smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1ccc2c(c1O)C(O)=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2	ZINC000065747853	522648934	/nfs/dbraw/zinc/64/89/34/522648934.db2.gz	KTQLKXJOFVMDMQ-REXXEDAASA-N	0	2	443.456	0.162	10	30	in-vitro	ICEELN