smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OCC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc([O-])cc2C3=O)O[C@H]1O	ZINC000005161406	560201100	/nfs/dbraw/zinc/20/11/00/560201100.db2.gz	DYJNRRXQVSJBAA-GSDQLPOLSA-N	-1	0	400.339	1.326	1	10	in-vitro	HDCFRM
CC(=O)OCC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc([O-])cc2C3=O)O[C@H]1O	ZINC000005161412	560201112	/nfs/dbraw/zinc/20/11/12/560201112.db2.gz	DYJNRRXQVSJBAA-GWNMQOMSSA-N	-1	0	400.339	1.326	1	10	in-vitro	HDCFRM
O=C([O-])[C@@H](Cc1cc(O)c(O)c(CCO)c1)OC(=O)/C=C/c1ccc(O)c(O)c1	ZINC000085510838	291199477	/nfs/dbraw/zinc/19/94/77/291199477.db2.gz	MVKOGHNTHPFVEI-NKEDHYFDSA-N	-1	0	404.371	1.296	1	10	biogenic,in-vitro	HDCFRM
CC(=O)OCC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc([O-])cc2C3=O)O[C@@H]1O	ZINC000005161404	560201141	/nfs/dbraw/zinc/20/11/41/560201141.db2.gz	DYJNRRXQVSJBAA-YBYGRFCBSA-N	-1	0	400.339	1.326	1	10	in-vitro	HDCFRM