smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C[C@@H](CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])cc1	ZINC000022448097	553742427	/nfs/dbraw/zinc/74/24/27/553742427.db2.gz	AQOXEJNYXXLRQQ-KRWDZBQOSA-N	-3	2	527.527	-0.675	50	0	fda	KBAALL