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](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)O	ZINC000004556671	552466909	/nfs/dbraw/zinc/46/69/09/552466909.db2.gz	QTQDIOGTLZJSHD-NSYSGPAISA-N	1	3	595.658	-2.003	40	5		KABBHO