smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CC3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000108317174	571423205	/nfs/dbraw/zinc/42/32/05/571423205.db2.gz	IOYPBGOMSWLJBQ-RSHBGHTASA-N	1	0	571.631	-2.090	40	10		KACBRO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000150655737	571526854	/nfs/dbraw/zinc/52/68/54/571526854.db2.gz	FAPSXDCCJCTLJL-WRJSTFRQSA-N	1	0	661.709	-1.499	40	10		KACBRO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)COc3ccccc3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225438230	571807300	/nfs/dbraw/zinc/80/73/00/571807300.db2.gz	WPSVVHQEJWPINZ-BOGKGFANSA-N	1	0	637.690	-1.421	40	10		KACBRO