36	7.02	-48.98
CC(=O)C1=CC([N+](=O)[O-])=C(N2CCC3(C(=O)[O-])CCCC23)S1	REAL300011261624	0	37	-1.0	-41.31	317.98	8.47	-32.84
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=N1)CC2	REAL300011261625	0	35	-1.0	-49.71	289.60	7.12	-42.59
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261625	1	36	0.0	-50.01	288.26	7.87	-42.14
O=C([O-])C12CCCC1N(C1=CC=CC(C(F)(F)F)=N1)CC2	REAL300011261626	0	35	-1.0	-56.40	291.27	7.71	-48.69
O=C([O-])C12CCCC1N(C1=CC=CC(C(F)(F)F)=N1)CC2	REAL300011261627	0	35	-1.0	-56.40	291.27	7.71	-48.69
CN(C)S(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261628	0	43	-1.0	-55.27	347.17	4.74	-50.53
COC1=CC(N2CCC3(C(=O)[O-])CCCC23)=CC=C1[N+](=O)[O-]	REAL300011261629	0	39	-1.0	-48.01	311.11	8.09	-39.92
CCCC1=NC2=NC=NN2C(N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300011261630	0	43	-1.0	-46.70	331.76	12.79	-33.91
CC(C)C1=NC2=NC=NN2C(N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300011261631	0	43	-1.0	-46.55	330.09	12.58	-33.97
CCC1=NC2=NC=NN2C(N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300011261632	0	40	-1.0	-46.97	310.24	12.04	-34.93
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=NC3=NC=NN31)CC2	REAL300011261633	0	37	-1.0	-45.40	309.09	11.71	-33.69
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300011261634	0	40	-1.0	-46.17	331.58	11.37	-34.80
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C(CC(C)C)=CSC2=N1	REAL300011261635	0	49	-1.0	-54.82	376.90	11.02	-43.80
CCC(CC)NS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261636	0	52	-1.0	-55.01	407.60	5.87	-49.14
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)NCC3CC3)C=N1)CC2	REAL300011261637	0	47	-1.0	-54.71	380.70	5.33	-49.38
CCCC(C)NS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261638	0	52	-1.0	-54.31	408.57	5.91	-48.40
CC(C)CCNS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261639	0	52	-1.0	-55.21	409.70	5.82	-49.39
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C3=CC=CC=C3)C=C1)CC2	REAL300011261640	0	44	-1.0	-57.24	355.48	12.01	-45.23
CC1=CSC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C12	REAL300011261641	0	37	-1.0	-48.92	301.04	7.98	-40.94
CC1=CSC2=NC=NC(N3CCC4(C(=O)[O-])CCCC34)=C12	REAL300011261642	0	37	-1.0	-53.51	301.93	9.35	-44.16
O=C([O-])C12CCCC1N(C1=C3NC=NC3=NC(C(F)(F)F)=N1)CC2	REAL300011261643	0	37	-1.0	-60.26	310.55	7.58	-52.68
O=C([O-])C12CCCC1N(C1=C3N=CNC3=NC(C(F)(F)F)=N1)CC2	REAL300011261643	1	37	-1.0	-57.60	312.33	7.73	-49.87
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=CC(C(F)(F)F)=N1	REAL300011261644	0	37	-1.0	-47.85	308.08	7.54	-40.31
O=C([O-])C12CCCC1N(C1=NC3=CC=C([N+](=O)[O-])C=C3C=C1)CC2	REAL300011261645	0	40	-1.0	-54.29	325.18	9.59	-44.70
COC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C(C)N=C12	REAL300011261646	0	45	-1.0	-52.28	346.32	8.09	-44.19
COC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C(C)[NH+]=C12	REAL300011261646	1	46	0.0	-45.39	348.41	8.54	-36.85
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=CN=C2)=N1	REAL300011261647	0	43	-1.0	-47.92	341.46	8.01	-39.91
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300011261648	0	46	-1.0	-53.24	375.67	11.13	-42.11
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300011261648	1	47	0.0	-65.73	376.45	11.45	-54.28
CC1=NN(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=N2)C=C1	REAL300011261649	0	41	-1.0	-57.25	329.25	8.36	-48.89
CC(=O)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=CC=C1[N+](=O)[O-]	REAL300011261650	0	40	-1.0	-48.29	320.42	9.47	-38.82
CC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C=NN(C)C2=N1	REAL300011261651	0	40	-1.0	-52.35	314.39	7.33	-45.02
COC1=CC2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2C=C1	REAL300011261652	0	42	-1.0	-56.70	326.54	8.22	-48.48
CCC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300011261653	0	49	-1.0	-52.82	396.49	11.93	-40.89
CC(C)COC1=CN=CC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261654	0	44	-1.0	-50.31	341.62	6.01	-44.30
CN1C(N2CCC3(C(=O)[O-])CCCC23)=NC2=C1C(=O)NC(=O)N2C	REAL300011261655	0	42	-1.0	-51.52	331.02	6.29	-45.23
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C3=CC=CC=C3F)C=C1)CC2	REAL300011261656	0	44	-1.0	-58.32	359.34	12.18	-46.14
O=C([O-])C12CCCC1N(C1=CN=CC(N3C=NC=N3)=N1)CC2	REAL300011261657	0	37	-1.0	-46.13	298.30	8.05	-38.08
O=C([O-])C12CCCC1N(C1=C3C(=NC(C4CC4)=N1)SC1=C3CCCC1)CC2	REAL300011261658	0	51	-1.0	-56.42	395.15	12.71	-43.71
NS(=O)(=O)C1=CN=C(N2CCC3(C(=O)[O-])CCCC23)S1	REAL300011261659	0	34	-1.0	-50.87	290.08	-0.20	-51.07
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC(Cl)=C3)=NO1)CC2	REAL300011261660	0	38	-1.0	-47.93	325.15	6.92	-41.01
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC=C3)=NS1)CC2	REAL300011261661	0	38	-1.0	-47.43	315.91	8.69	-38.74
CN1N=CC2=C1N=C(N1CCC3(C(=O)[O-])CCCC13)NC2=O	REAL300011261662	0	38	-1.0	-48.94	305.18	7.85	-41.09
CCN1C=NC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C21	REAL300011261663	0	40	-1.0	-53.48	313.89	9.43	-44.05
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CCOCC3)=N1)CC2	REAL300011261664	0	45	0.0	-44.50	335.32	6.31	-38.19
O=C([O-])C12CCCC1N(C1=NC=CC(N3CCOCC3)=N1)CC2	REAL300011261664	1	44	-1.0	-53.22	332.26	6.44	-46.78
O=C([O-])C12CCCC1N(C1=CC(N3CCOCC3)=[NH+]C=N1)CC2	REAL300011261665	0	45	0.0	-55.16	333.35	6.24	-48.92
O=C([O-])C12CCCC1N(C1=CC(N3CCOCC3)=NC=[NH+]1)CC2	REAL300011261665	1	45	0.0	-41.98	336.20	6.70	-35.28
CCOC1=CC2=[NH+]C=CC(N3CCC4(C(=O)[O-])CCCC34)=C2C=C1OCC	REAL300011261666	0	53	0.0	-52.81	394.06	9.10	-43.71
CNS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261667	0	40	-1.0	-55.24	328.18	2.92	-52.32
O=C([O-])C12CCCC1N(C1=CC=NC(C3=CC=CC=C3)=N1)CC2	REAL300011261668	0	41	-1.0	-56.62	325.67	9.86	-46.76
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CN=C3)=NC3=C1CCC3)CC2	REAL300011261669	0	47	-1.0	-60.73	362.82	9.76	-50.97
CC1=NOC(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)=N1	REAL300011261670	0	40	-1.0	-53.45	323.83	6.11	-47.34
CCC1=NN=C2C=CC(N3CCC4(C(=O)[O-])CCCC34)=NN21	REAL300011261671	0	40	-1.0	-56.73	316.10	9.44	-47.29
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C3CC3)C=C1)CC2	REAL300011261672	0	41	-1.0	-54.68	327.17	10.36	-44.32
COC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=CN=C12	REAL300011261673	0	42	-1.0	-52.41	315.15	6.46	-45.95
CCCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261674	0	48	0.0	-52.21	363.50	10.75	-41.46
CCCOC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=CN=C12	REAL300011261675	0	48	-1.0	-51.95	358.50	8.20	-43.75
CCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261676	0	45	0.0	-52.16	342.00	9.97	-42.19
O=C([O-])C12CCCC1N(C1=CC=[NH+]C3=CC=C(OC4=CC=CC=C4)C=C31)CC2	REAL300011261677	0	50	0.0	-54.11	388.83	11.44	-42.67
COC1=CC2=[NH+]C=CC(N3CCC4(C(=O)[O-])CCCC34)=C2C=C1OC	REAL300011261678	0	47	0.0	-53.16	350.35	7.26	-45.90
CC(C)OC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)C=C[NH+]=C2C=C1	REAL300011261679	0	49	0.0	-54.55	368.30	9.41	-45.14
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CCC4(C(=O)[O-])CCCC34)=N2)S1	REAL300011261680	0	47	-1.0	-46.82	370.29	10.48	-36.34
CCC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=NC=C2)=N1	REAL300011261681	0	46	-1.0	-54.50	363.45	9.45	-45.05
CCC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=NC=C2)=[NH+]1	REAL300011261681	1	47	0.0	-58.22	364.77	9.73	-48.49
CCC1=CC(=O)NC(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)=N1	REAL300011261682	0	47	-1.0	-55.25	371.11	8.01	-47.24
O=C([O-])C12CCCC1N(C1=CC(OCC3=CC=CC=C3)=NC=N1)CC2	REAL300011261683	0	45	-1.0	-50.58	360.30	9.03	-41.55
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=CC=N2)=N1	REAL300011261684	0	43	-1.0	-63.72	343.34	8.58	-55.14
O=C([O-])C12CCCC1N(C1=CC(N3CCCC3)=[NH+]C=N1)CC2	REAL300011261685	0	44	0.0	-62.40	320.00	7.54	-54.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCC3)=NC=[NH+]1)CC2	REAL300011261685	1	44	0.0	-41.26	328.38	8.40	-32.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3)=[NH+]C=N1)CC2	REAL300011261686	0	47	0.0	-54.82	342.27	8.69	-46.13
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3)=NC=[NH+]1)CC2	REAL300011261686	1	47	0.0	-41.07	345.24	9.15	-31.92
O=C([O-])C12CCCC1N(C1=CC(N3CCCC(CO)C3)=[NH+]C=N1)CC2	REAL300011261687	0	51	0.0	-57.50	375.20	6.64	-50.86
O=C([O-])C12CCCC1N(C1=CC(N3CCCC(CO)C3)=NC=[NH+]1)CC2	REAL300011261687	1	51	0.0	-54.02	376.32	6.12	-47.90
CC1=C(C)C(=O)NC(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)=N1	REAL300011261688	0	47	-1.0	-56.25	367.00	7.90	-48.35
CC1=C(C)C(=O)[N-]C(C2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C2)=N1	REAL300011261688	1	46	-2.0	-102.29	365.34	6.92	-95.37
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC=N3)=NC3=C1CCC3)CC2	REAL300011261689	0	47	-1.0	-68.32	365.70	9.48	-58.84
CC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C2S1	REAL300011261690	0	37	-1.0	-52.39	300.77	8.51	-43.88
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CCCC3)=N1)CC2	REAL300011261691	0	44	0.0	-41.29	328.49	8.25	-33.04
O=C([O-])C12CCCC1N(C1=NC=CC(N3CCCC3)=N1)CC2	REAL300011261691	1	43	-1.0	-51.93	326.14	8.36	-43.57
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=NC(C3=CC=CN=C3)=N1)CC2	REAL300011261692	0	43	-1.0	-52.67	360.15	9.03	-43.64
CCOC1=CC(N2CCC3(C(=O)[O-])CCCC23)=CC=C1[N+](=O)[O-]	REAL300011261693	0	42	-1.0	-48.17	332.97	9.01	-39.16
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC(OC4=CC=CC=C4)=C3)=NO1)CC2	REAL300011261694	0	49	-1.0	-51.95	397.14	9.25	-42.70
O=C([O-])C12CCCC1N(C1=NC3=CC([N+](=O)[O-])=CC=C3N1)CC2	REAL300011261695	0	38	-1.0	-57.13	311.84	8.82	-48.31
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)N=N1)CC2	REAL300011261696	0	34	-1.0	-55.71	286.97	6.57	-49.14
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)C=N1)CC2	REAL300011261697	0	35	-1.0	-50.65	290.29	7.74	-42.91
COC1=CC=C(C2=CC=NC(N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300011261698	0	45	-1.0	-54.71	353.14	9.72	-44.99
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=N1)CC2	REAL300011261699	0	35	-1.0	-49.71	289.60	7.12	-42.59
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261699	1	36	0.0	-50.01	288.26	7.87	-42.14
CC1=NN(C)C2=NC=CC(N3CCC4(C(=O)[O-])CCCC34)=C12	REAL300011261700	0	41	-1.0	-48.22	319.35	7.66	-40.56
O=C([O-])C12CCCC1N(C1=NC3=C(C=NN3C3=CC=CC=C3)C(=O)N1)CC2	REAL300011261701	0	45	-1.0	-51.34	362.44	11.37	-39.97
O=C([O-])C12CCCC1N(C1=CN=CC(C3=CC=CC=C3)=N1)CC2	REAL300011261702	0	41	-1.0	-58.79	324.64	8.30	-50.49
O=C([O-])C12CCCC1N(C1=CC=NC(C(F)(F)F)=C1)CC2	REAL300011261703	0	35	-1.0	-51.60	291.15	6.71	-44.89
CC1=CC(C(F)(F)F)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261704	0	37	-1.0	-53.59	309.20	8.39	-45.20
O=C([O-])C12CCCC1N(C1=CC=C3C(=O)CCCC3=N1)CC2	REAL300011261705	0	41	-1.0	-52.46	316.81	8.33	-44.13
O=C([O-])C12CCCC1N(C1=NC3=CC=CC(F)=C3S1)CC2	REAL300011261706	0	35	-1.0	-52.80	295.10	7.65	-45.15
CC1=C2SC(N3CCC4(C(=O)[O-])CCCC34)=NC2=CC=C1	REAL300011261707	0	38	-1.0	-51.42	309.04	8.21	-43.21
O=C([O-])C12CCCC1N(C1=C3N=CN(C4CC4)C3=NC=N1)CC2	REAL300011261708	0	41	-1.0	-53.41	321.32	9.90	-43.51
COC1=CC=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CC=C12	REAL300011261709	0	42	-1.0	-47.23	310.67	7.16	-40.07
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=NC(C3=CC=NC=C3)=N1)CC2	REAL300011261710	0	43	-1.0	-49.15	360.90	9.07	-40.08
O=C([O-])C12CCCC1N(C1=NC=NC3=CC=C([N+](=O)[O-])C=C31)CC2	REAL300011261711	0	39	-1.0	-53.70	302.92	8.48	-45.22
O=C([O-])C12CCCC1N(C1=CC(NCC3CC3)=[NH+]C=N1)CC2	REAL300011261712	0	44	0.0	-57.07	337.48	9.09	-47.98
O=C([O-])C12CCCC1N(C1=CC(NCC3CC3)=NC=[NH+]1)CC2	REAL300011261712	1	44	0.0	-45.87	332.78	8.77	-37.10
O=C([O-])C12CCCC1N(C1=CN=CC(OCC3=CC=CC(Cl)=C3)=N1)CC2	REAL300011261713	0	45	-1.0	-47.26	375.85	7.14	-40.12
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC(Cl)=C3)=NC3=C1CCCC3)CC2	REAL300011261714	0	51	-1.0	-58.78	398.21	12.81	-45.97
CC1=CSC2=NC(C)=NC(N3CCC4(C(=O)[O-])CCCC34)=C12	REAL300011261715	0	40	-1.0	-54.22	321.61	9.03	-45.19
O=C([O-])C12CCCC1N(C1=NC(C(F)(F)F)=NS1)CC2	REAL300011261716	0	31	-1.0	-40.69	275.02	5.39	-35.30
O=C([O-])C12CCCC1N(C1=CC(N3CCSCC3)=[NH+]C=N1)CC2	REAL300011261717	0	45	0.0	-56.24	346.32	8.37	-47.87
O=C([O-])C12CCCC1N(C1=CC(N3CCSCC3)=NC=[NH+]1)CC2	REAL300011261717	1	45	0.0	-42.93	344.49	9.04	-33.89
O=C([O-])C12CCCC1N(C1=CN=CC(SCC3=CC=CC=C3)=N1)CC2	REAL300011261718	0	45	-1.0	-51.71	370.83	9.94	-41.77
COC1=CC=CC(C2=NOC(N3CCC4(C(=O)[O-])CCCC34)=N2)=C1	REAL300011261719	0	42	-1.0	-51.82	337.90	5.71	-46.11
CNC1=NC(N2CCC3(C(=O)[O-])CCCC23)=NC2=CC=CC=C21	REAL300011261720	0	42	-1.0	-60.96	326.75	8.93	-52.03
CN(C)C1=NC(N2CCC3(C(=O)[O-])CCCC23)=NC2=CC=CC=C21	REAL300011261721	0	45	-1.0	-57.12	349.37	9.44	-47.68
O=C([O-])C12CCCC1N(C1=CC=[NH+]C(N3CCCCC3)=N1)CC2	REAL300011261722	0	47	0.0	-50.07	343.49	9.12	-40.95
O=C([O-])C12CCCC1N(C1=CC=NC(N3CCCCC3)=N1)CC2	REAL300011261722	1	46	-1.0	-46.43	343.50	8.82	-37.61
CC(C)(C)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C(C)(C)C)=N1	REAL300011261723	0	55	-1.0	-53.11	407.93	11.09	-42.02
CC(C)(C)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C(C)(C)C)=[NH+]1	REAL300011261723	1	56	0.0	-51.19	406.49	11.28	-39.91
COC1=NC(N2CCCCCC2)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261724	0	52	-1.0	-51.87	379.38	6.81	-45.06
O=C([O-])C12CCCC1N(C1=CC=NC3=C([N+](=O)[O-])C=CC=C13)CC2	REAL300011261725	0	40	-1.0	-52.51	314.72	8.64	-43.87
CC1=NN=C2C3=C(C=CC=C3)C(N3CCC4(C(=O)[O-])CCCC34)=NN12	REAL300011261726	0	43	-1.0	-46.92	332.33	10.74	-36.18
O=C([O-])C12CCCC1N(C1=NC=NC3=C1C1=C(C=CC=C1)N3)CC2	REAL300011261727	0	41	-1.0	-55.98	325.97	9.52	-46.46
O=C([O-])C12CCCC1N(C1=C3C(=NC4=C3C=CC=C4)NC=N1)CC2	REAL300011261727	1	41	-1.0	-65.01	324.87	10.69	-54.32
O=C([O-])C12CCCC1N(C1=[NH+]C=NC3=C1C1=C(C=CC=C1)N3)CC2	REAL300011261727	1	42	0.0	-59.94	315.42	8.95	-50.99
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C(F)F)C=C1)CC2	REAL300011261728	0	37	-1.0	-60.55	307.75	8.96	-51.59
O=C([O-])C12CCCC1N(C1=CC=NC(CC3=CC=CC=C3)=N1)CC2	REAL300011261729	0	44	-1.0	-53.93	349.15	10.15	-43.78
CC(C)C1=NC(N2CCC3(C(=O)[O-])CCCC23)=CC(C(C)(C)C)=N1	REAL300011261730	0	52	-1.0	-52.49	389.29	10.31	-42.18
CC(C)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C(C)C)=N1	REAL300011261731	0	49	-1.0	-53.16	370.01	9.57	-43.59
O=C([O-])C12CCCC1N(C1=NC(C(F)(F)F)=CS1)CC2	REAL300011261732	0	32	-1.0	-56.57	283.34	6.35	-50.22
O=C([O-])C12CCCC1N(C1=NC=CC(OC3=CC=CC=C3)=N1)CC2	REAL300011261733	0	42	-1.0	-51.94	338.46	8.88	-43.06
COCC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C(C)(C)C)=N1	REAL300011261734	0	50	-1.0	-52.71	381.53	8.32	-44.39
COC1=CC2=NC=C([N+](=O)[O-])C(N3CCC4(C(=O)[O-])CCCC34)=C2C=C1	REAL300011261735	0	44	-1.0	-38.75	334.01	8.05	-30.70
O=C([O-])C12CCCC1N(C1=NN=C(C3=CC=CC=N3)S1)CC2	REAL300011261736	0	37	-1.0	-57.23	313.03	6.49	-50.74
O=C([O-])C12CCCC1N(C1=NN=C(C3=NOC=C3)S1)CC2	REAL300011261737	0	34	-1.0	-55.95	293.76	5.58	-50.37
CC1=NC2=C(CCCC2)C(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261738	0	44	-1.0	-47.79	318.54	8.34	-39.45
CC1=CC=C(C2=NOC(N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300011261739	0	41	-1.0	-51.72	330.61	7.31	-44.41
COC1=CC=C(C2=NOC(N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300011261740	0	42	-1.0	-49.55	337.86	5.73	-43.82
O=C([O-])C12CCCC1N(C1=CC(S(=O)(=O)N3CCCC3)=CC=N1)CC2	REAL300011261741	0	47	-1.0	-55.53	370.21	5.43	-50.10
CC1=NC2=C([N+](=O)[O-])C=CC=C2C(N2CCC3(C(=O)[O-])CCCC23)=C1	REAL300011261742	0	43	-1.0	-52.74	336.26	9.23	-43.51
CC1=C(S(N)(=O)=O)SC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261743	0	37	-1.0	-55.89	315.54	1.33	-54.56
O=C([O-])C12CCCC1N(C1=NC=CC3=CC(C(F)(F)F)=CC=C31)CC2	REAL300011261744	0	41	-1.0	-46.92	321.01	8.80	-38.12
COC1=CC=C(NC2=CC(N3CCC4(C(=O)[O-])CCCC34)=NC=N2)C(OC)=C1	REAL300011261745	0	51	-1.0	-50.44	391.90	8.67	-41.77
CC(O)CNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC=[NH+]1	REAL300011261746	0	44	0.0	-58.08	338.10	5.03	-53.05
CC(O)CNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C=N1	REAL300011261746	1	44	0.0	-46.33	333.61	4.64	-41.69
CN(C1=CC=CC=C1)C1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC=N1	REAL300011261747	0	46	-1.0	-52.71	359.47	10.81	-41.90
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3CO)=NC=[NH+]1)CC2	REAL300011261748	0	51	0.0	-55.21	369.29	4.72	-50.49
O=C([O-])C12CCCC1N(C1=CC(N3CCCCC3CO)=[NH+]C=N1)CC2	REAL300011261748	1	51	0.0	-53.79	376.17	6.19	-47.60
O=C([O-])C12CCCC1N(C1=NC=C(C3=CC=CC=C3)S1)CC2	REAL300011261749	0	39	-1.0	-48.29	311.45	8.51	-39.78
CCC(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C([N+](=O)[O-])=C1	REAL300011261750	0	43	-1.0	-71.17	331.30	8.90	-62.27
O=C([O-])C12CCCC1N(C1=NC3=CC=CC=C3C=C1[N+](=O)[O-])CC2	REAL300011261751	0	40	-1.0	-57.19	323.90	10.41	-46.78
O=C([O-])C12CCCC1N(C1=CN=CC(OC3CCCCC3)=N1)CC2	REAL300011261752	0	48	-1.0	-46.48	360.96	6.42	-40.06
CCC1=NC(N2CCC3(C(=O)[O-])CCCC23)=C2C=CSC2=N1	REAL300011261753	0	40	-1.0	-53.66	322.06	8.26	-45.40
CCOC1=C2C=CC=CC2=C(N2CCC3(C(=O)[O-])CCCC23)N=N1	REAL300011261754	0	44	-1.0	-63.88	347.27	7.24	-56.64
O=C([O-])C12CCCC1N(C1=NN3C(=NN=C3C3=CSC=C3)C=C1)CC2	REAL300011261755	0	41	-1.0	-58.26	342.13	10.79	-47.47
CC(C)(C)C1=NN=C2C=CC(N3CCC4(C(=O)[O-])CCCC34)=NN21	REAL300011261756	0	46	-1.0	-56.42	354.39	10.50	-45.92
CC(C)(C)N1N=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C21	REAL300011261757	0	46	-1.0	-51.81	351.04	9.32	-42.49
CC1CC1C1=NN=C2C=CC(N3CCC4(C(=O)[O-])CCCC34)=NN21	REAL300011261758	0	44	-1.0	-57.60	344.48	10.86	-46.74
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C(OCC3=CC=CC=C3)=N1)CC2	REAL300011261759	0	48	-1.0	-46.30	383.44	9.90	-36.40
COC1=CC2=NC(C)=C(N3CCC4(C(=O)[O-])CCCC34)N=C2C=C1	REAL300011261760	0	44	-1.0	-56.75	343.14	7.22	-49.53
CC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(C2=CC=CS2)=N1	REAL300011261761	0	41	-1.0	-47.86	338.15	8.66	-39.20
CS(=O)(=O)C1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C2C=C1	REAL300011261762	0	43	-1.0	-48.69	334.21	5.71	-42.98
O=C([O-])C12CCCC1N(C1=C3C=C([N+](=O)[O-])SC3=NC=N1)CC2	REAL300011261763	0	36	-1.0	-46.64	308.93	8.54	-38.10
CCCCNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC(N)=[NH+]1	REAL300011261764	0	48	0.0	-54.28	364.34	8.48	-45.80
CCCCNC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C(N)=N1	REAL300011261764	1	48	0.0	-44.92	363.42	7.81	-37.11
O=C([O-])C12CCCC1N(C1=NC(C3CCCC3)=NS1)CC2	REAL300011261765	0	41	-1.0	-45.52	322.42	7.94	-37.58
O=C([O-])C12CCCC1N(C1=NC(C3CCCCC3)=NS1)CC2	REAL300011261766	0	44	-1.0	-45.27	341.13	8.48	-36.79
CC(C)C1=NC(N(C)C)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261767	0	47	-1.0	-52.63	363.09	11.68	-40.95
CC(C)C1=[NH+]C(N(C)C)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261767	1	48	0.0	-49.06	360.29	12.14	-36.92
NC1=[NH+]C(N2CCC3(C(=O)[O-])CCCC23)=CC(N2C=CC=N2)=N1	REAL300011261768	0	41	0.0	-38.33	325.04	8.37	-29.96
O=C([O-])C12CCCC1N(C1=CN=CC(OCC3CCCC3)=N1)CC2	REAL300011261769	0	48	-1.0	-46.05	365.84	6.28	-39.77
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C(C3=CC=CC=C3)=N1)CC2	REAL300011261770	0	44	-1.0	-45.04	354.93	10.24	-34.80
O=C([O-])C12CCCC1N(C1=NC=CC(C3=CN=CC=N3)=N1)CC2	REAL300011261771	0	39	-1.0	-54.28	315.93	7.01	-47.27
COCC1=NC(OC)=CC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261772	0	42	-1.0	-53.65	334.12	3.97	-49.68
CS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)N=C1	REAL300011261773	0	38	-1.0	-58.09	312.20	4.27	-53.82
CC(C)(C)OC1=CC(N2CCC3(C(=O)[O-])CCCC23)=CC=C1[N+](=O)[O-]	REAL300011261774	0	48	-1.0	-45.35	359.93	9.84	-35.51
O=C([O-])C12CCCC1N(C1=NC=NC3=C1C1=C(C=CC=C1)S3)CC2	REAL300011261775	0	40	-1.0	-54.83	327.47	10.83	-44.00
CC(C)NC1=[NH+]C(NCCO)=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261776	0	51	0.0	-51.95	389.12	8.54	-43.41
CC(C)NC1=NC(NCCO)=[NH+]C(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261776	1	51	0.0	-33.36	391.14	8.10	-25.26
CC(C)NC1=NC(NCCO)=NC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]1	REAL300011261776	1	51	0.0	-47.37	390.89	8.64	-38.73
O=C([O-])C12CCCC1N(C1=NC=CC3=CC([N+](=O)[O-])=CC=C31)CC2	REAL300011261777	0	40	-1.0	-49.68	310.14	8.47	-41.21
CCN1C(C)=NC([N+](=O)[O-])=C1N1CCC2(C(=O)[O-])CCCC12	REAL300011261778	0	41	-1.0	-41.84	311.17	9.31	-32.53
CC(O)C1CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=NC=[NH+]2)C1	REAL300011261779	0	51	0.0	-58.38	375.44	5.74	-52.64
CC(O)C1CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C=N2)C1	REAL300011261779	1	51	0.0	-43.65	378.73	6.41	-37.24
CC(C)C1OCCCC1NC1=CC(N2CCC3(C(=O)[O-])CCCC23)=NC=[NH+]1	REAL300011261780	0	57	0.0	-55.87	413.82	10.26	-45.61
CC(C)C1OCCCC1NC1=CC(N2CCC3(C(=O)[O-])CCCC23)=[NH+]C=N1	REAL300011261780	1	57	0.0	-53.22	407.75	9.02	-44.20
O=C([O-])C12CCCC1N(C1=NC3=CC=C([N+](=O)[O-])C=C3C(=O)N1)CC2	REAL300011261781	0	40	-1.0	-49.13	329.69	9.89	-39.24
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C3=CN=CC=C31)CC2	REAL300011261782	0	40	-1.0	-45.22	313.46	8.19	-37.03
CS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300011261783	0	39	-1.0	-55.41	310.08	4.18	-51.23
CC1=CC(=O)N2N=C(N3CCC4(C(=O)[O-])CCCC34)SC2=N1	REAL300011261784	0	37	-1.0	-53.72	316.93	7.88	-45.84
O=C([O-])C12CCCC1N(C1=NN3C=C(C4=CC=CC=C4)N=C3S1)CC2	REAL300011261785	0	42	-1.0	-49.62	350.53	11.36	-38.26
O=C([O-])C12CCCC1N(C1=NN3C=C(C4=CC=C(F)C=C4)N=C3S1)CC2	REAL300011261786	0	42	-1.0	-48.42	357.47	11.45	-36.97
CS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C(S(C)(=O)=O)=C1	REAL300011261787	0	45	-1.0	-60.33	352.08	2.13	-58.20
O=C([O-])C12CCCC1N(C1=NC3=CC=C([N+](=O)[O-])C=C3S1)CC2	REAL300011261788	0	37	-1.0	-48.53	317.42	8.74	-39.79
NS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C=C1C(F)(F)F	REAL300011261789	0	41	-1.0	-54.57	333.41	3.64	-50.93
CC(C)(C)S(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C=N1	REAL300011261790	0	47	-1.0	-52.57	369.40	5.03	-47.54
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)N=N1)CC2	REAL300011261791	0	34	-1.0	-55.71	286.97	6.57	-49.14
O=C([O-])C12CCCC1N(C1=NN=C(C3=CC=CC=C3)S1)CC2	REAL300011261792	0	38	-1.0	-56.03	317.11	8.33	-47.70
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC=C3)=NS1)CC2	REAL300011261793	0	38	-1.0	-47.43	315.91	8.69	-38.74
O=C([O-])C12CCCC1N(C1=NC(C(F)(F)F)=CS1)CC2	REAL300011261794	0	32	-1.0	-56.57	283.34	6.35	-50.22
O=C([O-])C12CCCC1N(C1=NC=C(C3=CC=CC=C3)S1)CC2	REAL300011261795	0	39	-1.0	-48.29	311.45	8.51	-39.78
O=C([O-])C12CCCC1N(C1=NN3C=C(C4=CC=CN=C4)N=C3S1)CC2	REAL300011261796	0	41	-1.0	-46.86	345.58	9.41	-37.45
O=C([O-])C12CCCC1N(C1=NN=C(CC3=CC=CC=C3)S1)CC2	REAL300011261797	0	41	-1.0	-55.32	340.45	9.14	-46.18
O=C([O-])C12CCCC1N(C1=NN=C(CC3=CC=C(F)C=C3)S1)CC2	REAL300011261798	0	41	-1.0	-55.83	346.87	9.21	-46.62
O=C([O-])C12CCCC1N(C1=NN=C(C(F)(F)F)S1)CC2	REAL300011261799	0	31	-1.0	-49.14	278.51	5.77	-43.37
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)C=N1)CC2	REAL300011261800	0	35	-1.0	-50.65	290.29	7.74	-42.91
O=C([O-])C12CCCC1N(C1=NN=C(CC3=CC=C(Cl)C=C3)S1)CC2	REAL300011261801	0	41	-1.0	-55.16	357.19	9.66	-45.50
CCS(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300011261802	0	42	-1.0	-55.49	331.50	5.09	-50.40
O=C([O-])C12CCCC1N(C1=NC=C(C(F)(F)F)S1)CC2	REAL300011261803	0	32	-1.0	-43.90	274.08	5.99	-37.91
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=N1)CC2	REAL300011261804	0	35	-1.0	-49.71	289.60	7.12	-42.59
O=C([O-])C12CCCC1N(C1=CC(C(F)(F)F)=CC=[NH+]1)CC2	REAL300011261804	1	36	0.0	-50.01	288.26	7.87	-42.14
O=C([O-])C12CCCC1N(C1=CC=CC(C(F)(F)F)=N1)CC2	REAL300011261805	0	35	-1.0	-56.40	291.27	7.71	-48.69
O=C([O-])C12CCCC1N(C1=NC(C(F)(F)F)=CS1)CC2	REAL300011261806	0	32	-1.0	-56.57	283.34	6.35	-50.22
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCC2(C(=O)[O-])CCCC12	REAL300011261807	0	41	-1.0	-51.98	319.60	5.28	-46.70
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)N=N1)CC2	REAL300011261808	0	34	-1.0	-55.71	286.97	6.57	-49.14
O=C([O-])C12CCCC1N(C1=NC(C3=CC=C([N+](=O)[O-])C=C3)=CS1)CC2	REAL300011261809	0	41	-1.0	-58.17	349.94	9.81	-48.36
COC1=CC=C(C2=NN=C(N3CCC4(C(=O)[O-])CCCC34)S2)C=C1	REAL300011261810	0	42	-1.0	-56.16	346.56	7.63	-48.53
O=C([O-])C12CCCC1N(C1=NC=NC3=CC=CC(F)=C31)CC2	REAL300011261811	0	37	-1.0	-54.73	298.19	9.48	-45.25
O=C([O-])C12CCCC1N(C1=NC=NC=C1Br)CC2	REAL300011261812	0	31	-1.0	-48.18	261.56	7.14	-41.04
CCC1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=C(C)N=C2S1	REAL300011261813	0	43	-1.0	-47.75	344.81	8.92	-38.83
CC(C)(C)N1N=CC2=C1N=C(N1CCC3(C(=O)[O-])CCCC13)NC2=O	REAL300011261814	0	47	-1.0	-48.87	363.62	9.91	-38.96
O=C([O-])C12CCCC1N(C1=CC=C([N+](=O)[O-])C(OC(F)F)=C1)CC2	REAL300011261815	0	39	-1.0	-53.49	320.87	8.38	-45.11
COC1=CC=C(C2=NC=CC(N3CCC4(C(=O)[O-])CCCC34)=N2)C=C1	REAL300011261816	0	45	-1.0	-55.49	355.11	9.16	-46.33
O=C([O-])C12CCCC1N(C1=C3C=CSC3=NC(C3=CC=CC=N3)=N1)CC2	REAL300011261817	0	43	-1.0	-64.24	354.31	9.10	-55.14
CC1=C(Cl)C=CC2=CC=C(N3CCC4(C(=O)[O-])CCCC34)N=C12	REAL300011261818	0	41	-1.0	-48.12	323.53	9.13	-38.99
O=C([O-])C12CCCC1N(C1=[NH+]C=CC(N3CC4=CC=CC=C4C3)=N1)CC2	REAL300011261819	0	48	0.0	-57.10	359.74	9.10	-48.00
O=C([O-])C12CCCC1N(C1=NC=CC(N3CC4=CC=CC=C4C3)=N1)CC2	REAL300011261819	1	47	-1.0	-51.82	365.20	10.24	-41.58
O=C([O-])C12CCCC1N(C1=NC(C3=CC=CC([N+](=O)[O-])=C3)=CS1)CC2	REAL300011261820	0	41	-1.0	-51.65	349.89	9.81	-41.84
O=C([O-])C12CCCC1N(C1=CC(C3CC3)=NC(C3CC3)=N1)CC2	REAL300011261821	0	45	-1.0	-53.45	348.66	10.26	-43.19
O=C([O-])C12CCCC1N(C1=C3C=CNC3=NC(C3CC3)=[NH+]1)CC2	REAL300011261822	0	43	0.0	-41.49	324.36	9.24	-32.25
O=C([O-])C12CCCC1N(C1=CC=NC(CSC3=CC=CC=C3)=N1)CC2	REAL300011261823	0	45	-1.0	-55.02	368.25	10.60	-44.42
CN1N=CC=C1C1=CC=NC(N2CCC3(C(=O)[O-])CCCC23)=N1	REAL300011261824	0	41	-1.0	-53.85	322.11	7.74	-46.11
CC1(O)CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=NC=[NH+]2)CC1	REAL300011261825	0	51	0.0	-52.87	372.08	6.09	-46.78
CC1(O)CCN(C2=CC(N3CCC4(C(=O)[O-])CCCC34)=[NH+]C=N2)CC1	REAL300011261825	1	51	0.0	-40.94	374.97	6.57	-34.37
CC(C)C1=CC2=C(N3CCC4(C(=O)[O-])CCCC34)N=CN=C2C=C1	REAL300011261826	0	46	-1.0	-48.02	338.45	9.44	-38.58
NS(=O)(=O)C1=CC=C2NC(N3CCC4(C(=O)[O-])CCCC34)=NC2=C1	REAL300011261827	0	41	-1.0	-62.81	337.76	3.10	-59.71
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)N3CCCC3)C=C1)CC2	REAL300011261828	0	48	-1.0	-53.12	371.30	5.80	-47.32
O=C([O-])C12CCCC1N(C1=CC=C(S(=O)(=O)N3CCOCC3)C=C1)CC2	REAL300011261829	0	49	-1.0	-53.28	377.70	4.22	-49.06
O=C([O-])C12CCCC1N(C1=CC=C(C(F)(F)F)N=C1)CC2	REAL300011261830	0	35	-1.0	-44.25	290.39	6.61	-37.64
CC(C)N(C)S(=O)(=O)C1=CC=C(N2CCC3(C(=O)[O-])CCCC23)C=C1	REAL300011261831	0	50	-1.0	-52.75	383.29	6.03	-46.72
O=C([O-])C1=C(N2CCC(CO)(C3CCOCC3)C2)C2=CC=CC=C2N=N1	REAL300011261832	0	48	-1.0	-66.72	345.49	4.16	-62.56
O=C([O-])C1=CC(N2CCC(CO)(C3CCOCC3)C2)=CC=C1[N+](=O)[O-]	REAL300011261833	0	46	-1.0	-61.93	351.86	4.88	-57.05
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3CCC(CO)(C4CCOCC4)C3)=C12	REAL300011261834	0	51	-1.0	-48.84	389.22	6.15	-42.69
CC1=C(C(=O)[O-])SC2=NC=NC(N3CCC(CO)(C4CCOCC4)C3)=C12	REAL300011261835	0	48	-1.0	-47.86	367.48	6.17	-41.69
NS(=O)(=O)C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)C(C(=O)[O-])=C1	REAL300011261836	0	49	-1.0	-61.07	377.04	-0.11	-61.18
COC1=CC=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=CN=C12	REAL300011261837	0	53	-1.0	-62.05	378.70	4.64	-57.41
CC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261838	0	56	0.0	-39.14	391.08	7.33	-31.81
CC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261839	0	53	0.0	-43.74	369.37	6.54	-37.20
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3CCC(CO)(C4CCOCC4)C3)=C2C=C1	REAL300011261840	0	56	0.0	-41.57	387.47	7.06	-34.51
COC1=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261841	0	54	0.0	-43.38	380.00	5.25	-38.13
CC1=CC=CC2=C(N3CCC(CO)(C4CCOCC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261842	0	53	0.0	-42.43	370.55	6.50	-35.93
O=C([O-])C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)N=N1	REAL300011261843	0	42	-1.0	-52.22	313.49	1.80	-50.42
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)N=C1	REAL300011261844	0	42	-1.0	-47.03	315.08	3.25	-43.78
O=C([O-])C1=C[NH+]=CC=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261845	0	44	0.0	-50.18	320.56	3.67	-46.51
O=C([O-])C1=CC=NC(N2CCC(CO)(C3CCOCC3)C2)=C1[N+](=O)[O-]	REAL300011261846	0	45	-1.0	-53.76	343.12	4.54	-49.22
O=C([O-])C1=CN=CN=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261847	0	42	-1.0	-51.08	310.22	3.77	-47.31
O=C([O-])CC1=CC=C(N2CCC(CO)(C3CCOCC3)C2)C([N+](=O)[O-])=C1	REAL300011261848	0	49	-1.0	-49.67	373.40	6.40	-43.27
CC1=C(C(=O)[O-])C(N2CCC(CO)(C3CCOCC3)C2)=NC2=CC=CC=C12	REAL300011261849	0	52	-1.0	-63.38	380.57	6.12	-57.26
CC1=CC(N2CCC(CO)(C3CCOCC3)C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011261850	0	49	-1.0	-52.28	369.36	6.13	-46.15
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2CCC(CO)(C3CCOCC3)C2)=N1	REAL300011261851	0	45	-1.0	-45.05	349.17	4.87	-40.18
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2CCC(CO)(C3CCOCC3)C2)=N1	REAL300011261852	0	48	-1.0	-56.25	360.63	4.90	-51.35
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)N=C1	REAL300011261853	0	42	-1.0	-47.03	315.08	3.25	-43.78
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)C([N+](=O)[O-])=C1	REAL300011261854	0	45	-1.0	-42.44	348.21	4.87	-37.57
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)S1	REAL300011261855	0	40	-1.0	-51.36	311.13	2.33	-49.03
O=C([O-])C1=CC(N2CCC(CO)(C3CCOCC3)C2)=NC=N1	REAL300011261856	0	42	-1.0	-50.89	313.61	2.88	-48.01
O=C([O-])C1=CC=C[NH+]=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261857	0	44	0.0	-48.00	320.75	4.68	-43.32
O=C([O-])C1=CC=CN=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261857	1	43	-1.0	-57.47	314.60	4.08	-53.39
O=C([O-])C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)N=C1	REAL300011261858	0	43	-1.0	-49.08	321.59	3.32	-45.76
O=C([O-])C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)[NH+]=C1	REAL300011261858	1	44	0.0	-38.29	322.13	3.02	-35.27
O=C([O-])C1=CC2=NC=NC(N3CCC(CO)(C4CCOCC4)C3)=C2C=C1	REAL300011261859	0	48	-1.0	-50.22	357.57	5.34	-44.88
O=C([O-])C1=CC=[NH+]C(N2CCC(CO)(C3CCOCC3)C2)=C1	REAL300011261860	0	44	0.0	-45.95	321.90	3.39	-42.56
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261861	0	46	-1.0	-53.66	333.42	6.14	-47.52
CC1=[NH+]C(N2CCC(CO)(C3CCOCC3)C2)=CC=C1C(=O)[O-]	REAL300011261862	0	47	0.0	-36.30	338.41	3.61	-32.69
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)C=N1	REAL300011261863	0	42	-1.0	-50.68	317.27	1.46	-49.22
O=C([O-])C1=CN=C(N2CCC(CO)(C3CCOCC3)C2)C([N+](=O)[O-])=C1	REAL300011261864	0	45	-1.0	-42.44	348.21	4.87	-37.57
CC1=NC(N2CCC(CO)(C3CCOCC3)C2)=NC=C1C(=O)[O-]	REAL300011261865	0	45	-1.0	-47.90	330.24	3.59	-44.31
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261866	0	46	-1.0	-49.13	355.46	5.14	-43.99
O=C([O-])C1=CC=C(N2CCC(CO)(C3CCOCC3)C2)N=N1	REAL300011261867	0	42	-1.0	-52.22	313.49	1.80	-50.42
O=C([O-])CC1=CC=C(N2CCC(CO)(C3CCOCC3)C2)C([N+](=O)[O-])=C1	REAL300011261868	0	49	-1.0	-49.67	373.40	6.40	-43.27
O=C([O-])C1=C[NH+]=CC=C1N1CCC(CO)(C2CCOCC2)C1	REAL300011261869	0	44	0.0	-50.18	320.56	3.67	-46.51
O=C([O-])C1=CC(N2CCC(CO)(C3CCOCC3)C2)=CC=[NH+]1	REAL300011261870	0	44	0.0	-34.75	323.82	2.45	-32.30
O=C([O-])C1=CC(N2CCC(CO)(C3CCOCC3)C2)=CC=N1	REAL300011261870	1	43	-1.0	-55.94	321.39	2.04	-53.90
CC1=CC=C(C(=O)[O-])C(N2CCC(CO)(C3CCOCC3)C2)=[NH+]1	REAL300011261871	0	47	0.0	-43.76	342.72	5.00	-38.76
O=C([O-])C1=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C2=CC=CC=C2N=N1	REAL300011261872	0	41	-1.0	-68.61	319.97	4.67	-63.94
O=C([O-])C1=CC(N2C[C@@H](CO)[C@H](C3CC3)C2)=CC=C1[N+](=O)[O-]	REAL300011261873	0	39	-1.0	-55.99	318.85	5.89	-50.10
CC1=C(C(=O)[O-])SC2=NC(C)=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C12	REAL300011261874	0	44	-1.0	-48.82	358.03	7.01	-41.81
CC1=C(C(=O)[O-])SC2=NC(CN(C)C)=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C12	REAL300011261875	0	52	-1.0	-47.07	416.33	5.91	-41.16
CC1=C(C(=O)[O-])SC2=NC(C[NH+](C)C)=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C12	REAL300011261875	1	53	0.0	-66.59	418.76	8.39	-58.20
CC1=C(C(=O)[O-])SC2=NC=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C12	REAL300011261876	0	41	-1.0	-47.59	336.43	7.01	-40.58
NS(=O)(=O)C1=CC=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C(C(=O)[O-])=C1	REAL300011261877	0	42	-1.0	-62.88	346.20	0.80	-62.08
COC1=CC=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=CN=C12	REAL300011261878	0	46	-1.0	-58.75	352.63	5.14	-53.61
CC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261879	0	49	0.0	-40.20	365.86	7.62	-32.58
CC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261880	0	46	0.0	-46.18	345.11	6.78	-39.40
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(N3C[C@@H](CO)[C@H](C4CC4)C3)=C2C=C1	REAL300011261881	0	49	0.0	-40.00	361.43	7.50	-32.50
COC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261882	0	47	0.0	-46.39	353.22	5.42	-40.97
CC1=CC=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261883	0	46	0.0	-41.06	344.50	6.95	-34.11
O=C([O-])C1=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C2=CC3=C(C=C2[NH+]=C1)OCO3	REAL300011261884	0	46	0.0	-40.54	352.65	4.85	-35.69
COC1=CC2=C(N3C[C@@H](CO)[C@H](C4CC4)C3)C(C(=O)[O-])=CN=C2C(OC)=C1	REAL300011261885	0	50	-1.0	-57.62	382.06	4.47	-53.15
O=C([O-])C1=CC=NC(N2C[C@@H](CO)[C@H](C3CC3)C2)=C1[N+](=O)[O-]	REAL300011261886	0	38	-1.0	-51.33	322.16	5.49	-45.84
O=C([O-])CC1=CC=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C([N+](=O)[O-])=C1	REAL300011261887	0	42	-1.0	-49.00	342.55	7.32	-41.68
CC1=C(C(=O)[O-])C(N2C[C@@H](CO)[C@H](C3CC3)C2)=NC2=CC=CC=C12	REAL300011261888	0	45	-1.0	-59.13	354.60	7.10	-52.03
CC1=CC(N2C[C@@H](CO)[C@H](C3CC3)C2)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011261889	0	42	-1.0	-52.58	335.92	7.11	-45.47
O=C([O-])C1=CC=C([N+](=O)[O-])C(N2C[C@@H](CO)[C@H](C3CC3)C2)=N1	REAL300011261890	0	38	-1.0	-45.21	321.41	5.85	-39.36
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(N2C[C@@H](CO)[C@H](C3CC3)C2)=N1	REAL300011261891	0	41	-1.0	-51.73	340.43	6.07	-45.66
O=C([O-])C1=CN=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C([N+](=O)[O-])=C1	REAL300011261892	0	38	-1.0	-41.98	315.02	5.63	-36.35
O=C([O-])C1=CC2=NC=NC(N3C[C@@H](CO)[C@H](C4CC4)C3)=C2C=C1	REAL300011261893	0	41	-1.0	-48.71	331.34	6.34	-42.37
O=C([O-])C1=CC=CC([N+](=O)[O-])=C1N1C[C@@H](CO)[C@H](C2CC2)C1	REAL300011261894	0	39	-1.0	-50.22	306.11	6.19	-44.03
O=C([O-])C1=CN=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C([N+](=O)[O-])=C1	REAL300011261895	0	38	-1.0	-41.98	315.02	5.63	-36.35
O=C([O-])C1=CC=C(C(F)(F)F)N=C1N1C[C@@H](CO)[C@H](C2CC2)C1	REAL300011261896	0	39	-1.0	-44.77	331.98	6.17	-38.60
O=C([O-])CC1=CC=C(N2C[C@@H](CO)[C@H](C3CC3)C2)C([N+](=O)[O-])=C1	REAL300011261897	0	42	-1.0	-49.00	342.55	7.32	-41.68
O=C([O-])C1=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C2=CC=CC=C2N=N1	REAL300011261898	0	42	-1.0	-57.74	359.58	3.65	-54.09
O=C([O-])C1=CC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=C1[N+](=O)[O-]	REAL300011261899	0	40	-1.0	-69.59	351.83	5.02	-64.57
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3(C4=CC=CC=C4)NC(=O)NC3=O)=C12	REAL300011261900	0	42	-1.0	-51.78	363.48	5.32	-46.46
CC1=CC2=C(NCC3(C4=CC=CC=C4)NC(=O)NC3=O)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261901	0	47	0.0	-46.59	387.83	6.20	-40.39
CC1=CC=CC2=C(NCC3(C4=CC=CC=C4)NC(=O)NC3=O)C(C(=O)[O-])=C[NH+]=C12	REAL300011261902	0	47	0.0	-45.39	384.21	6.29	-39.10
O=C([O-])C1=CC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=N1	REAL300011261903	0	36	-1.0	-57.24	316.06	1.95	-55.29
O=C([O-])C1=COC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=N1	REAL300011261904	0	34	-1.0	-55.06	305.07	-0.74	-55.80
O=C([O-])C1=CN=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=C1	REAL300011261905	0	36	-1.0	-46.30	317.20	3.68	-42.62
O=C([O-])C1=C[NH+]=CC=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261906	0	38	0.0	-53.46	318.94	2.93	-50.53
O=C([O-])C1=C([N+](=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=NC=C1	REAL300011261907	0	39	-1.0	-57.01	348.72	4.73	-52.28
O=C([O-])C1=CN=CN=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261908	0	36	-1.0	-48.33	312.12	3.38	-44.95
O=C([O-])CC1=CC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C([N+](=O)[O-])=C1	REAL300011261909	0	43	-1.0	-53.74	370.38	5.61	-48.13
CC1=C(C(=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=NC2=CC=CC=C21	REAL300011261910	0	46	-1.0	-58.16	384.31	6.18	-51.98
CC1=CC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=C(C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011261911	0	43	-1.0	-55.76	363.79	5.38	-50.38
O=C([O-])C1=CC=C([N+](=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=N1	REAL300011261912	0	39	-1.0	-44.07	348.58	4.20	-39.87
CC1=CC(C(=O)[O-])=C([N+](=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=N1	REAL300011261913	0	42	-1.0	-56.95	370.34	5.33	-51.62
O=C([O-])C1=CN=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=C1	REAL300011261914	0	36	-1.0	-46.30	317.20	3.68	-42.62
O=C([O-])C1=CN=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C([N+](=O)[O-])=C1	REAL300011261915	0	39	-1.0	-44.69	347.54	4.21	-40.48
O=C([O-])C1=CN=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)S1	REAL300011261916	0	34	-1.0	-51.43	313.38	2.49	-48.94
O=C([O-])C1=NC=NC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=C1	REAL300011261917	0	36	-1.0	-50.18	316.22	2.84	-47.34
O=C([O-])C1=CC=CN=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261918	0	37	-1.0	-53.11	317.29	3.63	-49.48
O=C([O-])C1=CC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=C1	REAL300011261919	0	37	-1.0	-52.95	320.29	3.07	-49.88
O=C([O-])C1=CC=C2C(=C1)N=CN=C2NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261920	0	42	-1.0	-54.58	360.16	5.34	-49.24
O=C([O-])C1=CC=NC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=C1	REAL300011261921	0	37	-1.0	-48.85	320.47	3.03	-45.82
O=C([O-])C1=CC=[NH+]C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=C1	REAL300011261921	1	38	0.0	-48.31	323.57	3.47	-44.84
O=C([O-])C1=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C([N+](=O)[O-])=CC=C1	REAL300011261922	0	40	-1.0	-50.61	341.40	5.60	-45.01
CC1=NC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=C1C(=O)[O-]	REAL300011261923	0	40	-1.0	-53.22	340.28	3.69	-49.53
CC1=[NH+]C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=C1C(=O)[O-]	REAL300011261923	1	41	0.0	-45.51	339.39	4.02	-41.49
O=C([O-])C1=NC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=C1	REAL300011261924	0	36	-1.0	-54.64	315.96	1.21	-53.43
O=C([O-])C1=CN=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C([N+](=O)[O-])=C1	REAL300011261925	0	39	-1.0	-44.69	347.54	4.21	-40.48
CC1=NC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=NC=C1C(=O)[O-]	REAL300011261926	0	39	-1.0	-45.78	333.66	4.20	-41.58
O=C([O-])C1=CC=C(C(F)(F)F)N=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261927	0	40	-1.0	-45.45	357.76	4.72	-40.73
O=C([O-])C1=CC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)N=N1	REAL300011261928	0	36	-1.0	-57.24	316.06	1.95	-55.29
O=C([O-])CC1=CC=C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)C([N+](=O)[O-])=C1	REAL300011261929	0	43	-1.0	-53.74	370.38	5.61	-48.13
O=C([O-])C1=C[NH+]=CC=C1NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300011261930	0	38	0.0	-53.46	318.94	2.93	-50.53
O=C([O-])C1=CC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=[NH+]1	REAL300011261931	0	38	0.0	-45.18	323.63	2.61	-42.57
O=C([O-])C1=CC(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=CC=N1	REAL300011261931	1	37	-1.0	-60.08	321.22	2.20	-57.88
CC1=CC=C(C(=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=N1	REAL300011261932	0	40	-1.0	-53.72	338.89	4.23	-49.49
CC1=CC=C(C(=O)[O-])C(NCC2(C3=CC=CC=C3)NC(=O)NC2=O)=[NH+]1	REAL300011261932	1	41	0.0	-50.08	340.02	4.55	-45.53
O=C([O-])C1=C(NCC2=CNN=C2C2=CC=CC(F)=C2)C2=CC=CC=C2N=N1	REAL300011261933	0	40	-1.0	-52.93	344.95	7.44	-45.49
O=C([O-])C1=CC(NCC2=CNN=C2C2=CC=CC(F)=C2)=CC=C1[N+](=O)[O-]	REAL300011261934	0	38	-1.0	-69.73	340.08	9.32	-60.41
CC1=C(C(=O)[O-])SC2=NC(C)=NC(NCC3=CNN=C3C3=CC=CC(F)=C3)=C12	REAL300011261935	0	43	-1.0	-54.68	371.93	9.47	-45.21
CC1=C(C(=O)[O-])SC2=NC=NC(NCC3=CNN=C3C3=CC=CC(F)=C3)=C12	REAL300011261936	0	40	-1.0	-53.84	350.09	9.53	-44.31
NS(=O)(=O)C1=CC=C(NCC2=CNN=C2C2=CC=CC(F)=C2)C(C(=O)[O-])=C1	REAL300011261937	0	41	-1.0	-62.54	362.39	3.42	-59.12
COC1=CC=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=CN=C12	REAL300011261938	0	45	-1.0	-55.56	375.65	7.16	-48.40
CC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C(C)=C1	REAL300011261939	0	48	0.0	-29.85	384.02	9.59	-20.26
CC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261940	0	45	0.0	-34.92	365.40	8.87	-26.05
CC1=C(C)C2=[NH+]C=C(C(=O)[O-])C(NCC3=CNN=C3C3=CC=CC(F)=C3)=C2C=C1	REAL300011261941	0	48	0.0	-39.68	384.39	9.56	-30.12
COC1=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C2C=C1	REAL300011261942	0	46	0.0	-34.36	370.62	7.71	-26.65
CC1=CC=CC2=C(NCC3=CNN=C3C3=CC=CC(F)=C3)C(C(=O)[O-])=C[NH+]=C12	REAL300011261943	0	45	0.0	-40.51	367.54	8.97	-31.54
O=C([O-])C1=CC=C(NCC2=CNN=C2C2=CC=CC(F)=C2)N=N1	REAL300011261944	0	34	-1.0	-58.80	304.32	6.27	-52.53
O=C([O-])C1=COC(NCC2=CNN=C2C2=CC=CC(F)=C2)=N1	REAL300011261945	0	32	-1.0	-57.88	293.32	3.77	-54.11
O=C([O-])C1=CN=C(NCC2=CNN=C2C2=CC=CC(F)=C2)N=C1	REAL300011261946	0	34	-1.0	-49.53	305.41	8.00	-41.53
O=C([O-])C1=C[NH+]=CC=C1NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300011261947	0	36	0.0	-49.12	306.89	7.16	-41.96
O=C([O-])C1=CC=NC(NCC2=CNN=C2C2=CC=CC(F)=C2)=C1[N+](=O)[O-]	REAL300011261948	0	37	-1.0	-58.75	336.97	9.02	-49.73
O=C([O-])C1=CN=CN=C1NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300011261949	0	34	-1.0	-51.93	300.37	7.66	-44.27
O=C([O-])CC1=CC=C(NCC2=CNN=C2C2=CC=CC(F)=C2)C([N+](=O)[O-])=C1	REAL300011261950	0	41	-1.0	-53.59	358.67	9.87	-43.72
CC1=C(C(=O)[O-])C(NCC2=CNN=C2C2=CC=CC(F)=C2)=NC2=CC=CC=C12	REAL300011261951	0	44	-1.0	-61.09	372.52	10.48	-50.61
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CC1=[NH+]C(NCC2=CNN=C2C2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300011261964	1	39	0.0	-44.52	327.36	8.27	-36.25
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CC1=C(CNC2=CC=C(C(F)(F)F)C=N2)C=C(C(=O)[O-])S1	REAL300011261974	0	31	-1.0	-49.50	298.26	7.54	-41.96
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CC1=C(CNC2=NN=NN2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300011261979	0	34	-1.0	-51.54	312.86	9.51	-42.03
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CC1=C(CNC2=CC=C([N+](=O)[O-])C(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300011261981	0	34	-1.0	-53.40	321.71	8.89	-44.51
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CC1=C(CNC2=C3C(=NC(C)=N2)SC2=C3CCC2)C=C(C(=O)[O-])S1	REAL300011261983	0	40	-1.0	-51.16	356.65	9.99	-41.17
CC1=C(CNC2=C3C(=NC=N2)SC2=C3CCCC2)C=C(C(=O)[O-])S1	REAL300011261984	0	40	-1.0	-50.14	348.85	10.67	-39.47
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CC1=C(CNC2=C3C(=NC=N2)SC2=C3CCC2)C=C(C(=O)[O-])S1	REAL300011261987	0	37	-1.0	-50.53	333.92	10.04	-40.49
CC1=C(CNC2=C3C(=NC=N2)SC2=C3CCC(C)C2)C=C(C(=O)[O-])S1	REAL300011261988	0	43	-1.0	-50.11	369.66	11.27	-38.84
CC1=C(CNC2=C3C=C(C4=CC=CC=C4)SC3=NC=N2)C=C(C(=O)[O-])S1	REAL300011261989	0	40	-1.0	-51.28	368.93	11.62	-39.66
CC1=C(CNC2=C3C=CSC3=NC=N2)C=C(C(=O)[O-])S1	REAL300011261990	0	30	-1.0	-50.71	291.71	7.95	-42.76
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CC1=C(CNC2=C3C=C(C4=CC=CC=C4)SC3=NC(C)=N2)C=C(C(=O)[O-])S1	REAL300011261992	0	43	-1.0	-51.72	390.76	11.57	-40.15
CC1=C(CNC2=NC(C3=CC=CS3)=NC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300011261993	0	40	-1.0	-53.72	369.37	11.05	-42.67
CC1=C(CNC2=CC=C(C(=O)C3=CC=CC=C3)C=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300011261994	0	43	-1.0	-58.40	383.33	11.57	-46.83
CNS(=O)(=O)C1=CC=C(NCC2=C(C)SC(C(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300011261995	0	39	-1.0	-58.17	362.94	4.52	-53.65
CC1=C(CNC2=CC=C(S(=O)(=O)N3CCOCC3)C=N2)C=C(C(=O)[O-])S1	REAL300011261996	0	44	-1.0	-55.82	387.66	4.08	-51.74
CC1=C(CNC2=CC=C(S(=O)(=O)N3CCCCC3)C=N2)C=C(C(=O)[O-])S1	REAL300011261997	0	46	-1.0	-53.68	396.42	6.50	-47.18
CC1=C(CNC2=CC=C(S(=O)(=O)N3CCCC3)C=N2)C=C(C(=O)[O-])S1	REAL300011261998	0	43	-1.0	-55.61	381.24	5.65	-49.96
CCN(CC)S(=O)(=O)C1=CC=C(NCC2=C(C)SC(C(=O)[O-])=C2)N=C1	REAL300011261999	0	45	-1.0	-53.82	396.09	6.18	-47.64
CC1=C(CNC2=C3C(C4=CC=CC=C4)=CSC3=NC(C)=N2)C=C(C(=O)[O-])S1	REAL300011262000	0	43	-1.0	-51.29	387.55	11.82	-39.47
CCS(=O)(=O)C1=CC(Cl)=CC(CNC(=O)C(=O)[O-])=C1	REAL300011487513	0	30	-1.0	-50.16	297.61	3.16	-47.00
O=C([O-])C(=O)NCC1=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2O1	REAL300011487514	0	34	-1.0	-44.30	323.12	8.87	-35.43
CC(C)(C)OC(=O)N(CCCCNC(=O)C(=O)[O-])OCC1=CC=CC=C1	REAL300011487515	0	51	-1.0	-49.27	423.29	9.18	-40.09
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)C(=O)[O-]	REAL300011487516	0	44	0.0	-62.22	356.69	7.25	-54.97
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)C(=O)[O-]	REAL300011487516	1	44	0.0	-60.47	356.21	7.19	-53.28
CN(CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)C(=O)[O-]	REAL300011487517	0	34	-1.0	-51.44	318.48	3.27	-48.17
COCCOCCCOC1=CC=C(CNC(=O)C(=O)[O-])C=C1	REAL300011487518	0	42	-1.0	-47.25	360.72	4.56	-42.69
O=C([O-])C(=O)N1CCCC1CC1=CC=CC=C1Br	REAL300011487519	0	31	-1.0	-50.35	273.72	8.27	-42.08
CC(=O)NCC1=CC(OC2CCN(C(=O)C(=O)[O-])C2)=CC=N1	REAL300011487520	0	38	-1.0	-51.11	324.80	3.14	-47.97
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COC(=O)[C@@H]1CN(C(=O)C(=O)[O-])C[C@H]1C1=CC=C(F)C=C1F	REAL300011487522	0	34	-1.0	-50.71	300.75	7.64	-43.07
COC(=O)[C@@H]1CN(C(=O)C(=O)[O-])C[C@H]1C1=CC=C(Br)C=C1	REAL300011487523	0	34	-1.0	-43.32	311.49	8.13	-35.19
COCCN1C(=O)C[C@H](CNC(=O)C(=O)[O-])[C@H]1C1=C(C)N(C)N=C1	REAL300011487524	0	45	-1.0	-51.11	368.40	3.87	-47.24
CC1=C(Br)N2CCN(C(=O)C(=O)[O-])C(C)C2=N1	REAL300011487525	0	28	-1.0	-38.74	249.65	5.37	-33.37
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O=C([O-])C(=O)NCC1=CC=C(NC2=CC(C(F)(F)F)=CC=N2)C=C1	REAL300011487529	0	35	-1.0	-45.48	322.72	6.60	-38.88
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CNC(=O)C(CNC(=O)C(=O)[O-])CC1=CC=C(OC)C(F)=C1	REAL300011487532	0	38	-1.0	-55.00	333.24	3.30	-51.70
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COC(=O)[C@@H]1CN(C(=O)C(=O)[O-])C[C@H]1C1=CC=C(Cl)C=C1	REAL300011487537	0	34	-1.0	-43.39	306.93	8.02	-35.37
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O=C([O-])C(=O)NCC1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300011487539	0	35	-1.0	-44.19	306.93	6.49	-37.70
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CN(C(=O)C(=O)[O-])[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C21	REAL300011487541	0	41	-1.0	-44.71	351.75	11.89	-32.82
CNC(=O)C(CNC(=O)C(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300011487542	0	37	-1.0	-49.99	336.87	4.81	-45.18
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CN1CC[NH+](CCCOC2=CC=C(NC(=O)C(=O)[O-])C=C2)CC1	REAL300011487545	1	46	0.0	-72.32	361.79	5.70	-66.62
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COC1=CC(CNC(=O)C(=O)[O-])=C(Br)C=C1O	REAL300011487547	0	26	-1.0	-44.79	257.16	1.96	-42.83
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CCCCCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487549	0	62	0.0	-51.35	450.76	13.03	-38.32
CCCCCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OC	REAL300011487549	1	62	0.0	-52.90	452.49	13.08	-39.82
CCOC1=CC(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300011487550	0	60	0.0	-53.43	446.52	13.85	-39.58
CCOC1=CC(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)=CC=C1OCC1=CC=CC=C1	REAL300011487550	1	60	0.0	-54.56	448.25	13.91	-40.65
CCCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487551	0	59	0.0	-47.10	432.12	12.41	-34.69
CCCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487551	1	59	0.0	-52.90	431.34	12.44	-40.46
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C1	REAL300011487552	0	56	0.0	-51.68	418.77	13.72	-37.96
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC3=CC=C(C)C=C3)C=C2)C1	REAL300011487552	1	56	0.0	-50.23	416.84	13.72	-36.51
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300011487553	0	43	0.0	-48.93	346.18	10.12	-38.81
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=CC=C2OC(F)F)C1	REAL300011487553	1	43	0.0	-42.86	341.65	10.27	-32.59
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CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(OC)=C3OCCOC3=C2)C1	REAL300011487764	0	49	0.0	-54.08	359.58	8.83	-45.25
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CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N3CCOCC3)C=C2)C1	REAL300011487775	0	52	0.0	-43.01	369.70	8.64	-34.37
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(N3C=NC=N3)C(C)=C2)C1	REAL300011487777	1	48	0.0	-48.01	360.97	13.33	-34.68
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)C=C2Cl)C1	REAL300011487778	1	39	0.0	-46.71	321.67	10.92	-35.79
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(OC)=C(OC)C=C2C)C1	REAL300011487787	1	50	0.0	-44.94	361.42	9.62	-35.32
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Br)C(C)=C2)C1	REAL300011487788	0	42	0.0	-50.99	325.31	11.01	-39.98
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)C(C)=C2)C1	REAL300011487788	1	42	0.0	-49.69	323.66	10.94	-38.75
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN=C(C3=CC=CS3)S2)C1	REAL300011487789	0	42	0.0	-49.37	342.96	9.96	-39.41
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN=C(C3=CC=CS3)S2)C1	REAL300011487789	1	42	0.0	-48.67	341.69	9.83	-38.84
CCC1(C(=O)[O-])CCC[N@H+](CC2=CN=C3C=CC=C(C)N23)C1	REAL300011487790	0	45	0.0	-40.58	320.51	10.71	-29.87
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CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2OCCOC)C1	REAL300011487791	0	50	0.0	-46.28	370.56	9.42	-36.86
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2OCCOC)C1	REAL300011487791	1	50	0.0	-35.55	365.88	9.52	-26.03
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=CN=C(C3CCC3)S2)C1	REAL300011487793	1	45	0.0	-42.70	341.80	9.90	-32.80
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Cl)C3=CC=CN=C23)C1	REAL300011487795	1	44	0.0	-37.98	336.52	11.18	-26.80
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CCC1(C(=O)[O-])CCC[N@@H+](CC2=C(OC(F)F)C=CC3=CC=CC=C32)C1	REAL300011487996	1	49	0.0	-42.76	361.52	11.29	-31.47
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC(C)C)C(OC)=C2)C1	REAL300011487997	0	53	0.0	-53.16	384.44	10.56	-42.60
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC(C)C)C(OC)=C2)C1	REAL300011487997	1	53	0.0	-51.39	382.70	10.50	-40.89
CCCOC1=CC=C(C[N@@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487998	0	56	0.0	-46.97	410.62	11.62	-35.35
CCCOC1=CC=C(C[N@H+]2CCCC(CC)(C(=O)[O-])C2)C=C1OCC	REAL300011487998	1	56	0.0	-52.79	409.84	11.66	-41.13
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@@H+]1CCCC(CC)(C(=O)[O-])C1)=C2	REAL300011487999	0	55	0.0	-44.29	408.33	14.53	-29.76
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@H+]1CCCC(CC)(C(=O)[O-])C1)=C2	REAL300011487999	1	55	0.0	-51.31	406.26	14.49	-36.82
CCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=C3OCOC3=C2)C1	REAL300011488000	0	42	0.0	-54.70	333.25	9.11	-45.59
CCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=C3OCOC3=C2)C1	REAL300011488000	1	42	0.0	-48.28	334.03	9.07	-39.21
CCC1(C(=O)[O-])CCCN(CC2=CC(Br)=C3OCOC3=C2)C1	REAL300011488000	1	41	-1.0	-52.03	329.62	6.88	-45.15
CC#CCC([NH2+]CC1=CC=CC=C1OC(C)C(=O)OC)C(=O)[O-]	REAL300011836045	0	44	0.0	-29.09	368.31	9.61	-19.48
CC#CCC([NH2+]CC1=CC=CC=C1OCC(=O)OC)C(=O)[O-]	REAL300011836046	0	41	0.0	-28.00	348.34	8.93	-19.07
CC#CCC([NH2+]CC1=CC2=CC(OC)=CC=C2S1)C(=O)[O-]	REAL300011836047	0	38	0.0	-30.84	332.99	8.88	-21.96
CC#CCC([NH2+]CC1=CC=C(C(=O)N(CC)CC)C=C1)C(=O)[O-]	REAL300011836048	0	47	0.0	-32.07	376.16	9.76	-22.31
CC#CCC([NH2+]CC1=CC=C(C(=O)N(C)CC)C=C1)C(=O)[O-]	REAL300011836049	0	44	0.0	-37.97	356.76	8.84	-29.13
CC#CCC([NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C)C(=O)[O-]	REAL300011836050	0	44	0.0	-33.08	357.50	10.25	-22.83
CC#CCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300011836051	0	37	0.0	-30.51	337.26	9.94	-20.57
CC#CCC([NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)C(=O)[O-]	REAL300011836052	0	41	0.0	-32.25	353.04	10.27	-21.98
CC#CCC(NCC1=C(Br)C=C(CC)S1)C(=O)[O-]	REAL300011836053	0	33	-1.0	-44.00	318.95	8.16	-35.84
CC#CCC([NH2+]CC1=C(Br)C=C(CC)S1)C(=O)[O-]	REAL300011836053	1	34	0.0	-22.96	316.93	9.20	-13.76
CC#CCC([NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)C(=O)[O-]	REAL300011836054	0	41	0.0	-33.75	360.81	10.27	-23.48
CC#CCC(NCC1=CC2=C(C=C(C(=O)OC)N2)O1)C(=O)[O-]	REAL300011836055	0	37	-1.0	-43.90	334.36	5.78	-38.12
CC#CCC([NH2+]CC1=CC2=C(C=C(C(=O)OC)N2)O1)C(=O)[O-]	REAL300011836055	1	38	0.0	-30.31	334.64	6.85	-23.46
CC#CCC([NH2+]CC(C)(C)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300011836056	0	40	0.0	-30.10	335.41	10.39	-19.71
CC#CCC([NH2+]CC1=CC(Cl)=CC(Br)=C1)C(=O)[O-]	REAL300011836057	0	31	0.0	-28.25	302.76	9.13	-19.12
CC#CCC([NH2+]CC1=CC=CC=C1C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300011836058	0	47	0.0	-26.35	378.25	12.65	-13.70
CC#CCC(NCC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300011836059	0	56	-1.0	-49.94	447.18	6.97	-42.97
CC#CCC([NH2+]CC1=CC=C(N2CCN(C(=O)OC(C)(C)C)CC2)O1)C(=O)[O-]	REAL300011836059	1	57	0.0	-34.46	445.65	7.96	-26.50
CC#CCC(NCC1=NC(C2=CC=CC(OC)=C2)=CS1)C(=O)[O-]	REAL300011836060	0	40	-1.0	-48.26	357.25	7.02	-41.24
CC#CCC([NH2+]CC1=CC=C(CNC(=O)OC(C)(C)C)C=C1)C(=O)[O-]	REAL300011836061	0	51	0.0	-31.38	411.79	8.44	-22.94
CC#CCC([NH2+]CC1=CC(C(=O)OC)=C2COCCN12)C(=O)[O-]	REAL300011836062	0	43	0.0	-31.15	359.44	7.42	-23.73
CC#CCC([NH2+]CC1=CC=C(C(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300011836063	0	48	0.0	-33.19	378.71	9.92	-23.27
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C(Cl)=C1Cl)C(=O)[O-]	REAL300011836064	0	34	0.0	-32.12	323.89	9.75	-22.37
CC#CCC([NH2+]CC1=CNN=C1C1=CC=C(Cl)O1)C(=O)[O-]	REAL300011836065	0	35	0.0	-32.70	318.28	7.41	-25.29
CC#CCC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300011836066	0	36	0.0	-31.41	335.66	3.61	-27.80
CC#CCC(NCC1=CC=C(S(N)(=O)=O)C=C1Br)C(=O)[O-]	REAL300011836066	1	35	-1.0	-46.73	338.20	2.56	-44.17
CC#CCC([NH2+]CC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300011836067	0	31	0.0	-23.49	293.71	8.83	-14.66
CC#CCC(NCC1=C(Cl)C=CC=C1Br)C(=O)[O-]	REAL300011836067	1	30	-1.0	-48.06	296.65	7.86	-40.20
CC#CCC([NH2+]CC1=CC=C(F)C(Br)=C1F)C(=O)[O-]	REAL300011836068	0	31	0.0	-34.42	294.73	8.68	-25.74
CC#CCC([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	REAL300011836069	0	51	0.0	-33.30	389.79	9.07	-24.23
CC#CCC([NH2+]CC1=NC=C(Br)C=C1C)C(=O)[O-]	REAL300011836070	0	33	0.0	-23.49	295.23	7.31	-16.18
CC#CCC([NH2+]CC1=CC=CC(S(=O)(=O)C(F)F)=C1)C(=O)[O-]	REAL300011836071	0	37	0.0	-31.64	337.77	5.90	-25.74
CC#CCC([NH2+]CC1=CC=C2CCN(C(=O)OCC3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300011836072	0	53	0.0	-39.54	439.72	12.84	-26.70
CC#CCC([NH2+]CC1=CC(Br)=C(C)N=C1Cl)C(=O)[O-]	REAL300011836073	0	33	0.0	-23.62	311.39	7.77	-15.85
CC#CCC([NH2+]CC1=C(F)C=C(Br)C=C1OCC)C(=O)[O-]	REAL300011836074	0	38	0.0	-25.63	342.67	9.00	-16.63
CC#CCC(NCC1=C(F)C=C(Br)C=C1OCC)C(=O)[O-]	REAL300011836074	1	37	-1.0	-48.73	337.48	7.77	-40.96
CC#CCC(NCC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300011836075	0	33	-1.0	-55.33	303.87	4.09	-51.24
CC#CCC([NH2+]CC1=C(S(C)(=O)=O)SC=C1)C(=O)[O-]	REAL300011836075	1	34	0.0	-31.68	302.85	4.86	-26.82
CC#CCC([NH2+]CC1=CC=C(OCC2=CC=C(C(=O)OC)O2)C=C1)C(=O)[O-]	REAL300011836076	0	48	0.0	-34.49	414.94	10.25	-24.24
CC#CCC([NH2+]CC1=C(C)SC(C)=C1Br)C(=O)[O-]	REAL300011836077	0	34	0.0	-26.18	312.60	8.94	-17.24
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300011836078	0	41	0.0	-27.71	350.15	9.24	-18.47
CC#CCC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C(=O)[O-]	REAL300011836079	0	35	0.0	-30.94	316.29	7.82	-23.12
CC#CCC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300011836080	0	37	0.0	-27.30	335.10	9.86	-17.44
CC#CCC([NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C)C(=O)[O-]	REAL300011836081	0	44	0.0	-31.83	356.98	10.95	-20.88
CC#CCC([NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1)C(=O)[O-]	REAL300011836082	0	44	0.0	-33.50	361.61	11.59	-21.91
CC#CCC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300011836083	0	34	0.0	-27.46	321.72	10.09	-17.37
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1Br)C(=O)[O-]	REAL300011836084	0	41	0.0	-35.23	355.11	10.12	-25.11
CC#CCC([NH2+]CC1=CC=CC2=C1C1=C(C=CC=C1)N2)C(=O)[O-]	REAL300011836085	0	41	0.0	-25.67	337.88	10.07	-15.60
CC#CCC([NH2+]CC1=CNN=C1C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300011836086	0	38	0.0	-31.71	343.26	8.51	-23.20
CC#CCC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1C)C(=O)[O-]	REAL300011836087	0	44	0.0	-34.96	376.94	10.65	-24.31
CC#CCC([NH2+]CC1=CNN=C1C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300011836088	0	38	0.0	-27.01	343.79	8.53	-18.48
CC#CCC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C(=O)[O-]	REAL300011836089	0	38	0.0	-28.30	328.65	7.97	-20.33
CC#CCC([NH2+]CC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300011836090	0	31	0.0	-22.72	296.88	8.88	-13.84
CC#CCC(NCC1=C(Br)C=CC=C1Br)C(=O)[O-]	REAL300011836090	1	30	-1.0	-44.71	301.06	7.95	-36.76
CC#CCC([NH2+]CC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300011836091	0	35	0.0	-26.21	317.59	8.05	-18.16
CC#CCC(NCC1=C(Br)C=CC=C1OC(F)F)C(=O)[O-]	REAL300011836091	1	34	-1.0	-47.08	321.93	7.07	-40.01
CC#CCC([NH2+]CC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300011836092	0	38	0.0	-29.93	338.60	9.50	-20.43
CC#CCC(NCC1=C(Cl)N(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300011836092	1	37	-1.0	-51.02	339.50	8.39	-42.63
CC#CCC([NH2+]CC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300011836093	0	31	0.0	-26.87	297.97	8.74	-18.13
CC#CCC(NCC1=C(F)C=C(Br)C=C1F)C(=O)[O-]	REAL300011836093	1	30	-1.0	-45.51	297.84	7.61	-37.90
CC#CCC([NH2+]CC1=CC=CC(C(C)(C)C)=C1OC)C(=O)[O-]	REAL300011836094	0	47	0.0	-23.37	357.25	9.72	-13.65
CC#CCC([NH2+]CC1=NC(Br)=CN1C)C(=O)[O-]	REAL300011836095	0	31	0.0	-36.29	288.27	6.93	-29.36
CC#CCC(NCC1=NC(Br)=CN1C)C(=O)[O-]	REAL300011836095	1	30	-1.0	-50.88	286.84	5.83	-45.05
CC#CCC([NH2+]CC1=CC(C(C)(C)OCC2=CC=CC=C2)=CC=C1F)C(=O)[O-]	REAL300011836096	0	54	0.0	-28.21	436.27	12.88	-15.33
CC#CCC([NH2+]CC1=CC2=CC=C(F)C=C2NC1=O)C(=O)[O-]	REAL300011836097	0	37	0.0	-26.97	321.49	7.13	-19.84
CC#CCC([NH2+]CC1=C(C)C=C(C)C(Br)=C1C)C(=O)[O-]	REAL300011836098	0	40	0.0	-27.45	332.20	10.12	-17.33
CC#CCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300011836099	0	41	0.0	-31.63	362.24	8.83	-22.80
CC#CCC([NH2+]CC1=CC=CC(NC(=O)OC(C)(C)C)=C1)C(=O)[O-]	REAL300011836100	0	48	0.0	-31.72	388.13	8.30	-23.42
CC#CCC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300011836101	0	37	0.0	-30.15	328.98	8.84	-21.31
CC#CCC([NH2+]CC1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300011836102	0	35	0.0	-25.60	318.79	8.00	-17.60
CC#CCC(NCC1=C(OC)C=CC(Br)=C1F)C(=O)[O-]	REAL300011836102	1	34	-1.0	-53.13	319.98	6.94	-46.19
CC#CCC([NH2+]CC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300011836103	0	34	0.0	-24.85	326.64	9.54	-15.31
CC#CCC(NCC1=C(F)C=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300011836103	1	33	-1.0	-47.26	327.51	8.49	-38.77
CC#CCC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C(=O)[O-]	REAL300011836105	0	37	0.0	-27.25	323.73	10.70	-16.55
CC#CCC([NH2+]CC1=CC=C(Cl)C(Br)=C1F)C(=O)[O-]	REAL300011836106	0	31	0.0	-33.51	303.86	9.09	-24.42
CC#CCC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C(=O)[O-]	REAL300011836107	0	48	0.0	-23.97	372.49	10.77	-13.20
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300011836108	0	42	0.0	-29.89	369.32	11.35	-18.54
CC#CCC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300011836109	0	51	0.0	-26.59	393.23	11.45	-15.14
CC#CCC([NH2+]CC1=CC=CC=C1OCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300011836110	0	45	0.0	-26.64	387.90	11.74	-14.90
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1)C(=O)[O-]	REAL300011836111	0	46	0.0	-32.30	382.10	10.14	-22.16
CC#CCC([NH2+]CC1=CC=C2C(=C1)CCCN2CC)C(=O)[O-]	REAL300011836112	0	46	0.0	-27.18	352.84	9.00	-18.18
CC#CCC([NH2+]CC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300011836113	0	31	0.0	-27.99	288.78	6.27	-21.72
CC#CCC(NCC1=C(Br)N(C)N=C1)C(=O)[O-]	REAL300011836113	1	30	-1.0	-46.44	288.15	5.20	-41.24
CC#CCC([NH2+]CC1=CC=C(OC2=CC=CC=C2OC)C=C1)C(=O)[O-]	REAL300011836114	0	46	0.0	-31.41	383.19	10.76	-20.65
CC#CCC([NH2+]CC1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300011836115	0	35	0.0	-25.54	319.76	8.08	-17.46
CC#CCC(NCC1=C(F)C=CC(Br)=C1OC)C(=O)[O-]	REAL300011836115	1	34	-1.0	-47.83	319.69	7.02	-40.81
CC#CCC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300011836116	0	44	0.0	-29.37	375.18	12.77	-16.60
CC#CCC([NH2+]CC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300011836117	0	35	0.0	-25.63	327.48	8.36	-17.27
CC#CCC(NCC1=C(Br)C=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300011836117	1	34	-1.0	-43.95	325.66	7.26	-36.69
CC#CCC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C(=O)[O-]	REAL300011836118	0	35	0.0	-28.71	322.45	9.52	-19.19
CC#CCC([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C(=O)[O-]	REAL300011836119	0	45	0.0	-28.11	391.90	11.78	-16.33
CC#CCC([NH2+]CC1=CC=C2C(=C1)CCC21OCCO1)C(=O)[O-]	REAL300011836120	0	44	0.0	-30.98	359.25	8.73	-22.25
CC#CCC([NH2+]CC1=CC=C(Br)C=C1OC(F)F)C(=O)[O-]	REAL300011836121	0	35	0.0	-30.40	323.92	8.29	-22.11
CC#CCC([NH2+]CC1=C(C)C2=CC=C(F)C=C2S1)C(=O)[O-]	REAL300011836122	0	37	0.0	-30.16	324.45	10.11	-20.05
CC#CCC([NH2+]CC1=C(OC)C=C(OC)C2=CC=C(Cl)N=C21)C(=O)[O-]	REAL300011836123	0	44	0.0	-26.80	379.18	7.77	-19.03
CC#CCC([NH2+]CC1=C(F)C=CC(C)=C1Br)C(=O)[O-]	REAL300011836124	0	34	0.0	-24.05	303.18	9.01	-15.04
CC#CCC(NCC1=C(F)C=CC(C)=C1Br)C(=O)[O-]	REAL300011836124	1	33	-1.0	-49.24	306.22	8.04	-41.20
CC#CCC([NH2+]CC1=CC=CC=C1OCCC1CCCCC1)C(=O)[O-]	REAL300011836125	0	54	0.0	-24.29	416.03	12.27	-12.02
CC#CCC([NH2+]CC1=CC=CC(OCC2CCC2)=C1)C(=O)[O-]	REAL300011836126	0	45	0.0	-27.16	365.65	10.41	-16.75
CC#CCC([NH2+]CC1=CC=C(OCCO)C(OC)=C1)C(=O)[O-]	REAL300011836127	0	43	0.0	-35.26	358.03	5.10	-30.16
CC#CCC([NH2+]CC1=CC=C(OC)C(OCCO)=C1)C(=O)[O-]	REAL300011836128	0	43	0.0	-35.36	358.03	5.10	-30.26
CC#CCC([NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C(=O)[O-]	REAL300011836129	0	41	0.0	-35.54	349.26	6.99	-28.55
CC#CCC([NH2+]CC1=CC=C(OCC2CCCO2)C(OC)=C1)C(=O)[O-]	REAL300011836130	0	50	0.0	-35.47	403.73	8.69	-26.78
CC#CCC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C(=O)[O-]	REAL300011836131	0	34	0.0	-34.10	299.09	9.15	-24.95
CC#CCC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300011836132	0	38	0.0	-31.65	340.96	8.84	-22.81
CC#CCC(NCC1=C(F)C=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300011836132	1	37	-1.0	-55.21	332.94	7.51	-47.70
CC#CCC([NH2+]CC1=CC=C(C2=CN=C(C(F)F)S2)C=C1)C(=O)[O-]	REAL300011836133	0	40	0.0	-31.63	363.38	9.80	-21.83
CC#CCC([NH2+]CC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300011836134	0	34	0.0	-27.20	308.83	7.16	-20.04
CC#CCC(NCC1=C(Br)C=CC2=C1OCO2)C(=O)[O-]	REAL300011836134	1	33	-1.0	-50.39	309.73	6.05	-44.34
CC#CCC([NH2+]CC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300011836135	0	34	0.0	-31.01	302.29	5.05	-25.96
CC#CCC(NCC1=C(S(C)(=O)=O)C=CS1)C(=O)[O-]	REAL300011836135	1	33	-1.0	-51.03	307.47	3.57	-47.46
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C(=O)[O-]	REAL300011836136	0	34	0.0	-33.47	310.35	9.08	-24.39
CC#CCC([NH2+]CC1=CC(S(C)(=O)=O)=CS1)C(=O)[O-]	REAL300011836137	0	34	0.0	-35.65	318.28	4.66	-30.99
CC#CCC([NH2+]CC1=CN(C2=CC=CC(Cl)=C2)N=C1)C(=O)[O-]	REAL300011836138	0	38	0.0	-31.00	339.46	9.72	-21.28
CC#CCC([NH2+]CC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300011836139	0	31	0.0	-26.42	314.87	8.86	-17.56
CC#CCC(NCC1=C(Br)C=C(C(F)(F)F)S1)C(=O)[O-]	REAL300011836139	1	30	-1.0	-40.17	316.23	7.78	-32.39
CC#CCC([NH2+]CC1=CC=C(Br)C=C1OC1CC1)C(=O)[O-]	REAL300011836140	0	39	0.0	-29.48	345.21	9.67	-19.81
CC#CCC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1N(C)C)C(=O)[O-]	REAL300011836141	0	41	0.0	-28.75	345.42	8.69	-20.06
CC#CCC([NH2+]CC1=CC=CC(Cl)=C1C(F)(F)F)C(=O)[O-]	REAL300011836142	0	34	0.0	-33.61	307.56	9.54	-24.07
CC#CCC([NH2+]CC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300011836143	0	31	0.0	-26.00	304.79	9.06	-16.94
CC#CCC(NCC1=C(F)C=CC(Br)=C1Cl)C(=O)[O-]	REAL300011836143	1	30	-1.0	-46.22	304.66	7.94	-38.28
CC#CCC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C(=O)[O-]	REAL300011836144	0	38	0.0	-32.26	331.29	9.34	-22.92
CC#CCC([NH2+]CC1=C(C)N=C(OC)C(Cl)=C1C)C(=O)[O-]	REAL300011836145	0	40	0.0	-26.85	336.29	6.12	-20.73
CC#CCC([NH2+]CC1=CN(C2CCCCC2)N=C1C)C(=O)[O-]	REAL300011836146	0	47	0.0	-30.02	370.30	9.69	-20.33
CC#CCC([NH2+]CC1=CN(C2CCOCC2)N=C1C)C(=O)[O-]	REAL300011836147	0	45	0.0	-30.78	361.06	7.29	-23.49
CC#CCC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C(=O)[O-]	REAL300011836148	0	36	0.0	-26.75	327.09	9.19	-17.56
CC#CCC([NH2+]CC1=CC(S(N)(=O)=O)=CS1)C(=O)[O-]	REAL300011836149	0	33	0.0	-35.61	311.86	2.06	-33.55
CC#CCC([NH2+]CC1=CC=C(C(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300011836150	0	46	0.0	-34.07	370.76	7.51	-26.56
CC#CCC([NH2+]CC1=CC(C)=CC(Br)=C1F)C(=O)[O-]	REAL300011836151	0	34	0.0	-31.49	310.42	9.29	-22.20
CC#CCC([NH2+]CC1=CC=C(Br)C(Cl)=C1F)C(=O)[O-]	REAL300011836152	0	31	0.0	-33.43	304.01	9.10	-24.33
CC#CCC([NH2+]CC1=CC=CC(OC)=C1Br)C(=O)[O-]	REAL300011836153	0	35	0.0	-29.94	305.84	7.81	-22.13
CC#CCC([NH2+]CC1=CC(Br)=C(OC)C=C1F)C(=O)[O-]	REAL300011836154	0	35	0.0	-30.26	320.50	8.08	-22.18
CC#CCC([NH2+]CC1=CC=C([N+](=O)[O-])C(OC2CC2)=C1)C(=O)[O-]	REAL300011836155	0	41	0.0	-39.10	352.62	10.47	-28.63
CC#CCC([NH2+]CC1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300011836156	0	34	0.0	-24.88	298.51	9.10	-15.78
CC#CCC([NH2+]CC1=CC=C2N=C(OC)SC2=C1)C(=O)[O-]	REAL300011836157	0	37	0.0	-30.80	329.14	5.84	-24.96
CC#CCC([NH2+]CC1=CC(F)=CC(Cl)=C1Cl)C(=O)[O-]	REAL300011836158	0	31	0.0	-28.58	298.28	9.04	-19.54
CC#CCC([NH2+]CC1=CC=CC(OCC(C)(C)C)=C1)C(=O)[O-]	REAL300011836159	0	47	0.0	-26.02	375.69	10.32	-15.70
CC#CCC([NH2+]CC1=CC(Br)=CC(Cl)=C1F)C(=O)[O-]	REAL300011836160	0	31	0.0	-29.76	305.88	9.13	-20.63
CC#CCC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1Cl)C(=O)[O-]	REAL300011836161	0	34	0.0	-26.65	317.62	9.41	-17.24
CC#CCC([NH2+]CC1=CC=C2CN(C(=O)OC(C)(C)C)CCC2=C1)C(=O)[O-]	REAL300011836162	0	55	0.0	-33.12	431.95	11.26	-21.86
CC#CCC([NH2+]CC1=C(C)C=C(Br)C=C1C)C(=O)[O-]	REAL300011836163	0	37	0.0	-25.71	315.26	9.57	-16.14
CC#CCC([NH2+]CC1=C(O)C=CC(F)=C1Br)C(=O)[O-]	REAL300011836164	0	32	0.0	-24.18	298.19	5.75	-18.43
CC#CCC([NH2+]CC1=C([O-])C=CC(F)=C1Br)C(=O)[O-]	REAL300011836164	1	31	-1.0	-51.82	295.95	6.56	-45.26
CC#CCC([NH2+]CC1=C(C)C=C(Br)S1)C(=O)[O-]	REAL300011836165	0	31	0.0	-24.27	292.84	8.38	-15.89
CC#CCC([NH2+]CC1=NC2=CC(Cl)=CC=C2N1C(C)C)C(=O)[O-]	REAL300011836166	0	43	0.0	-34.51	364.19	10.14	-24.37
CC#CCC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300011836167	0	44	0.0	-29.55	368.84	12.52	-17.03
CC#CCC([NH2+]CC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300011836168	0	31	0.0	-27.33	310.09	9.54	-17.79
CC#CCC(NCC1=CC(Cl)=CC(Cl)=C1Br)C(=O)[O-]	REAL300011836168	1	30	-1.0	-40.54	315.73	8.49	-32.05
CC#CCC([NH2+]CC1=CC=C(NC(=O)CCCC)C=C1)C(=O)[O-]	REAL300011836169	0	47	0.0	-31.17	385.45	9.32	-21.85
CC#CCC([NH2+]CC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300011836170	0	28	0.0	-22.64	292.63	8.17	-14.47
CC#CCC(NCC1=CSC(Br)=C1Br)C(=O)[O-]	REAL300011836170	1	27	-1.0	-40.52	294.59	7.12	-33.40
CC#CCC([NH2+]CC1=CC=CC(Br)=C1Br)C(=O)[O-]	REAL300011836171	0	31	0.0	-29.55	296.20	9.01	-20.54
CC#CCC([NH2+]CC1=C(C)C(Br)=C(Br)S1)C(=O)[O-]	REAL300011836172	0	31	0.0	-26.24	313.10	8.94	-17.30
CC#CCC([NH2+]CC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300011836173	0	30	0.0	-23.41	292.01	7.20	-16.21
CC#CCC(NCC1=CC(Cl)=CN=C1Br)C(=O)[O-]	REAL300011836173	1	29	-1.0	-43.05	292.02	6.10	-36.95
CC#CCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)C(=O)[O-]	REAL300011836174	0	52	0.0	-25.39	394.02	10.22	-15.17
CC#CCC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C(=O)[O-]	REAL300011836175	0	35	0.0	-29.00	325.92	8.33	-20.67
CC#CCC([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C(=O)[O-]	REAL300011836176	0	41	0.0	-31.51	354.62	10.88	-20.63
CC#CCC([NH2+]CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1)C(=O)[O-]	REAL300011836177	0	53	0.0	-28.05	424.99	12.97	-15.08
CC#CCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1Br)C(=O)[O-]	REAL300011836178	0	34	0.0	-29.94	318.44	9.55	-20.39
CC#CCC([NH2+]CC1=CC2=NC=C(Br)C=C2O1)C(=O)[O-]	REAL300011836179	0	33	0.0	-29.39	310.00	7.37	-22.02
CC#CCC([NH2+]CC1=C2SC(C(F)F)=NC2=CC=C1)C(=O)[O-]	REAL300011836180	0	36	0.0	-34.40	331.80	8.40	-26.00
CC#CCC([NH2+]CC1=CC2=C(CCOC2)N=C1Cl)C(=O)[O-]	REAL300011836181	0	38	0.0	-25.68	326.97	6.70	-18.98
CC#CCC([NH2+]CC1=CC2=CC(Br)=CC=C2S1)C(=O)[O-]	REAL300011836182	0	34	0.0	-27.46	324.70	10.21	-17.25
CC#CCC(NCC1=NC=C(CC2=CC=CC=C2)N1C)C(=O)[O-]	REAL300011836183	0	43	-1.0	-46.01	367.47	9.56	-36.45
CC#CCC([NH2+]CC1=CC=C(Br)C=C1Br)C(=O)[O-]	REAL300011836184	0	31	0.0	-27.84	298.48	9.08	-18.76
CC#CCC([NH2+]CC1=CC(Br)=CC(F)=C1F)C(=O)[O-]	REAL300011836185	0	31	0.0	-31.75	298.15	8.79	-22.96
CC#CCC([NH2+]CC1=CC(Cl)=C(Br)C=C1F)C(=O)[O-]	REAL300011836186	0	31	0.0	-30.21	306.71	9.19	-21.02
CC#CCC([NH2+]CC1=CC(Br)=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300011836187	0	33	0.0	-34.93	314.24	9.31	-25.62
CC#CCC([NH2+]CC1=CC=C(Br)C(F)=C1OC)C(=O)[O-]	REAL300011836188	0	35	0.0	-25.38	320.28	8.04	-17.34
CC#CCC([NH2+]CC1=CC=CC(C(F)(F)F)=C1F)C(=O)[O-]	REAL300011836189	0	34	0.0	-25.56	307.38	9.00	-16.56
CC#CCC([NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)C(=O)[O-]	REAL300011836190	0	49	0.0	-29.82	390.41	9.68	-20.14
CC#CCC([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C(=O)[O-]	REAL300011836191	0	37	0.0	-31.11	328.45	10.75	-20.36
CC#CCC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C(=O)[O-]	REAL300011836192	0	44	0.0	-29.25	352.33	5.02	-24.23
CC#CCC([NH2+]CC1=CC=C(CN2C=C(Br)C=N2)C=C1)C(=O)[O-]	REAL300011836193	0	41	0.0	-31.02	369.37	10.25	-20.77
CC#CCC([NH2+]CC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300011836194	0	31	0.0	-26.71	304.45	9.21	-17.50
CC#CCC(NCC1=C(F)C=C(I)C=C1F)C(=O)[O-]	REAL300011836194	1	30	-1.0	-44.60	303.03	8.10	-36.50
CC#CCC([NH2+]CC1=C(OC)C=CC(OC)=C1OC)C(=O)[O-]	REAL300011836195	0	43	0.0	-26.27	351.87	6.63	-19.64
CC#CCC(NCC1=C(OC)C=CC(OC)=C1OC)C(=O)[O-]	REAL300011836195	1	42	-1.0	-53.64	354.23	5.58	-48.06
CC#CCC([NH2+]CC1=CC=CC=C1C(=O)N1CCCCC1)C(=O)[O-]	REAL300011836196	0	48	0.0	-36.46	374.47	10.23	-26.23
CC#CCC([NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1F)C(=O)[O-]	REAL300011836197	0	45	0.0	-24.97	377.13	11.48	-13.49
CC#CCC([NH2+]CC1=C(Br)C=CC(OC)=C1O)C(=O)[O-]	REAL300011836198	0	36	0.0	-28.59	321.49	5.70	-22.89
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836199	0	42	0.0	-27.96	343.71	11.05	-16.91
CC1=CC=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836200	0	42	0.0	-27.73	343.71	11.05	-16.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2C=C1	REAL300011836201	0	41	0.0	-32.07	348.82	10.27	-21.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CC2C=CC1C2	REAL300011836202	0	41	0.0	-30.46	325.70	10.48	-19.98
CC(C)(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836203	0	48	0.0	-24.99	380.49	12.66	-12.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CC=C1	REAL300011836204	0	43	0.0	-27.96	363.81	9.77	-18.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)O1	REAL300011836205	0	33	0.0	-32.43	310.93	8.81	-23.62
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836206	0	46	0.0	-33.93	389.25	11.66	-22.27
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(F)F	REAL300011836207	0	44	0.0	-33.11	377.03	9.43	-23.68
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836208	0	47	0.0	-33.32	389.13	10.06	-23.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300011836209	0	50	0.0	-28.32	414.26	13.68	-14.64
CCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836210	0	52	0.0	-31.72	426.80	12.47	-19.25
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836211	0	42	0.0	-28.10	339.26	11.08	-17.02
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836212	0	42	0.0	-29.10	346.94	11.15	-17.95
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Br	REAL300011836213	0	40	0.0	-34.00	358.44	9.91	-24.09
CC(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836214	0	46	0.0	-30.47	379.19	10.83	-19.64
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836215	0	53	0.0	-33.18	432.12	11.65	-21.53
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836216	0	50	0.0	-33.17	410.62	10.87	-22.30
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836217	0	48	0.0	-33.51	402.03	10.65	-22.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300011836218	0	43	0.0	-29.54	387.79	12.27	-17.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300011836219	0	43	0.0	-24.95	381.58	12.78	-12.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300011836220	0	46	0.0	-36.76	395.07	11.54	-25.22
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836221	0	45	0.0	-27.88	379.57	11.90	-15.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300011836222	0	42	0.0	-23.46	375.68	11.19	-12.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC(F)(F)F	REAL300011836223	0	40	0.0	-28.97	349.00	10.19	-18.78
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300011836224	0	40	0.0	-31.63	364.09	11.38	-20.25
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C([N+](=O)[O-])C=C1O	REAL300011836225	0	43	0.0	-23.62	364.77	8.07	-15.55
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836226	0	40	0.0	-25.92	349.87	9.64	-16.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300011836227	0	40	0.0	-32.30	355.84	9.79	-22.51
N#CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836228	0	37	0.0	-32.80	325.28	10.71	-22.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C(F)C=C1	REAL300011836229	0	43	0.0	-29.01	370.52	9.84	-19.17
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836230	0	46	0.0	-31.78	386.46	10.49	-21.29
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CS1	REAL300011836231	0	40	0.0	-31.95	345.89	8.70	-23.25
COC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836232	0	47	0.0	-30.33	395.73	9.13	-21.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC2=CC=CC=C12	REAL300011836233	0	39	0.0	-29.20	343.86	11.28	-17.92
CCOC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=NN1CC(C)C	REAL300011836234	0	55	0.0	-30.39	444.33	10.52	-19.87
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300011836235	0	42	0.0	-31.20	355.86	10.49	-20.71
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])O2)C=C1	REAL300011836236	0	46	0.0	-28.98	392.47	12.43	-16.55
CC1=CC=C(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836237	0	43	0.0	-30.74	360.08	9.83	-20.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CN=C1	REAL300011836238	0	42	0.0	-36.15	359.74	7.97	-28.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300011836239	0	51	0.0	-34.52	419.27	10.49	-24.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)S1	REAL300011836240	0	33	0.0	-23.56	311.69	10.06	-13.50
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300011836241	0	43	0.0	-25.24	378.67	13.18	-12.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=CC=CN=C21	REAL300011836242	0	41	0.0	-30.06	344.20	10.86	-19.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300011836243	0	49	0.0	-28.24	412.53	11.63	-16.61
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836244	0	45	0.0	-27.89	379.43	8.96	-18.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300011836245	0	43	0.0	-33.22	366.90	11.15	-22.07
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300011836246	0	42	0.0	-35.12	361.84	12.47	-22.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300011836247	0	43	0.0	-31.28	387.07	12.95	-18.33
CCC1=CC=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836248	0	38	-1.0	-45.78	329.79	9.90	-35.88
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836248	1	39	0.0	-31.61	334.00	9.72	-21.89
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1F	REAL300011836249	0	36	0.0	-32.19	322.79	9.96	-22.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300011836250	0	39	0.0	-27.69	361.74	11.37	-16.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1Cl	REAL300011836251	0	36	0.0	-25.77	326.80	10.42	-15.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300011836252	0	36	0.0	-33.87	331.12	10.51	-23.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300011836253	0	39	0.0	-36.13	352.85	11.00	-25.13
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836254	0	43	0.0	-32.60	361.17	10.22	-22.38
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836255	0	39	0.0	-29.22	335.24	10.66	-18.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300011836256	0	36	0.0	-28.90	339.34	10.80	-18.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300011836257	0	39	0.0	-29.63	335.20	11.26	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=C(F)C(F)=C1	REAL300011836258	0	36	0.0	-34.87	328.87	10.18	-24.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300011836259	0	39	0.0	-33.67	355.98	10.93	-22.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C(F)(F)F)=CC=C1F	REAL300011836260	0	39	0.0	-24.70	348.00	11.39	-13.31
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1OC	REAL300011836261	0	44	0.0	-31.17	376.75	10.04	-21.13
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300011836262	0	39	0.0	-31.50	345.82	11.48	-20.02
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(F)=C1	REAL300011836263	0	36	0.0	-33.95	331.12	10.52	-23.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300011836264	0	40	0.0	-30.26	365.46	10.02	-20.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300011836265	0	46	0.0	-42.53	388.48	8.58	-33.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CN=C1Cl	REAL300011836266	0	35	0.0	-26.74	317.74	8.48	-18.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300011836267	0	49	0.0	-34.03	415.99	11.50	-22.53
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836268	0	45	0.0	-30.37	375.08	9.62	-20.75
CC(C)C1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836269	0	45	0.0	-26.89	387.27	9.86	-17.03
COCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836270	0	47	0.0	-35.38	395.81	9.36	-26.02
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836271	0	40	0.0	-34.02	354.06	9.80	-24.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300011836272	0	41	0.0	-29.70	371.10	8.79	-20.91
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836273	0	48	0.0	-25.91	388.11	11.47	-14.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300011836274	0	43	0.0	-35.10	379.46	10.64	-24.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300011836275	0	42	0.0	-28.92	352.78	9.20	-19.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300011836276	0	45	0.0	-29.99	367.51	9.93	-20.06
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836277	0	48	0.0	-33.47	395.63	12.06	-21.41
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836278	0	46	0.0	-32.71	383.70	10.89	-21.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300011836279	0	43	0.0	-30.96	375.92	12.57	-18.39
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300011836280	0	50	0.0	-28.73	402.62	12.14	-16.59
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836281	0	46	0.0	-28.30	374.21	11.21	-17.09
CC1=CC=C(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)C=C1	REAL300011836282	0	45	0.0	-33.24	394.68	11.41	-21.83
CC(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836283	0	41	0.0	-26.38	358.61	8.90	-17.48
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836284	0	44	0.0	-22.14	371.15	9.88	-12.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300011836285	0	39	0.0	-27.04	366.72	9.60	-17.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300011836286	0	43	0.0	-30.10	385.09	12.71	-17.39
CN(C)C(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836287	0	50	0.0	-33.74	414.55	10.77	-22.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300011836288	0	50	0.0	-26.66	401.40	12.18	-14.48
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=C1	REAL300011836289	0	46	0.0	-24.42	393.69	13.79	-10.63
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836290	0	40	0.0	-24.82	366.70	10.76	-14.06
CCOC1=C(OC)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836291	0	51	0.0	-34.20	423.62	10.05	-24.15
COCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836292	0	50	0.0	-34.54	416.34	10.10	-24.44
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN=C1Cl	REAL300011836293	0	38	0.0	-35.33	341.34	9.10	-26.23
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836294	0	44	0.0	-26.23	371.81	9.24	-16.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300011836295	0	40	0.0	-29.30	361.79	10.05	-19.25
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300011836296	0	49	0.0	-31.75	412.37	11.70	-20.05
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=C1	REAL300011836297	0	45	0.0	-30.68	396.24	11.70	-18.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300011836298	0	41	0.0	-28.67	366.32	11.03	-17.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300011836299	0	41	0.0	-27.06	353.10	10.48	-16.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300011836300	0	41	0.0	-28.52	354.71	10.54	-17.98
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300011836301	0	41	0.0	-27.64	364.10	10.94	-16.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300011836302	0	43	0.0	-26.47	379.16	12.39	-14.08
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836303	0	46	0.0	-24.55	391.62	12.97	-11.58
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])O2)C=C1	REAL300011836304	0	49	0.0	-28.83	413.97	13.21	-15.62
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC(F)F)=C1	REAL300011836305	0	44	0.0	-30.74	377.23	8.92	-21.82
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=C1	REAL300011836306	0	43	0.0	-26.37	361.78	10.14	-16.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(Cl)C=C1	REAL300011836307	0	40	0.0	-34.32	358.60	11.70	-22.62
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836308	0	42	0.0	-27.60	355.72	11.05	-16.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=COC2=CC=CC=C12	REAL300011836309	0	39	0.0	-28.89	332.36	10.71	-18.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300011836310	0	44	0.0	-30.34	377.31	11.57	-18.77
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Br	REAL300011836311	0	39	0.0	-28.63	348.02	11.13	-17.50
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=C1	REAL300011836312	0	38	0.0	-32.63	324.96	8.77	-23.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300011836313	0	40	0.0	-33.44	350.66	11.30	-22.14
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Br	REAL300011836314	0	39	0.0	-29.71	347.19	11.10	-18.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300011836315	0	43	0.0	-35.34	368.76	11.11	-24.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)SC=C1	REAL300011836316	0	33	0.0	-21.58	308.61	9.87	-11.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300011836317	0	41	0.0	-31.07	363.31	10.21	-20.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300011836318	0	40	0.0	-26.34	342.81	10.35	-15.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300011836319	0	40	0.0	-32.56	348.16	10.00	-22.56
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836320	0	42	0.0	-34.08	358.82	7.58	-26.50
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=CC=CN=C12	REAL300011836321	0	44	0.0	-33.55	368.94	11.10	-22.45
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300011836322	0	39	0.0	-29.76	343.16	11.01	-18.75
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300011836323	0	38	0.0	-31.44	339.58	9.39	-22.05
CCCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836324	0	45	0.0	-29.36	372.91	12.16	-17.20
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836325	0	50	0.0	-33.58	407.80	11.00	-22.58
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(SC)C=C1OC	REAL300011836326	0	48	0.0	-30.84	399.93	9.99	-20.85
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])SC2=C1	REAL300011836327	0	42	0.0	-29.17	370.20	8.76	-20.41
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836328	0	42	0.0	-34.36	372.53	10.82	-23.54
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C#N	REAL300011836329	0	41	0.0	-40.08	358.24	9.66	-30.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300011836330	0	40	0.0	-31.97	357.53	11.18	-20.79
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836331	0	42	0.0	-28.21	360.38	11.52	-16.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300011836332	0	40	0.0	-34.57	354.01	9.59	-24.98
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=C1	REAL300011836333	0	42	0.0	-27.85	357.23	8.23	-19.62
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836334	0	42	0.0	-25.55	354.26	11.82	-13.73
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(Cl)=C1OC	REAL300011836335	0	44	0.0	-32.65	389.54	9.70	-22.95
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC(C)C	REAL300011836336	0	53	0.0	-32.83	430.73	11.55	-21.28
CCCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836337	0	50	0.0	-33.16	410.63	10.87	-22.29
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)S1	REAL300011836338	0	33	0.0	-23.51	316.32	10.16	-13.35
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(Cl)=C1OC	REAL300011836339	0	47	0.0	-29.93	405.01	11.09	-18.84
C=CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836340	0	44	0.0	-32.74	374.07	10.82	-21.92
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(C)C	REAL300011836341	0	50	0.0	-25.77	404.42	10.75	-15.02
CCOC1=C(Cl)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836342	0	47	0.0	-32.56	411.40	10.66	-21.90
CCCOC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC=C1OCC	REAL300011836343	0	53	0.0	-29.27	432.28	11.92	-17.35
CCCCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836344	0	53	0.0	-33.03	432.12	11.65	-21.38
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC(F)F	REAL300011836345	0	44	0.0	-36.21	377.03	9.44	-26.77
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(F)F	REAL300011836346	0	47	0.0	-32.78	398.89	10.35	-22.43
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300011836347	0	46	0.0	-32.60	387.18	10.98	-21.62
CCOC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OC(C)C2	REAL300011836348	0	51	0.0	-26.39	411.50	11.21	-15.18
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=C1OCCO2	REAL300011836349	0	46	0.0	-35.38	383.56	9.02	-26.36
CCCCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836350	0	48	0.0	-29.61	412.79	11.05	-18.56
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(F)F	REAL300011836351	0	47	0.0	-29.50	398.69	10.47	-19.03
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836352	0	45	0.0	-27.28	358.34	11.68	-15.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300011836353	0	43	0.0	-24.54	372.27	13.11	-11.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300011836354	0	43	0.0	-40.14	383.38	12.02	-28.12
CC(C)(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300011836355	0	45	0.0	-32.17	357.82	11.69	-20.48
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2CCCCC2)=N1	REAL300011836356	0	52	0.0	-31.92	413.37	11.44	-20.48
CC1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836357	0	45	0.0	-30.48	345.64	10.60	-19.88
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836358	0	48	0.0	-34.22	388.77	12.87	-21.35
CCC1CCCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300011836359	0	48	0.0	-32.18	362.34	11.16	-21.02
CC1(C)CCC2=C(C1)SC(CNC(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836360	0	47	-1.0	-52.70	391.73	9.37	-43.33
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836360	1	48	0.0	-26.70	394.14	10.64	-16.06
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836361	0	42	0.0	-28.42	360.66	11.49	-16.93
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=C1	REAL300011836362	0	45	0.0	-29.27	377.00	11.59	-17.68
CCCC1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836363	0	51	0.0	-30.27	390.48	12.37	-17.90
CC1CCCCC1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836364	0	45	0.0	-30.20	339.98	10.52	-19.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300011836365	0	43	0.0	-28.43	380.84	10.28	-18.15
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300011836366	0	43	0.0	-36.70	366.89	12.27	-24.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300011836367	0	43	0.0	-25.91	373.10	12.34	-13.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300011836368	0	42	0.0	-33.35	370.32	9.68	-23.67
CCCCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2O1	REAL300011836369	0	51	0.0	-29.99	420.45	13.38	-16.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300011836370	0	45	0.0	-34.86	389.70	10.35	-24.51
COC1=CC=C(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836371	0	43	0.0	-30.40	360.39	9.90	-20.50
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836372	0	40	0.0	-35.59	344.25	9.32	-26.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCC(C(F)(F)F)CC1	REAL300011836373	0	45	0.0	-32.42	358.30	10.75	-21.67
CC(C)C1CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCO1	REAL300011836374	0	49	0.0	-30.64	378.14	9.80	-20.84
CC1(C)CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836375	0	48	0.0	-31.86	364.84	11.21	-20.65
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836376	0	43	0.0	-32.64	371.50	11.85	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C([O-])C=CC(Cl)=C1F	REAL300011836377	0	36	-1.0	-52.99	336.11	8.44	-44.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(O)C=CC(Cl)=C1F	REAL300011836377	1	37	0.0	-28.10	341.00	7.73	-20.37
COC1(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCCCC1	REAL300011836378	0	46	0.0	-26.49	351.52	9.29	-17.20
CCN1N=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300011836379	0	45	0.0	-28.06	382.58	10.65	-17.41
COCCC1(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CCCCC1	REAL300011836380	0	52	0.0	-29.47	385.36	9.96	-19.51
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836381	0	46	0.0	-31.73	383.81	10.91	-20.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2O1	REAL300011836382	0	39	0.0	-24.72	332.33	10.86	-13.86
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300011836383	0	43	0.0	-33.65	370.05	11.87	-21.78
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC(C)C	REAL300011836384	0	50	0.0	-33.25	407.66	10.73	-22.52
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC	REAL300011836385	0	53	0.0	-32.93	432.48	11.79	-21.14
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836386	0	41	0.0	-39.87	355.26	11.25	-28.62
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836387	0	46	0.0	-30.63	379.14	10.84	-19.79
CC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300011836388	0	57	0.0	-30.93	440.67	14.27	-16.66
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1F	REAL300011836389	0	39	0.0	-31.48	336.59	10.69	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300011836390	0	40	0.0	-29.99	341.23	9.99	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Br)C=CS1	REAL300011836391	0	33	0.0	-24.24	313.97	9.97	-14.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300011836392	0	49	0.0	-27.75	391.05	9.44	-18.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1Br	REAL300011836393	0	36	0.0	-28.45	330.88	10.43	-18.02
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836394	0	48	0.0	-28.74	388.84	12.60	-16.14
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C2)C=C1	REAL300011836395	0	49	0.0	-30.91	406.44	13.95	-16.96
COC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836396	0	40	0.0	-26.17	355.74	9.74	-16.43
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836397	0	42	0.0	-35.89	364.05	10.68	-25.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300011836398	0	36	0.0	-30.12	340.41	10.76	-19.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300011836399	0	36	0.0	-32.03	334.04	10.47	-21.56
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836400	0	42	0.0	-26.59	340.29	11.02	-15.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CO1	REAL300011836401	0	33	0.0	-31.28	312.31	8.76	-22.52
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836402	0	49	0.0	-29.55	403.77	13.99	-15.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300011836403	0	40	0.0	-33.03	347.78	9.53	-23.50
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC	REAL300011836404	0	50	0.0	-33.19	410.98	10.99	-22.20
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300011836405	0	36	0.0	-27.50	332.15	10.53	-16.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300011836406	0	39	0.0	-35.29	360.42	11.36	-23.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1Br	REAL300011836407	0	36	0.0	-25.26	330.38	10.52	-14.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300011836408	0	40	0.0	-28.29	350.45	10.13	-18.16
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300011836409	0	36	0.0	-31.75	333.11	10.40	-21.35
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836410	0	50	0.0	-27.21	412.54	13.39	-13.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300011836411	0	36	0.0	-32.47	323.64	10.00	-22.47
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1F	REAL300011836412	0	36	0.0	-27.12	330.28	10.48	-16.64
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C12	REAL300011836413	0	46	0.0	-29.95	373.70	11.32	-18.63
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NNC=C1C1=CC=CC=C1	REAL300011836414	0	43	0.0	-29.44	364.90	9.83	-19.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2=CC=CC=C2)C=NN1	REAL300011836414	1	43	0.0	-28.36	369.13	9.80	-18.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1F	REAL300011836415	0	36	0.0	-28.38	321.71	10.07	-18.31
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836416	0	42	0.0	-27.74	356.28	10.34	-17.40
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836417	0	39	0.0	-32.67	337.86	6.56	-26.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCC2=C1	REAL300011836418	0	41	0.0	-27.08	340.32	10.18	-16.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(Br)=C1	REAL300011836419	0	33	0.0	-31.80	321.47	9.68	-22.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300011836420	0	46	0.0	-32.41	385.05	13.27	-19.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300011836421	0	49	0.0	-32.23	412.26	11.46	-20.77
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300011836422	0	47	0.0	-31.34	384.76	9.79	-21.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300011836423	0	40	0.0	-29.15	339.72	9.97	-19.18
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836424	0	39	0.0	-24.97	321.89	10.89	-14.08
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C(F)=C1	REAL300011836425	0	36	0.0	-33.82	335.53	10.62	-23.20
CC1=NC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836426	0	38	0.0	-29.23	335.89	8.33	-20.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300011836427	0	45	0.0	-29.92	380.25	11.83	-18.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300011836428	0	45	0.0	-30.67	373.67	11.97	-18.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300011836429	0	45	0.0	-32.13	377.11	11.57	-20.56
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836430	0	51	0.0	-28.16	401.82	10.49	-17.67
C[NH+]1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)CC1	REAL300011836431	0	54	1.0	-70.90	422.21	11.10	-59.80
CN1CCN(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)CC1	REAL300011836431	1	53	0.0	-30.04	416.93	8.62	-21.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300011836432	0	45	0.0	-34.26	391.18	8.48	-25.78
CNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836433	0	43	0.0	-34.93	364.17	8.20	-26.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300011836434	0	43	0.0	-31.98	372.96	11.19	-20.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300011836435	0	43	0.0	-32.48	385.42	11.72	-20.76
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300011836436	0	43	0.0	-33.00	380.80	10.68	-22.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2C=C1	REAL300011836437	0	42	0.0	-31.17	355.93	12.25	-18.92
COC1=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300011836438	0	43	0.0	-36.56	365.93	9.77	-26.79
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300011836439	0	47	0.0	-41.02	392.96	12.51	-28.51
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836440	0	52	0.0	-33.44	426.50	12.39	-21.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CC=C1F	REAL300011836441	0	36	0.0	-31.51	337.68	10.50	-21.01
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=C1F	REAL300011836442	0	36	0.0	-27.41	336.71	10.64	-16.77
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1	REAL300011836443	0	44	0.0	-31.66	368.82	8.61	-23.05
COC1=CC2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2C=C1	REAL300011836444	0	46	0.0	-29.21	379.91	11.88	-17.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300011836445	0	38	-1.0	-40.33	344.11	8.56	-31.77
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Br)=CS1	REAL300011836446	0	33	0.0	-24.99	316.12	10.06	-14.93
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836447	0	49	0.0	-33.73	405.26	12.06	-21.67
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC(F)F	REAL300011836448	0	44	0.0	-29.30	375.51	9.50	-19.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300011836449	0	40	0.0	-34.40	370.38	10.56	-23.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC=C2NC1=O	REAL300011836450	0	42	0.0	-24.22	354.78	9.38	-14.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300011836451	0	36	-1.0	-37.94	342.29	9.42	-28.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Br)=C1	REAL300011836452	0	36	0.0	-33.87	335.53	10.60	-23.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300011836453	0	51	0.0	-29.83	401.48	11.23	-18.60
CCCCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836454	0	55	0.0	-31.76	445.88	13.32	-18.44
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1SC	REAL300011836455	0	44	0.0	-33.01	377.44	10.29	-22.72
N#CCCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836456	0	47	0.0	-39.76	402.24	11.49	-28.27
CCC(C)OC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836457	0	53	0.0	-32.74	427.87	11.50	-21.24
C=C(C)COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836458	0	51	0.0	-33.26	421.44	11.42	-21.84
C=CCC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1O	REAL300011836459	0	48	0.0	-27.70	399.32	9.48	-18.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300011836460	0	43	0.0	-28.22	363.83	10.25	-17.97
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836461	0	45	0.0	-33.74	389.02	10.83	-22.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300011836462	0	42	0.0	-39.21	362.77	9.81	-29.40
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN(C2=CC=CC=C2)N=N1	REAL300011836462	1	41	-1.0	-48.83	360.35	8.54	-40.29
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NC(C2=CC=CC=C2)=CS1	REAL300011836463	0	41	-1.0	-53.03	368.74	10.93	-42.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300011836463	1	42	0.0	-27.48	370.87	10.69	-16.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCOCC2)C(F)=C1	REAL300011836464	0	49	0.0	-34.31	402.58	9.08	-25.23
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836465	0	42	0.0	-34.20	352.82	11.68	-22.52
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836466	0	45	0.0	-32.58	373.53	9.64	-22.94
C=CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836467	0	44	0.0	-34.05	388.81	11.31	-22.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300011836468	0	42	0.0	-30.59	372.72	10.94	-19.65
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C2OC(C)CC2=C1	REAL300011836469	0	48	0.0	-26.88	394.14	9.78	-17.10
CC1(C)CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300011836470	0	47	0.0	-32.81	388.25	11.12	-21.69
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300011836471	0	42	0.0	-34.95	364.36	8.34	-26.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300011836472	0	39	0.0	-27.23	367.31	9.69	-17.54
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836473	0	46	0.0	-27.84	385.26	10.44	-17.40
CC1=CC=C(F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836474	0	39	0.0	-30.75	333.63	10.62	-20.13
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836475	0	39	0.0	-28.14	328.70	10.46	-17.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300011836476	0	39	0.0	-27.33	359.89	11.82	-15.51
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=C1	REAL300011836477	0	39	0.0	-25.60	347.54	11.20	-14.40
CC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836478	0	38	0.0	-31.28	319.69	8.58	-22.70
CC(C)COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836479	0	49	0.0	-26.74	397.27	12.05	-14.69
COCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836480	0	47	0.0	-29.48	389.30	9.82	-19.66
CC1(C)CCCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C1	REAL300011836481	0	48	0.0	-31.59	365.82	11.10	-20.49
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300011836482	0	40	0.0	-33.42	363.81	10.07	-23.35
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836483	0	46	0.0	-22.51	344.48	11.56	-10.95
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OCO2	REAL300011836484	0	43	0.0	-32.62	364.98	7.89	-24.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=CC2=CC=CC=C21	REAL300011836485	0	41	0.0	-29.89	344.24	10.16	-19.73
CC(C)COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836486	0	49	0.0	-28.00	397.39	12.04	-15.96
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836487	0	39	0.0	-29.32	339.03	10.90	-18.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300011836488	0	40	0.0	-33.73	344.40	11.11	-22.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)N=C1	REAL300011836489	0	35	0.0	-34.68	321.57	8.63	-26.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=CC(Br)=C1	REAL300011836490	0	35	0.0	-31.11	324.69	8.77	-22.34
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836491	0	41	0.0	-33.92	351.70	8.36	-25.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCCCCC1	REAL300011836492	0	45	0.0	-30.86	343.10	10.75	-20.11
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C2O1	REAL300011836493	0	47	0.0	-32.79	388.07	11.09	-21.70
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836494	0	39	0.0	-33.69	335.65	6.60	-27.09
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300011836495	0	46	0.0	-25.34	383.94	11.50	-13.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300011836496	0	43	0.0	-31.49	368.23	11.20	-20.29
CC(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836497	0	42	0.0	-30.98	353.84	9.06	-21.92
CC1=C(Br)SC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836498	0	36	0.0	-23.38	335.93	10.77	-12.61
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2C=C1	REAL300011836499	0	44	0.0	-33.14	372.52	10.97	-22.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300011836500	0	38	0.0	-29.35	325.48	8.81	-20.54
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)=C1	REAL300011836501	0	52	0.0	-32.01	427.96	14.62	-17.39
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300011836502	0	45	0.0	-34.50	377.46	13.41	-21.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300011836503	0	39	0.0	-25.34	338.72	10.93	-14.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300011836504	0	43	0.0	-37.40	375.32	10.43	-26.97
COCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836505	0	43	0.0	-31.72	363.59	9.67	-22.05
CCCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836506	0	49	0.0	-27.42	402.86	11.86	-15.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300011836507	0	47	0.0	-27.51	404.91	14.42	-13.09
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300011836508	0	46	0.0	-28.08	383.98	10.75	-17.33
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836509	0	47	0.0	-32.57	383.36	9.79	-22.78
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836510	0	42	0.0	-27.07	371.75	10.81	-16.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300011836511	0	40	0.0	-31.44	355.64	8.80	-22.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300011836512	0	46	0.0	-33.80	401.49	11.60	-22.20
CC1CCC2=C(C1)SC(CNC(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836513	0	44	-1.0	-53.71	379.57	9.09	-44.62
CC1CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])=N2	REAL300011836513	1	45	0.0	-26.04	377.03	10.27	-15.77
CC(C)(C)C1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836514	0	54	0.0	-30.99	399.98	12.35	-18.64
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836515	0	50	0.0	-32.34	413.11	12.66	-19.68
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836516	0	50	0.0	-29.82	412.12	12.76	-17.06
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(C)O1	REAL300011836517	0	39	0.0	-27.79	329.40	9.53	-18.26
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836518	0	49	0.0	-34.14	408.28	10.89	-23.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300011836519	0	47	0.0	-27.13	387.34	12.13	-15.00
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836520	0	40	0.0	-28.49	368.05	10.28	-18.21
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836521	0	44	0.0	-30.28	376.22	9.96	-20.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300011836522	0	39	0.0	-31.83	366.77	10.09	-21.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300011836523	0	39	0.0	-30.74	367.00	9.84	-20.90
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)O1	REAL300011836524	0	42	0.0	-31.13	379.53	9.92	-21.21
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836525	0	39	0.0	-29.25	343.59	11.00	-18.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CNN=C1C1=CC=CC=C1F	REAL300011836526	0	43	0.0	-31.65	359.30	10.37	-21.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300011836527	0	45	0.0	-29.69	382.65	11.59	-18.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)OC2=CC=CC=C21	REAL300011836528	0	39	0.0	-28.87	352.65	10.91	-17.96
COCCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836529	0	47	0.0	-29.87	393.49	9.54	-20.33
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836530	0	40	0.0	-26.65	359.83	10.03	-16.62
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NC2=C(CCC2)S1	REAL300011836531	0	38	-1.0	-51.30	339.21	8.09	-43.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC2=C(CCC2)S1	REAL300011836531	1	39	0.0	-27.18	339.17	9.12	-18.06
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CS2)=N1	REAL300011836532	0	43	0.0	-29.07	362.45	10.51	-18.56
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836533	0	40	0.0	-31.05	339.35	9.29	-21.76
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300011836534	0	43	0.0	-25.05	371.08	12.29	-12.76
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836535	0	44	0.0	-29.13	374.54	9.70	-19.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300011836536	0	42	0.0	-33.94	354.36	9.15	-24.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Br)=C1	REAL300011836537	0	36	0.0	-31.79	329.82	10.56	-21.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1	REAL300011836538	0	36	0.0	-31.74	325.25	10.46	-21.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300011836539	0	43	0.0	-35.00	368.69	11.20	-23.80
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836540	0	45	0.0	-30.51	372.56	9.81	-20.70
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300011836541	0	42	0.0	-29.56	352.66	11.31	-18.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CO)O1	REAL300011836542	0	37	0.0	-34.61	322.60	5.56	-29.05
CC(=O)NC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836543	0	43	0.0	-35.14	366.22	8.87	-26.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1Cl	REAL300011836544	0	36	0.0	-29.80	320.55	10.45	-19.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300011836545	0	38	0.0	-41.00	338.03	10.67	-30.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300011836546	0	38	0.0	-36.99	338.06	10.66	-26.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300011836547	0	42	0.0	-27.35	348.68	12.05	-15.30
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836548	0	44	0.0	-30.51	362.46	10.29	-20.22
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836549	0	50	0.0	-28.94	402.82	12.22	-16.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=C1	REAL300011836550	0	36	0.0	-30.96	331.14	10.62	-20.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1	REAL300011836551	0	36	0.0	-31.03	326.58	10.51	-20.52
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(OC)=C1OC	REAL300011836552	0	48	0.0	-34.30	401.77	9.11	-25.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1Cl	REAL300011836553	0	36	0.0	-25.27	323.80	10.76	-14.51
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1	REAL300011836554	0	36	0.0	-31.64	316.26	10.06	-21.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OC(F)F	REAL300011836555	0	40	0.0	-28.38	345.60	9.55	-18.83
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC	REAL300011836556	0	44	0.0	-27.42	368.63	9.24	-18.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300011836557	0	36	0.0	-26.30	339.28	10.94	-15.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300011836558	0	49	0.0	-30.76	391.71	8.75	-22.01
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836559	0	44	0.0	-33.52	367.27	9.14	-24.38
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC)=C1	REAL300011836560	0	44	0.0	-28.53	367.50	8.63	-19.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300011836561	0	39	0.0	-33.06	349.68	10.89	-22.17
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C=C1F	REAL300011836562	0	36	0.0	-27.88	321.82	10.08	-17.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Cl)=C1Cl	REAL300011836563	0	36	0.0	-25.91	336.41	10.85	-15.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C(Cl)=C1	REAL300011836564	0	36	0.0	-33.01	340.44	10.92	-22.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300011836565	0	40	0.0	-33.92	349.10	9.57	-24.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300011836566	0	39	0.0	-35.60	336.32	10.97	-24.63
CCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836567	0	49	0.0	-26.87	398.67	12.13	-14.74
CC(C)CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836568	0	52	0.0	-31.71	422.87	12.22	-19.49
CCCCCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836569	0	55	0.0	-31.74	448.30	13.26	-18.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300011836570	0	47	0.0	-34.45	398.91	12.84	-21.61
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836571	0	40	0.0	-28.35	333.93	9.63	-18.72
CC(=CC1=CC=CC=C1)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836572	0	43	0.0	-30.11	356.62	11.78	-18.33
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836573	0	47	0.0	-33.46	389.13	10.07	-23.39
CC(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836574	0	45	0.0	-29.89	371.17	11.82	-18.07
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300011836575	0	39	0.0	-34.31	348.55	10.99	-23.32
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(OC)=C1OC	REAL300011836576	0	48	0.0	-34.11	402.72	9.08	-25.03
CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836577	0	43	0.0	-26.74	357.70	10.20	-16.54
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836578	0	43	0.0	-27.10	355.67	10.55	-16.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1F	REAL300011836579	0	36	0.0	-31.50	312.25	9.96	-21.54
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1	REAL300011836580	0	36	0.0	-32.70	314.93	10.02	-22.68
COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836581	0	40	0.0	-28.05	338.00	9.34	-18.71
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=C1	REAL300011836582	0	36	0.0	-28.49	316.46	9.58	-18.91
COC1=CC=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836583	0	40	0.0	-25.41	353.88	10.30	-15.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300011836584	0	46	0.0	-30.63	381.92	13.33	-17.30
CC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836585	0	39	0.0	-27.82	322.50	10.54	-17.28
COC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300011836586	0	46	0.0	-27.66	374.71	11.30	-16.36
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836587	0	39	0.0	-30.00	332.35	10.56	-19.44
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836588	0	37	0.0	-34.60	328.55	10.31	-24.29
CSC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836589	0	40	0.0	-30.66	350.06	11.01	-19.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC=C1Cl	REAL300011836590	0	36	0.0	-26.20	333.92	10.67	-15.53
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836591	0	48	0.0	-31.14	396.61	8.56	-22.58
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836592	0	39	0.0	-29.91	331.22	10.67	-19.24
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836593	0	42	0.0	-29.72	352.74	11.43	-18.29
CC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836594	0	45	0.0	-23.18	354.91	11.93	-11.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1F	REAL300011836595	0	36	0.0	-30.66	320.47	10.04	-20.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1	REAL300011836596	0	36	0.0	-35.12	321.23	10.07	-25.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300011836597	0	50	0.0	-34.33	422.08	13.15	-21.18
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836598	0	36	0.0	-27.89	322.94	9.77	-18.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1Br	REAL300011836599	0	36	0.0	-29.10	322.38	10.51	-18.59
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1O	REAL300011836600	0	41	0.0	-33.95	348.79	7.09	-26.86
CC1=NN(C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836601	0	42	0.0	-32.18	349.56	8.70	-23.48
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836602	0	39	0.0	-29.35	346.67	8.59	-20.76
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836603	0	42	0.0	-28.77	347.59	9.43	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300011836604	0	39	0.0	-37.72	349.17	8.92	-28.80
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C(C)(C)C)=N1	REAL300011836605	0	48	0.0	-27.21	373.15	10.22	-16.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)O1	REAL300011836606	0	33	0.0	-32.53	306.29	8.70	-23.83
CN(CCC#N)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836607	0	48	0.0	-36.40	404.02	11.85	-24.55
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1OC	REAL300011836608	0	47	0.0	-31.18	389.50	10.16	-21.02
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OCC(N)=O	REAL300011836609	0	48	0.0	-41.13	405.86	7.11	-34.02
C#CCOC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836610	0	42	0.0	-27.92	363.49	10.75	-17.17
CC1=NOC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836611	0	38	0.0	-32.31	326.96	8.78	-23.53
CC1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836612	0	35	0.0	-32.37	315.04	7.67	-24.70
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=C1OCO2	REAL300011836613	0	43	0.0	-35.19	363.28	7.86	-27.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300011836614	0	42	0.0	-34.03	362.12	9.70	-24.33
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NN(C2=CC=CC=C2)N=C1	REAL300011836614	1	41	-1.0	-48.69	361.88	8.51	-40.18
COC1=CC2=C(C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])OC(C)C2	REAL300011836615	0	48	0.0	-30.48	395.95	9.83	-20.65
CCN(C(C)=O)C1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836616	0	45	0.0	-32.03	389.07	9.69	-22.34
CCN(C(C)=O)C1=NC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836616	1	44	-1.0	-69.06	388.77	8.73	-60.33
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836617	0	43	0.0	-31.02	358.10	9.99	-21.03
CC(C)(C)C1=NNC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836618	0	45	0.0	-28.91	358.43	8.75	-20.16
COC1=CC=CC(OC)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836619	0	44	0.0	-28.77	364.00	8.63	-20.14
COC1=CC=C(F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836620	0	40	0.0	-28.39	344.84	9.19	-19.20
CSC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836621	0	37	0.0	-28.96	344.35	10.19	-18.77
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836622	0	49	0.0	-28.00	393.26	13.56	-14.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCO2	REAL300011836623	0	39	0.0	-27.70	334.54	8.60	-19.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CS1	REAL300011836624	0	33	0.0	-24.85	309.95	9.87	-14.98
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836625	0	42	0.0	-37.17	368.39	7.44	-29.73
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836626	0	40	0.0	-30.54	345.38	9.30	-21.24
NC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836627	0	40	0.0	-34.87	342.24	6.70	-28.17
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1F	REAL300011836628	0	40	0.0	-33.41	344.25	9.31	-24.10
COC1=CC=C(Cl)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836629	0	40	0.0	-25.57	349.31	10.20	-15.37
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1C	REAL300011836630	0	43	0.0	-39.22	367.95	10.14	-29.08
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1Cl	REAL300011836631	0	39	0.0	-28.72	343.99	11.05	-17.67
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C	REAL300011836632	0	43	0.0	-30.07	358.10	9.99	-20.08
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1F	REAL300011836633	0	39	0.0	-26.66	334.42	10.61	-16.05
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836634	0	37	0.0	-31.76	336.23	10.39	-21.37
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836635	0	39	0.0	-28.70	329.03	7.48	-21.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300011836636	0	49	0.0	-31.23	411.74	11.50	-19.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Br)C=N1	REAL300011836637	0	35	0.0	-27.19	327.12	8.64	-18.55
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300011836638	0	45	0.0	-31.74	384.52	7.18	-24.56
C#CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836639	0	45	0.0	-27.40	382.95	11.88	-15.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN2C=CC=CC2=N1	REAL300011836640	0	39	0.0	-29.39	337.82	10.37	-19.02
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C12	REAL300011836641	0	44	0.0	-36.19	377.17	9.62	-26.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C2CC2)=N1	REAL300011836642	0	39	0.0	-32.30	344.16	9.13	-23.17
CCC1=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836643	0	38	0.0	-32.78	337.85	8.45	-24.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300011836644	0	39	0.0	-35.05	352.13	10.95	-24.10
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836645	0	39	0.0	-33.69	333.24	8.25	-25.44
CCOCC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1OC	REAL300011836646	0	50	0.0	-28.90	412.11	10.16	-18.74
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836647	0	39	0.0	-30.28	328.80	9.00	-21.28
NC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836648	0	40	0.0	-41.47	344.36	6.77	-34.70
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300011836649	0	39	0.0	-37.40	344.91	9.40	-28.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CCCCCCC1	REAL300011836650	0	48	0.0	-30.09	353.51	11.06	-19.03
CC1=CSC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836651	0	34	-1.0	-49.80	315.42	6.60	-43.20
CC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836651	1	35	0.0	-26.57	314.29	7.65	-18.92
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1F	REAL300011836652	0	40	0.0	-28.53	344.72	9.32	-19.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1Br	REAL300011836653	0	36	0.0	-24.94	327.84	10.85	-14.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2CCCC2=C1	REAL300011836654	0	43	0.0	-25.04	349.93	12.24	-12.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1Br	REAL300011836655	0	33	0.0	-25.83	318.19	9.48	-16.35
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836656	0	49	0.0	-26.34	394.09	11.53	-14.81
CCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836657	0	39	0.0	-29.38	324.69	8.27	-21.11
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NC2=C(CCCC2)S1	REAL300011836658	0	41	-1.0	-54.27	358.79	8.47	-45.80
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300011836658	1	42	0.0	-26.55	357.07	9.70	-16.85
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300011836659	0	36	0.0	-31.93	338.61	10.57	-21.36
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300011836660	0	41	0.0	-32.29	348.70	10.38	-21.91
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1Br	REAL300011836661	0	36	0.0	-25.97	330.53	10.53	-15.44
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=N1	REAL300011836662	0	35	0.0	-29.79	314.34	7.60	-22.19
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836663	0	40	0.0	-26.95	340.34	9.70	-17.25
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(Br)=C1F	REAL300011836664	0	36	0.0	-27.07	334.69	10.59	-16.48
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836665	0	46	0.0	-32.31	381.48	9.95	-22.36
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CS1	REAL300011836666	0	36	0.0	-28.53	315.72	9.65	-18.88
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836667	0	41	0.0	-36.88	359.91	8.51	-28.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300011836668	0	46	0.0	-29.76	372.51	12.49	-17.27
N#CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836669	0	36	0.0	-40.61	323.65	8.38	-32.23
COC(=O)C1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1	REAL300011836670	0	40	0.0	-39.45	350.19	8.38	-31.07
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836671	0	40	0.0	-34.10	346.17	8.00	-26.10
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1OC	REAL300011836672	0	47	0.0	-30.18	381.44	9.79	-20.39
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(Cl)=C1Cl	REAL300011836673	0	33	0.0	-32.70	331.79	9.87	-22.83
CC1=NC(F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836674	0	38	0.0	-30.38	324.88	8.70	-21.68
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836675	0	43	0.0	-26.91	357.28	9.93	-16.98
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836676	0	36	0.0	-29.36	321.71	9.74	-19.62
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836677	0	37	0.0	-37.67	320.06	7.66	-30.01
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300011836678	0	35	0.0	-31.69	334.60	8.35	-23.34
CS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836679	0	42	0.0	-39.65	370.51	7.51	-32.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CS1	REAL300011836680	0	33	0.0	-25.01	311.53	9.95	-15.06
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300011836681	0	49	0.0	-29.08	392.45	13.20	-15.88
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N(C)N=C1	REAL300011836682	0	39	0.0	-25.38	324.37	8.48	-16.90
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836683	0	39	0.0	-28.64	346.66	11.11	-17.53
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836684	0	43	0.0	-30.78	362.76	9.65	-21.13
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300011836685	0	43	0.0	-25.80	365.25	11.56	-14.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300011836686	0	43	0.0	-29.56	358.10	12.10	-17.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(Cl)S1	REAL300011836687	0	32	0.0	-26.38	309.55	7.68	-18.70
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NC=C(Cl)S1	REAL300011836687	1	31	-1.0	-46.25	310.68	6.63	-39.62
C=CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836688	0	37	0.0	-32.67	325.42	8.88	-23.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCCC1	REAL300011836689	0	46	0.0	-28.36	372.83	10.40	-17.96
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836690	0	46	0.0	-28.09	378.27	11.97	-16.12
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300011836691	0	39	0.0	-30.85	341.86	10.85	-20.00
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=N1	REAL300011836692	0	45	0.0	-28.32	365.51	7.57	-20.75
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836693	0	40	0.0	-23.92	346.65	10.10	-13.82
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836694	0	46	0.0	-24.92	363.81	10.79	-14.13
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C1=CC=CC=C1	REAL300011836695	0	46	0.0	-30.45	388.85	12.27	-18.18
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=NN1C	REAL300011836696	0	39	0.0	-25.44	323.07	8.56	-16.88
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836697	0	48	0.0	-28.65	391.65	10.28	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300011836698	0	41	0.0	-32.61	351.84	9.65	-22.96
COCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836699	0	43	0.0	-32.27	368.85	7.59	-24.68
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300011836700	0	46	0.0	-29.79	375.94	12.63	-17.16
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC2=CC=CC=C21	REAL300011836701	0	46	0.0	-31.44	384.35	11.59	-19.85
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836702	0	43	0.0	-35.53	366.11	10.25	-25.28
COC1=CC=CC2=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=CC=C12	REAL300011836703	0	46	0.0	-29.36	379.21	11.48	-17.88
N#CC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836704	0	34	0.0	-36.26	322.10	9.37	-26.89
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300011836705	0	41	0.0	-37.16	358.24	9.65	-27.51
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836706	0	46	0.0	-27.92	384.58	11.73	-16.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300011836707	0	35	0.0	-28.35	335.20	8.30	-20.05
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=NC=C(C(F)(F)F)S1	REAL300011836707	1	34	-1.0	-48.03	335.90	7.05	-40.98
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1C#N	REAL300011836708	0	40	0.0	-34.79	348.53	10.84	-23.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300011836709	0	43	0.0	-32.84	373.71	8.28	-24.56
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=C1	REAL300011836710	0	40	0.0	-25.50	353.45	9.74	-15.76
CC1=CN=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836711	0	34	-1.0	-50.25	315.54	6.80	-43.45
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836711	1	35	0.0	-27.41	316.55	7.92	-19.49
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836712	0	45	0.0	-31.12	376.50	10.07	-21.05
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1C1CC1	REAL300011836713	0	43	0.0	-28.38	350.02	11.75	-16.63
CC1=CC(Br)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836714	0	36	0.0	-26.23	341.43	10.43	-15.80
CC(C)(C)OC(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836715	0	51	0.0	-37.41	419.51	12.70	-24.71
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836716	0	46	0.0	-27.47	399.42	12.67	-14.80
CCC1=CN=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836717	0	37	-1.0	-49.95	337.02	7.59	-42.36
CCC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836717	1	38	0.0	-27.21	338.05	8.70	-18.51
CN1C(=O)CCC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C21	REAL300011836718	0	47	0.0	-36.86	384.39	10.84	-26.02
CC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836719	0	43	0.0	-26.81	363.75	10.63	-16.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300011836720	0	42	0.0	-34.10	379.36	11.26	-22.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(Cl)=CC=C1OCC1CC1	REAL300011836721	0	47	0.0	-28.82	408.26	12.36	-16.46
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836722	0	45	0.0	-32.59	373.47	9.64	-22.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300011836723	0	45	0.0	-30.09	381.73	10.63	-19.46
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)S1	REAL300011836724	0	39	0.0	-30.50	348.75	9.50	-21.00
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836725	0	41	0.0	-29.59	357.50	9.26	-20.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300011836726	0	39	0.0	-31.57	357.62	9.10	-22.47
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=C2)C=N1	REAL300011836727	0	46	0.0	-33.50	387.82	11.22	-22.28
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300011836728	0	39	0.0	-28.85	340.64	9.33	-19.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300011836729	0	47	0.0	-32.33	403.65	12.86	-19.47
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300011836730	0	46	0.0	-25.06	390.35	11.57	-13.49
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=C(C#N)C=C2)=N1	REAL300011836731	0	47	0.0	-33.20	410.04	11.53	-21.67
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1	REAL300011836732	0	44	0.0	-37.40	365.65	8.14	-29.26
NC(=O)C1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836733	0	37	0.0	-34.94	330.76	6.20	-28.74
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836734	0	50	0.0	-36.20	419.28	12.32	-23.88
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836735	0	48	0.0	-31.56	394.70	10.22	-21.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300011836736	0	42	0.0	-30.10	364.42	10.10	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300011836737	0	43	0.0	-33.75	374.90	8.07	-25.68
CC1=CC=CC=C1N1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836738	0	45	0.0	-38.32	383.89	10.71	-27.61
CC1=CC=CC=C1N1C=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836738	1	44	-1.0	-49.03	376.27	9.24	-39.79
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836739	0	36	0.0	-32.89	332.15	8.06	-24.83
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])S2)C=N1	REAL300011836740	0	43	0.0	-32.90	384.77	10.55	-22.35
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300011836741	0	48	0.0	-34.13	386.77	10.79	-23.34
CCOC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836742	0	43	0.0	-29.57	372.46	10.78	-18.79
CCC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836743	0	42	0.0	-31.09	352.47	11.09	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(Cl)=C1Cl	REAL300011836744	0	36	0.0	-22.20	337.34	11.31	-10.89
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN(C(F)F)C=C1	REAL300011836745	0	36	0.0	-25.32	319.90	8.18	-17.14
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836746	0	47	0.0	-27.29	389.86	10.72	-16.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300011836747	0	40	0.0	-30.11	359.78	9.88	-20.23
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=C(F)C=C1	REAL300011836748	0	43	0.0	-29.62	366.57	10.74	-18.88
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300011836749	0	49	0.0	-29.14	409.12	11.72	-17.42
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=NN2C)=C1	REAL300011836750	0	49	0.0	-28.29	396.41	11.72	-16.57
CC(C)C1=CN=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836751	0	40	-1.0	-52.68	358.83	8.08	-44.60
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836751	1	41	0.0	-26.92	358.00	9.28	-17.64
CC(C)(C)C1=CN=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836752	0	43	-1.0	-49.57	374.93	8.72	-40.85
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836752	1	44	0.0	-26.82	376.20	9.78	-17.04
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2CC2)N=CS1	REAL300011836753	0	39	0.0	-29.51	345.35	9.42	-20.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300011836754	0	42	0.0	-28.24	358.56	13.76	-14.48
COC(=O)C1=C(C)N(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836755	0	46	0.0	-31.84	387.90	10.50	-21.34
COCCCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836756	0	46	0.0	-29.45	379.86	8.10	-21.35
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836757	0	39	0.0	-22.71	343.60	11.38	-11.33
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836758	0	50	0.0	-33.94	420.39	9.95	-23.99
CSCC1=CN=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836759	0	38	-1.0	-53.11	361.69	7.90	-45.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1C(F)(F)F	REAL300011836760	0	36	0.0	-25.08	327.59	9.89	-15.19
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300011836761	0	42	0.0	-27.52	381.47	12.39	-15.13
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836762	0	41	0.0	-28.41	349.98	7.46	-20.95
CCN1N=C(C)C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836762	1	40	-1.0	-50.68	348.81	6.44	-44.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300011836763	0	43	0.0	-29.49	359.06	12.09	-17.40
CC1=NN(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836764	0	39	0.0	-31.24	331.09	8.10	-23.14
N#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836765	0	37	0.0	-38.99	335.28	10.38	-28.61
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300011836766	0	39	0.0	-32.29	348.13	9.05	-23.24
CC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836767	0	39	0.0	-25.17	336.32	11.05	-14.12
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836768	0	46	0.0	-30.90	383.07	11.14	-19.76
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836769	0	45	0.0	-28.68	371.08	9.97	-18.71
COC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN1	REAL300011836770	0	43	0.0	-38.40	368.40	8.88	-29.52
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836771	0	46	0.0	-33.74	386.55	12.25	-21.49
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836772	0	49	0.0	-31.80	410.49	12.41	-19.39
CC(C)(C#N)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836773	0	46	0.0	-37.40	387.57	11.84	-25.56
CC(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836774	0	45	0.0	-27.00	361.62	11.69	-15.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NN2CCCCC2=C1	REAL300011836775	0	43	0.0	-28.33	355.41	9.19	-19.14
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300011836776	0	42	0.0	-31.23	361.28	9.52	-21.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300011836777	0	38	0.0	-30.96	333.42	8.66	-22.30
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836778	0	44	0.0	-32.51	373.62	8.72	-23.79
COC1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836779	0	44	0.0	-32.93	370.90	9.17	-23.76
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=C1	REAL300011836780	0	39	0.0	-26.02	343.96	11.10	-14.92
CCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836781	0	42	0.0	-29.34	351.41	11.38	-17.96
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836782	0	49	0.0	-29.51	403.62	12.77	-16.74
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836783	0	40	0.0	-27.01	342.75	9.22	-17.79
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1CCC2	REAL300011836784	0	43	0.0	-28.87	355.06	11.69	-17.18
COC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836785	0	40	0.0	-24.43	337.93	9.72	-14.71
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836786	0	49	0.0	-25.06	388.34	11.85	-13.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300011836787	0	38	0.0	-25.90	336.57	10.09	-15.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2CCCN2N=C1	REAL300011836788	0	40	0.0	-34.53	335.02	8.55	-25.98
CCC1=C2OC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC2=CC=C1	REAL300011836789	0	45	0.0	-33.50	380.65	11.94	-21.56
C=CCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836790	0	42	0.0	-39.06	362.40	8.65	-30.41
C=CCCN1C=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836790	1	41	-1.0	-47.09	359.95	7.38	-39.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CC1CC1	REAL300011836791	0	43	0.0	-35.18	347.56	9.70	-25.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2CC2)=C1F	REAL300011836792	0	44	0.0	-28.77	375.78	10.99	-17.78
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836793	0	46	0.0	-29.42	376.04	10.83	-18.59
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300011836794	0	40	0.0	-29.81	354.07	9.70	-20.11
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300011836795	0	40	0.0	-25.96	348.74	10.04	-15.92
COC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836796	0	39	0.0	-29.57	330.27	7.09	-22.48
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300011836797	0	49	0.0	-28.73	392.77	13.15	-15.58
CN1C=C(C2=NN(C)C=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=N1	REAL300011836798	0	46	0.0	-32.14	392.94	8.99	-23.15
COCC1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836799	0	40	0.0	-25.31	349.95	9.16	-16.15
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=N1	REAL300011836800	0	42	0.0	-38.19	352.05	8.46	-29.73
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN(C2CCC2)N=N1	REAL300011836800	1	41	-1.0	-47.69	349.61	7.19	-40.50
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300011836801	0	36	0.0	-30.66	340.47	10.13	-20.53
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)O1	REAL300011836802	0	36	0.0	-23.90	326.34	9.69	-14.21
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300011836803	0	36	0.0	-26.37	330.94	10.07	-16.30
CN(C)C1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC(F)=C1F	REAL300011836804	0	44	0.0	-33.29	368.16	10.02	-23.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(F)C=CC(F)=C1Cl	REAL300011836805	0	36	0.0	-28.93	335.02	10.49	-18.44
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300011836806	0	48	0.0	-34.09	395.19	9.64	-24.45
CN(C)C1=CC(F)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1F	REAL300011836807	0	44	0.0	-28.96	376.25	9.45	-19.51
COC(=O)C1=C2CCCCN2C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836808	0	50	0.0	-31.27	411.52	11.73	-19.54
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C(F)=C1F	REAL300011836809	0	36	0.0	-29.16	327.98	10.04	-19.12
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300011836810	0	43	0.0	-27.71	372.66	10.62	-17.09
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC1CC1	REAL300011836811	0	48	0.0	-33.49	398.31	10.82	-22.67
CCCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836812	0	42	0.0	-29.86	350.02	9.15	-20.71
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836813	0	39	0.0	-33.83	350.52	8.50	-25.33
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836814	0	50	0.0	-32.47	413.14	10.12	-22.35
CCCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836815	0	42	0.0	-29.19	362.80	11.38	-17.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300011836816	0	43	0.0	-32.00	377.55	12.66	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300011836817	0	49	0.0	-29.19	405.32	12.03	-17.16
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836818	0	45	0.0	-29.83	370.04	11.92	-17.91
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=N1	REAL300011836819	0	36	0.0	-35.20	329.27	8.20	-27.00
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C(C)(C)C	REAL300011836820	0	52	0.0	-30.35	409.20	11.93	-18.42
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300011836821	0	49	0.0	-29.09	399.58	13.46	-15.63
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=NC=C1Br	REAL300011836822	0	38	0.0	-26.88	345.63	9.22	-17.66
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(O)C=CC=C1Br	REAL300011836823	0	37	0.0	-31.41	336.16	7.67	-23.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C([O-])C=CC=C1Br	REAL300011836823	1	36	-1.0	-57.81	328.65	8.78	-49.03
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)C=N1	REAL300011836824	0	42	0.0	-26.20	373.93	8.92	-17.28
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CC=C1Cl	REAL300011836825	0	40	0.0	-32.06	354.06	9.80	-22.26
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1CC1CCC1	REAL300011836826	0	46	0.0	-23.90	366.23	10.58	-13.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300011836827	0	42	0.0	-39.99	369.17	9.88	-30.11
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300011836827	1	41	-1.0	-46.11	366.76	8.61	-37.50
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1CC(F)(F)F	REAL300011836828	0	42	0.0	-31.36	356.96	11.35	-20.01
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Br)=N1	REAL300011836829	0	36	0.0	-34.17	333.32	8.29	-25.88
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836830	0	39	0.0	-27.08	336.82	10.69	-16.39
CC(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836831	0	43	0.0	-35.25	364.34	8.86	-26.39
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CN=C21	REAL300011836832	0	41	0.0	-38.29	355.14	9.02	-29.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=C(Br)C=C1F	REAL300011836833	0	35	0.0	-29.39	331.52	8.78	-20.61
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1OC	REAL300011836834	0	44	0.0	-28.32	380.39	9.67	-18.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300011836835	0	42	0.0	-32.91	370.83	11.78	-21.13
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836836	0	46	0.0	-29.68	372.67	9.94	-19.74
CCOC(=O)C1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(C)N1	REAL300011836837	0	49	0.0	-35.23	408.20	10.33	-24.90
CC1=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CS1	REAL300011836838	0	39	0.0	-27.99	335.13	10.28	-17.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(Cl)C(F)=C1	REAL300011836839	0	35	0.0	-29.05	322.02	9.02	-20.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Br)SC=C1	REAL300011836840	0	33	0.0	-21.32	312.37	9.99	-11.33
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(F)C=C1OC	REAL300011836841	0	47	0.0	-32.70	392.76	10.08	-22.62
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836842	0	39	0.0	-30.82	356.89	7.37	-23.45
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300011836843	0	42	0.0	-30.45	352.97	12.08	-18.37
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CN=C1Br	REAL300011836844	0	35	0.0	-26.14	321.34	8.56	-17.58
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(F)=C1OC(F)(F)F	REAL300011836845	0	40	0.0	-35.94	360.82	9.99	-25.95
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836846	0	46	0.0	-25.84	379.12	11.33	-14.51
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836847	0	43	0.0	-31.82	368.67	10.18	-21.64
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300011836848	0	50	0.0	-35.37	404.53	10.96	-24.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(OC(F)F)C=C1F	REAL300011836849	0	40	0.0	-29.74	354.66	9.58	-20.16
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836850	0	49	0.0	-32.46	390.45	11.15	-21.31
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836851	0	39	0.0	-30.18	335.60	10.96	-19.22
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C(F)C=C1C	REAL300011836852	0	43	0.0	-26.74	362.63	10.03	-16.71
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1Br	REAL300011836853	0	42	0.0	-27.89	360.94	11.68	-16.21
CC1=CC=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Br	REAL300011836854	0	38	0.0	-29.08	341.51	9.23	-19.85
CC1=CC=NC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Br	REAL300011836854	1	37	-1.0	-57.53	340.48	8.11	-49.42
CC(C)(C)C1=CSC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836855	0	43	-1.0	-52.43	373.02	8.44	-43.99
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836855	1	44	0.0	-27.03	375.43	9.70	-17.33
COCCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836856	0	42	0.0	-30.70	370.38	7.73	-22.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1[O-]	REAL300011836857	0	36	-1.0	-42.35	328.56	8.02	-34.33
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(F)=CC(F)=C1O	REAL300011836857	1	37	0.0	-28.71	329.96	7.26	-21.45
CN1N=C2CCSCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836858	0	44	0.0	-25.09	367.99	9.97	-15.12
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300011836859	0	49	0.0	-28.49	410.73	12.00	-16.49
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300011836860	0	44	0.0	-24.88	348.75	10.22	-14.66
COCC1=C(C)C=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836861	0	52	0.0	-28.85	408.07	11.12	-17.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OC(=O)OC2=C1	REAL300011836862	0	38	0.0	-35.72	336.29	10.50	-25.22
CC1=C(Br)C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836863	0	36	0.0	-29.56	343.41	10.37	-19.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300011836864	0	41	0.0	-30.43	344.66	10.19	-20.24
CCCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836865	0	49	0.0	-30.62	401.45	11.72	-18.90
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300011836866	0	40	0.0	-35.90	344.57	8.37	-27.53
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1CN1C=CC=N1	REAL300011836867	0	50	0.0	-36.16	420.74	10.94	-25.22
CCOC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836868	0	43	0.0	-28.31	366.16	10.18	-18.13
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300011836869	0	41	0.0	-37.14	342.16	10.95	-26.19
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836870	0	44	0.0	-34.84	365.10	11.51	-23.33
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1OC	REAL300011836871	0	44	0.0	-39.22	378.86	9.21	-30.01
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836872	0	42	0.0	-30.67	370.18	10.67	-20.00
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300011836873	0	46	0.0	-31.80	390.83	10.72	-21.08
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300011836874	0	50	0.0	-33.49	419.80	13.22	-20.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1OCC(F)F	REAL300011836875	0	43	0.0	-31.44	372.72	10.59	-20.85
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(Cl)C=N1	REAL300011836876	0	35	0.0	-27.22	322.56	8.53	-18.69
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836877	0	52	0.0	-32.32	427.79	12.95	-19.37
CC1=CC(C#N)=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836878	0	43	0.0	-31.74	363.52	11.42	-20.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CCF)N=C1	REAL300011836879	0	39	0.0	-26.95	335.38	9.14	-17.81
CC(C)(C)C1=COC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836880	0	43	-1.0	-47.47	368.52	6.23	-41.24
CCCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836881	0	45	0.0	-29.69	374.23	12.21	-17.48
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=NC2=NN1	REAL300011836882	0	41	0.0	-42.62	352.92	8.50	-34.12
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836883	0	44	0.0	-38.15	383.42	6.71	-31.44
CN1N=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C2=CC=CC=C21	REAL300011836884	0	42	0.0	-33.36	360.77	9.79	-23.57
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300011836885	0	39	0.0	-33.13	337.71	8.48	-24.65
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NNC2=CC=CC=C21	REAL300011836885	1	39	0.0	-27.48	335.52	8.57	-18.91
CN1C(Cl)=NC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836886	0	36	0.0	-32.37	341.16	9.20	-23.17
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836887	0	39	0.0	-30.29	343.44	10.67	-19.62
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300011836888	0	41	0.0	-26.97	345.35	10.21	-16.76
CC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N2C=CC=CC2=N1	REAL300011836889	0	42	0.0	-26.85	351.80	11.32	-15.53
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836890	0	56	0.0	-30.31	429.99	12.06	-18.25
C[N@H+](CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836890	1	57	1.0	-73.78	425.93	13.80	-59.98
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836890	1	57	1.0	-72.70	431.36	13.85	-58.85
CCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836891	0	38	0.0	-30.43	338.00	8.71	-21.72
COC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])SC=C1	REAL300011836892	0	37	0.0	-27.75	327.81	8.32	-19.43
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300011836893	0	42	0.0	-28.12	360.61	8.56	-19.56
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC=C1Cl	REAL300011836894	0	33	0.0	-26.23	314.54	9.39	-16.84
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836895	0	41	0.0	-31.69	358.79	9.51	-22.18
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836896	0	47	0.0	-28.70	402.20	10.33	-18.37
CCCC(C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-])C1=CC=CC=C1	REAL300011836897	0	48	0.0	-27.24	382.13	13.02	-14.22
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300011836898	0	41	0.0	-29.97	362.25	10.87	-19.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1CC2CCC1C2	REAL300011836899	0	43	0.0	-30.25	334.18	10.65	-19.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(F)N=C1	REAL300011836900	0	35	0.0	-35.68	311.11	8.15	-27.53
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300011836901	0	36	0.0	-24.56	335.29	10.64	-13.92
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1(C(F)F)CC1	REAL300011836902	0	36	0.0	-32.89	313.21	9.34	-23.55
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836903	0	46	0.0	-37.64	391.98	12.66	-24.98
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C	REAL300011836904	0	39	0.0	-34.94	330.18	8.83	-26.11
CC(C)C1CCC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])CC1	REAL300011836905	0	51	0.0	-31.46	375.88	11.73	-19.73
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(Cl)N=C2C=C(Cl)C=CN21	REAL300011836906	0	39	0.0	-26.46	368.41	11.29	-15.17
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836907	0	47	0.0	-36.14	395.15	11.39	-24.75
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836908	0	50	0.0	-32.97	408.39	11.59	-21.38
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836909	0	46	0.0	-28.95	373.86	11.01	-17.94
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CON=C1CC1=CC=CC=C1	REAL300011836910	0	45	0.0	-33.82	386.29	11.60	-22.22
CCC1=NOC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836911	0	38	0.0	-30.89	327.22	8.75	-22.14
CN1N=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836912	0	36	0.0	-26.19	323.08	8.47	-17.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300011836913	0	38	0.0	-31.79	333.49	7.35	-24.44
COC1=CC=C(N2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])C=N2)C=C1	REAL300011836914	0	47	0.0	-33.35	398.18	10.50	-22.85
CC1=CN=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836915	0	38	0.0	-30.45	317.90	8.61	-21.84
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300011836916	0	38	0.0	-30.55	350.25	7.84	-22.71
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300011836917	0	43	0.0	-33.46	358.38	12.12	-21.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC=C1Br	REAL300011836918	0	35	0.0	-25.84	321.63	8.67	-17.17
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])S1	REAL300011836919	0	39	0.0	-31.32	357.51	7.02	-24.30
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=CC=N1	REAL300011836920	0	42	0.0	-25.74	356.63	11.02	-14.72
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(F)=C1	REAL300011836921	0	41	0.0	-40.82	366.45	4.91	-35.91
CC(C)(C)N1N=NC(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836922	0	42	-1.0	-51.18	358.99	7.97	-43.21
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836923	0	42	0.0	-33.61	350.72	9.80	-23.81
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836924	0	38	0.0	-24.96	329.23	9.56	-15.40
CN1N=CC(C(F)(F)F)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836925	0	39	0.0	-21.32	341.09	8.89	-12.43
CN1N=CC(C2CC2)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836926	0	43	0.0	-30.27	360.58	9.64	-20.63
CN1N=CC(C2CCC2)=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836927	0	46	0.0	-30.02	376.94	10.14	-19.88
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N1C	REAL300011836928	0	39	0.0	-33.71	329.06	8.91	-24.80
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])NC2=CC=C1	REAL300011836929	0	43	0.0	-31.48	363.66	10.45	-21.03
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=NC=C1	REAL300011836930	0	42	0.0	-31.98	359.96	9.09	-22.89
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1=CC=[NH+]C=C1	REAL300011836930	1	43	1.0	-69.77	358.99	9.93	-59.84
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])NC2=C1	REAL300011836931	0	43	0.0	-30.73	363.12	10.59	-20.14
CC1=NC=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836932	0	37	0.0	-33.74	317.81	6.67	-27.07
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836933	0	42	0.0	-31.67	354.81	8.35	-23.32
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC=C1Cl	REAL300011836934	0	35	0.0	-26.49	318.04	8.57	-17.92
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCOCC1	REAL300011836935	0	47	0.0	-29.57	381.34	8.47	-21.10
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=NNC=C21	REAL300011836936	0	39	0.0	-31.94	335.95	8.70	-23.24
CCC(F)(F)C(C)(C)C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836937	0	44	0.0	-33.30	346.46	10.12	-23.18
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NC(F)=C1	REAL300011836938	0	35	0.0	-32.36	309.83	8.12	-24.24
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300011836939	0	40	0.0	-31.79	339.91	9.98	-21.81
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=C(C=CNC2=O)O1	REAL300011836940	0	39	0.0	-38.56	342.48	7.47	-31.09
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300011836941	0	38	0.0	-32.52	337.13	9.00	-23.52
CN(C)C1=CC=C(C#N)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836942	0	45	0.0	-32.29	382.67	10.30	-21.99
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCOC2)N=N1	REAL300011836943	0	46	0.0	-42.45	384.31	7.43	-35.02
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN(CC2CCOC2)N=N1	REAL300011836943	1	45	-1.0	-50.72	384.72	6.19	-44.53
COC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1C	REAL300011836944	0	42	0.0	-30.70	346.22	7.94	-22.76
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836945	0	49	0.0	-32.13	400.23	13.16	-18.97
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300011836946	0	46	0.0	-40.93	384.87	7.57	-33.36
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN(CC2CCCO2)N=N1	REAL300011836946	1	45	-1.0	-65.22	383.54	6.51	-58.71
CCCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836947	0	41	0.0	-38.84	348.27	8.06	-30.78
CCCN1C=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836947	1	40	-1.0	-47.40	347.14	6.82	-40.58
CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836948	0	44	0.0	-28.47	368.46	9.95	-18.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CC2)C=N1	REAL300011836949	0	40	0.0	-34.52	339.91	10.59	-23.93
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300011836950	0	41	0.0	-33.48	355.11	10.35	-23.13
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836951	0	49	0.0	-30.98	394.61	12.93	-18.05
CC1=NSC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836952	0	35	0.0	-29.26	315.08	8.37	-20.89
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836953	0	41	0.0	-38.08	364.08	4.95	-33.13
CCN1N=CN=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836954	0	38	0.0	-26.81	324.21	9.04	-17.77
CCN1N=CN=C1CNC(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836954	1	37	-1.0	-48.85	322.11	7.76	-41.09
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CN=C(C2CC2)O1	REAL300011836955	0	38	-1.0	-45.88	334.35	7.47	-38.41
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C(C2CC2)O1	REAL300011836955	1	39	0.0	-32.68	338.52	7.29	-25.39
CCC1=CNC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=N1	REAL300011836956	0	39	0.0	-23.67	327.21	8.40	-15.27
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=NC=CC2=C1CCCC2	REAL300011836957	0	45	0.0	-31.18	361.50	10.45	-20.73
CC1=NN(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836958	0	39	0.0	-31.50	348.95	8.64	-22.86
CN1C=CC(C2=NC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CS2)=N1	REAL300011836959	0	42	0.0	-40.80	378.16	8.42	-32.38
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C2CCCC2)=N1	REAL300011836960	0	49	0.0	-32.61	397.32	10.88	-21.73
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Br	REAL300011836961	0	39	0.0	-25.85	344.30	11.11	-14.74
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300011836962	0	47	0.0	-32.17	402.82	12.83	-19.34
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C2OCCCC2=C1	REAL300011836963	0	44	0.0	-31.22	362.23	10.58	-20.64
CN(C)C(=O)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836964	0	46	0.0	-40.55	382.20	9.88	-30.67
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(Cl)=NN1	REAL300011836965	0	39	0.0	-22.04	341.89	8.44	-13.60
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=C(C2CC2)NN=C1Cl	REAL300011836966	0	40	0.0	-32.26	356.17	8.95	-23.31
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=NO1	REAL300011836967	0	41	0.0	-30.14	341.69	9.33	-20.81
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836968	0	38	0.0	-39.69	328.09	7.33	-32.36
CCN1C=C(CNC(CC2=CC=CC=C2Cl)C(=O)[O-])N=N1	REAL300011836968	1	37	-1.0	-46.93	323.85	7.51	-39.42
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C2CCCCC2=N1	REAL300011836969	0	48	0.0	-30.48	382.46	11.17	-19.31
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300011836970	0	51	0.0	-26.86	400.00	11.85	-15.01
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])O1	REAL300011836971	0	40	0.0	-32.22	345.42	9.50	-22.72
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CSC(C(F)(F)F)=N1	REAL300011836972	0	35	0.0	-36.56	334.13	8.06	-28.50
O=C([O-])C(CC1=CC=CC=C1Cl)NCC1=CSC(C(F)(F)F)=N1	REAL300011836972	1	34	-1.0	-42.40	331.28	8.28	-34.12
CCN1C=NC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836973	0	39	0.0	-34.57	331.59	10.08	-24.49
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=CN=C1F	REAL300011836974	0	38	0.0	-36.48	332.47	8.65	-27.83
CC1=CC(F)=NC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836975	0	38	0.0	-25.81	317.31	8.99	-16.82
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=C(C(F)F)C(F)=C1	REAL300011836976	0	39	0.0	-38.91	347.96	10.92	-27.99
COC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1C	REAL300011836977	0	45	0.0	-34.11	379.23	11.15	-22.96
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1	REAL300011836978	0	43	0.0	-25.47	344.99	10.12	-15.35
CC1=C(Cl)C=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1Cl	REAL300011836979	0	39	0.0	-26.14	355.35	11.45	-14.69
N#CC1=CC=C(Br)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836980	0	37	0.0	-26.28	340.67	11.30	-14.98
CC1CC2=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=CC=C2O1	REAL300011836981	0	44	0.0	-31.12	364.58	10.49	-20.63
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OC(=O)N2	REAL300011836982	0	39	0.0	-44.31	342.59	7.36	-36.95
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=CC2=C1OCC2	REAL300011836983	0	41	0.0	-28.58	345.59	9.81	-18.77
CSCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836984	0	43	0.0	-30.74	373.82	11.80	-18.94
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(CC2CCC2)N=C1	REAL300011836985	0	46	0.0	-30.78	382.10	10.74	-20.04
CN1N=C2CCOCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836986	0	44	0.0	-31.66	365.16	7.59	-24.07
CN1N=C2CCCC2=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836987	0	43	0.0	-31.26	355.76	9.43	-21.83
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CC=NN1C1CCC1	REAL300011836988	0	43	0.0	-26.64	353.21	10.12	-16.52
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN(C2CCC2)N=C1	REAL300011836989	0	43	0.0	-25.73	352.59	10.12	-15.61
COC(=O)C(C)OC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836990	0	49	0.0	-32.88	412.13	11.54	-21.34
COC(=O)COC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836991	0	46	0.0	-32.41	394.37	10.94	-21.47
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836992	0	43	0.0	-28.00	351.79	9.68	-18.32
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Cl)C(=O)[O-])=C21	REAL300011836993	0	42	0.0	-29.27	341.33	11.45	-17.82
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836994	0	42	0.0	-23.22	334.31	11.49	-11.73
CN(C)C(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836995	0	46	0.0	-35.65	377.13	10.07	-25.58
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])=C1	REAL300011836996	0	39	0.0	-29.08	336.34	10.68	-18.40
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C(C)=C1C	REAL300011836997	0	45	0.0	-28.70	359.39	11.71	-16.99
CCNC(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Cl)C(=O)[O-])C=C1	REAL300011836998	0	46	0.0	-34.40	385.65	9.04	-25.36
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300011836999	0	48	0.0	-21.43	351.88	12.24	-9.19
O=C([O-])C(CC1=CC=CC=C1Cl)[NH2+]CC1=CN=C2CCCCCN12	REAL300011837000	0	46	0.0	-33.51	366.89	10.26	-23.25