smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc1O	ZINC000005733652	181278911	/nfs/dbraw/zinc/27/89/11/181278911.db2.gz	MBNGWHIJMBWFHU-UHFFFAOYSA-N	-2	2	300.266	2.585	50	0	endogenous,in-man	DFAALL
O=C([O-])C[C@H]1CC[N@H+](Cc2c(Cl)ccc(O)c2Cl)C1	ZINC000216231136	426556387	/nfs/dbraw/zinc/55/63/87/426556387.db2.gz	PVEQZRBAWJMHDO-MRVPVSSYSA-N	-2	2	304.173	2.996	50	0		DFAALL
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1	ZINC000005733537	181278310	/nfs/dbraw/zinc/27/83/10/181278310.db2.gz	RJCJVIFSIXKSAH-UHFFFAOYSA-N	-2	2	314.293	2.888	50	0	biogenic,in-vitro	DFAALL
COc1cc(=O)c2c(O)c(OC)c(-c3ccc(O)cc3)oc-2c1	ZINC000005732364	181278475	/nfs/dbraw/zinc/27/84/75/181278475.db2.gz	BJBUTJQYZDYRMJ-UHFFFAOYSA-N	-2	2	314.293	2.888	50	0	biogenic,in-vitro	DFAALL
O=C([O-])C[C@@H]1CC[N@H+](Cc2c(Cl)ccc(O)c2Cl)C1	ZINC000216231179	426557686	/nfs/dbraw/zinc/55/76/86/426557686.db2.gz	PVEQZRBAWJMHDO-QMMMGPOBSA-N	-2	2	304.173	2.996	50	0		DFAALL