smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015721253	553534743	/nfs/dbraw/zinc/53/47/43/553534743.db2.gz	ZNKZJCICBFSACN-FHWLQOOXSA-N	1	3	506.608	0.796	40	5		KCBBHO