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](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027410023	561856130	/nfs/dbraw/zinc/85/61/30/561856130.db2.gz	VRNRCEAHEGWGPY-MLCQCVOFSA-N	1	1	603.769	-1.242	10	30		KAEEMO
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])[C@@H](C)O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027524397	561865705	/nfs/dbraw/zinc/86/57/05/561865705.db2.gz	NYUWDQZPQOAAII-JUKXBMAYSA-N	1	1	672.789	-4.994	10	30		KAEEMO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028086303	561899156	/nfs/dbraw/zinc/89/91/56/561899156.db2.gz	NOBOBWONZWNTHO-ATIWLJMLSA-N	1	1	598.706	-3.688	10	30		KAEEMO
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC000136940885	571449772	/nfs/dbraw/zinc/44/97/72/571449772.db2.gz	LAPUTHYQVDIYFG-HBMCJLEFSA-N	1	1	540.625	-1.871	10	30		KAEEMO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(N)=O	ZINC000196183061	571564126	/nfs/dbraw/zinc/56/41/26/571564126.db2.gz	QXUPFHUQCFYTFV-QXKUPLGCSA-N	1	1	672.770	-6.515	10	30		KAEEMO