O=C(O)c1c[nH]c2ccc(S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2c1=O	ZINC000004659662	74/27/51/220742751	CCHGMCFBWPNABS-CYBMUJFWSA-N	-1	379.394	GC	0.173	0	Anodyne	ref	GCAARM	O=C([O-])c1cnc2ccc(S(=O)(=O)N[C@@H]3CCCCNC3=O)cc2c1O	 
O=C(O)c1c[nH]c2ccc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc2c1=O	ZINC000004659663	06/09/52/204060952	CCHGMCFBWPNABS-ZDUSSCGKSA-N	-1	379.394	GC	0.173	0	Anodyne	ref	GCAARM	O=C([O-])c1cnc2ccc(S(=O)(=O)N[C@H]3CCCCNC3=O)cc2c1O	 
NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1	ZINC000004659664	39/00/79/570390079	FQRISNAASLFCRT-UHFFFAOYSA-N	-1	379.394	GC	0.112	0	Anodyne	ref	GCAARM	NC(=O)C1CCN(S(=O)(=O)c2ccc3ncc(C(=O)[O-])c(O)c3c2)CC1	 
CCN1CCN(S(=O)(=O)c2cn(CC(=O)O)c(=O)c3ccccc23)CC1	ZINC000006438654	17/86/88/204178688	FALHOPYLMPUVHI-UHFFFAOYSA-N	0	379.438	GC	0.412	2	Anodyne	low	GCAALN	CC[NH+]1CCN(S(=O)(=O)c2cn(CC(=O)[O-])c(=O)c3ccccc23)CC1	 
CCN1CCN(S(=O)(=O)c2cn(CC(=O)O)c(=O)c3ccccc23)CC1	ZINC000006438654	17/86/84/204178684	FALHOPYLMPUVHI-UHFFFAOYSA-N	-1	379.438	GC	0.412	0	Anodyne	ref	GCAARM	CCN1CCN(S(=O)(=O)c2cn(CC(=O)[O-])c(=O)c3ccccc23)CC1	 
O=C(O)/C=C/C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1	ZINC000009060719	54/73/71/570547371	AIUPTZISCASUBW-SNAWJCMRSA-N	-1	381.454	GC	0.867	0	Anodyne	ref	GCAARM	O=C([O-])/C=C/C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1	 
Cn1cc(CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)O)cn1	ZINC000009530977	55/95/42/570559542	BQACSWVAAWHFLU-UHFFFAOYSA-N	-1	386.474	GC	0.429	0	Anodyne	ref	GCAARM	Cn1cc(CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)[O-])cn1	 
C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@@]2(O)C(=O)CO	ZINC000011592695	57/64/18/570576418	GFNANZIMVAIWHM-LBCOYRJHSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@@]2(O)C(=O)CO	 
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	ZINC000011592697	57/64/63/570576463	GFNANZIMVAIWHM-URUWMIMUSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	 
CCOC(=O)c1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(CC)c2=O)no1	ZINC000021147186	37/86/40/210378640	JHIRHZLMOYQZNG-UHFFFAOYSA-N	0	375.316	GC	0.78	0	Anodyne	ref	GCAARN	CCOC(=O)c1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(CC)c2=O)no1	 
CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC(=O)O)c2=O)no1	ZINC000021365171	29/09/78/570290978	FGKDMDHBGBRHOH-UHFFFAOYSA-N	-1	377.744	GC	0.745	0	Anodyne	ref	GCAARM	CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC(=O)[O-])c2=O)no1	 
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)O)cc21	ZINC000045795870	18/40/71/530184071	FQZAQUKLXZUMJQ-UHFFFAOYSA-N	-2	377.216	GC	0.721	3	Anodyne	high	GCAAHL	CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CC(=O)[O-])cc21	 
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)O)cc21	ZINC000045795870	18/40/65/530184065	FQZAQUKLXZUMJQ-UHFFFAOYSA-N	-1	377.216	GC	0.721	0	Anodyne	ref	GCAARM	CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)[O-])cc21	 
COc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)CCC3=O)CC2)cc1	ZINC000097957193	01/91/15/525019115	PTTLFPMVAQRSCJ-UHFFFAOYSA-N	0	396.421	GC	0.703	0	Mild	ref	GCEARN	COc1ccc(S(=O)(=O)N2CCC(C(=O)ON3C(=O)CCC3=O)CC2)cc1	 
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	ZINC000136741538	47/85/69/570478569	GFNANZIMVAIWHM-WJVCUDDYSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	 
C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	ZINC000139744423	49/46/52/570494652	GFNANZIMVAIWHM-CKBYQHNESA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	 
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	ZINC000242495495	45/65/79/570456579	GFNANZIMVAIWHM-ZLQJMPCFSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	ZINC000253524941	97/56/27/570975627	GFNANZIMVAIWHM-CPNUEBSUSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	ZINC000253524942	97/56/22/570975622	GFNANZIMVAIWHM-FUYORGBVSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	in-vitro
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	ZINC000253524943	97/55/75/570975575	GFNANZIMVAIWHM-VUSYKTSUSA-N	0	394.439	GC	0.62	0	Mild	ref	GCEARN	C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	in-vitro