smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(OCc2ccc3c(c2)c(=O)c2ccccc2cc3-c2nn[n-]n2)c2cc(C(=O)[O-])ccc2n1	ZINC000013742166	561726205	/nfs/dbraw/zinc/72/62/05/561726205.db2.gz	XBDRFPZAQGCRSX-UHFFFAOYSA-N	-2	1	503.518	4.921	1	5		KJBFML
COc1ccc(-c2c3c(c(=O)oc4cc([O-])c(OC)cc34)n3ccc4cc(OC)c(OC)cc4c23)cc1OS(=O)(=O)[O-]	ZINC000073258596	562737115	/nfs/dbraw/zinc/73/71/15/562737115.db2.gz	OJZUQDQXQPHXHQ-UHFFFAOYSA-N	-2	1	593.566	4.941	1	5		KJBFML
O=S(=O)([O-])c1ccc2c(c1)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1cc(S(=O)(=O)[O-])ccc15)-c1ccccc1-4)c1cc(S(=O)(=O)[O-])ccc13	ZINC000096905099	562798499	/nfs/dbraw/zinc/79/84/99/562798499.db2.gz	BPRBTAVBJPYVGR-UHFFFAOYSA-N	-3	1	754.744	4.609	1	5		KJBFML