smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c([C@@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694894	206313009	/nfs/dbraw/zinc/31/30/09/206313009.db2.gz	WHNAJPFARNBVDZ-KWQFWETISA-N	-1	1	362.334	0.795	40	5	biogenic,in-vitro	FCBBMM
NC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@H](N)Cc1ccccc1	ZINC000001579643	204013911	/nfs/dbraw/zinc/01/39/11/204013911.db2.gz	XGOKAPWRMOFBPN-KGLIPLIRSA-N	-1	1	372.381	0.383	40	5		FCBBMM
COc1cc([O-])c([C@@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694898	487574353	/nfs/dbraw/zinc/57/43/53/487574353.db2.gz	WHNAJPFARNBVDZ-GZMMTYOYSA-N	-1	1	362.334	0.795	40	5	biogenic,in-vitro	FCBBMM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1O	ZINC000408596006	528336289	/nfs/dbraw/zinc/33/62/89/528336289.db2.gz	YOIIHOLPNHBAOT-RUDMXATFSA-N	-1	1	351.271	0.676	40	5		FCBBMM
NC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@H](N)Cc1ccccc1	ZINC000001579645	487470136	/nfs/dbraw/zinc/47/01/36/487470136.db2.gz	XGOKAPWRMOFBPN-ZIAGYGMSSA-N	-1	1	372.381	0.383	40	5		FCBBMM
COc1cc([O-])c([C@H](CO)[C@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694900	487574403	/nfs/dbraw/zinc/57/44/03/487574403.db2.gz	WHNAJPFARNBVDZ-LDYMZIIASA-N	-1	1	362.334	0.795	40	5	biogenic,in-vitro	FCBBMM
Nc1nc(Cl)c(C=Cc2c3nncn3[nH]c(=O)c2[N+](=O)[O-])c(=O)[n-]1	ZINC000016546200	211162861	/nfs/dbraw/zinc/16/28/61/211162861.db2.gz	WBKBQAWRKLJAIT-OWOJBTEDSA-N	-1	1	350.682	0.227	40	5		FCBBMM
COc1cc([O-])c([C@H](CO)[C@@H](O)CO)c2oc3cccc(O)c3c(=O)c12	ZINC000014694896	220129675	/nfs/dbraw/zinc/12/96/75/220129675.db2.gz	WHNAJPFARNBVDZ-KCJUWKMLSA-N	-1	1	362.334	0.795	40	5	biogenic,in-vitro	FCBBMM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O	ZINC000006906053	487498613	/nfs/dbraw/zinc/49/86/13/487498613.db2.gz	PGBFVGNAVLWLTN-NSCUHMNNSA-N	-1	1	350.243	0.764	40	5		FCBBMM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000408589596	528194391	/nfs/dbraw/zinc/19/43/91/528194391.db2.gz	DYXMSOBYCVUDEL-FPYGCLRLSA-N	-1	1	351.271	0.676	40	5		FCBBMM
Cn1c(=O)[n-]c(=O)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1=O	ZINC000005635086	487489093	/nfs/dbraw/zinc/48/90/93/487489093.db2.gz	YLIQWGRPIGOYGD-UHFFFAOYSA-N	-1	1	356.294	0.925	40	5		FCBBMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2[nH]c1=O	ZINC000013582124	220075880	/nfs/dbraw/zinc/07/58/80/220075880.db2.gz	HSVUJJSTPKTWAY-UHFFFAOYSA-N	-1	1	362.323	0.925	40	5		FCBBMM
NC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@@H](N)Cc1ccccc1	ZINC000001579642	487470127	/nfs/dbraw/zinc/47/01/27/487470127.db2.gz	XGOKAPWRMOFBPN-KBPBESRZSA-N	-1	1	372.381	0.383	40	5		FCBBMM
NC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)[C@@H](N)Cc1ccccc1	ZINC000001579644	487470084	/nfs/dbraw/zinc/47/00/84/487470084.db2.gz	XGOKAPWRMOFBPN-UONOGXRCSA-N	-1	1	372.381	0.383	40	5		FCBBMM