smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)c2c(O)cc(O)c(C)c2o1	ZINC000003472623	571683248	/nfs/dbraw/zinc/68/32/48/571683248.db2.gz	XSSGQRFNGHRFBC-UHFFFAOYSA-N	-2	2	206.197	1.821	10	0	endogenous,in-man	BDAELL
CCC(CC)(C(=O)[O-])C(CC)(C(=O)[O-])C(=O)O	ZINC000040448894	168313086	/nfs/dbraw/zinc/31/30/86/168313086.db2.gz	SWVDRRQNIHSZCG-UHFFFAOYSA-N	-2	2	246.259	1.443	10	0		BDAELL
Cc1c(O)ccc2c(O)c(N)c(=O)oc12	ZINC000006520228	560205981	/nfs/dbraw/zinc/20/59/81/560205981.db2.gz	RYDWGVPXXFYEQD-UHFFFAOYSA-N	-2	2	207.185	1.095	10	0	in-vitro	BDAELL
O=C([O-])c1ccc(NC(=S)[S-])cc1O	ZINC000584635927	358320048	/nfs/dbraw/zinc/32/00/48/358320048.db2.gz	RYMHAHZIEAMCBM-UHFFFAOYSA-N	-2	2	229.282	1.717	10	0		BDAELL