smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@H](CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CC[C@H]([NH3+])C(=O)OCC	ZINC000026387435	553818198	/nfs/dbraw/zinc/81/81/98/553818198.db2.gz	PYPKSBBTQSNXLR-HOTGVXAUSA-N	1	1	577.454	1.333	30	0		KDACMO