smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-]c(=O)c2c(c1C(=O)OC)C(=O)c1c(=O)[n-]c(C(=O)OC)c(C(=O)OC)c1C2=O	ZINC000012296530	522386789	/nfs/dbraw/zinc/38/67/89/522386789.db2.gz	YYHLACNFNPJJCY-UHFFFAOYSA-N	-2	3	474.334	-0.190	50	10	biogenic	JBCAHL
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc([O-])cc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000021992916	569602417	/nfs/dbraw/zinc/60/24/17/569602417.db2.gz	DJSISFGPUUYILV-ZFORQUDYSA-N	-3	3	462.363	-0.152	50	10	biogenic,in-vitro	JBCAHL
O=c1[n-]c(=S)[nH]c([O-])c1C=Nc1cc(NC=C2C(=O)[N-]C(=S)NC2=O)ccc1Cl	ZINC000098087114	569750656	/nfs/dbraw/zinc/75/06/56/569750656.db2.gz	RCGULDDBYUCILR-UHFFFAOYSA-N	-3	3	450.889	-0.007	50	10		JBCAHL