smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000028470648 561927007 /nfs/dbraw/zinc/92/70/07/561927007.db2.gz FIAKHZXVLBNZLW-NFGXINMFSA-N 2 1 639.802 -0.546 10 0 KBAEMP Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000043130902 562646281 /nfs/dbraw/zinc/64/62/81/562646281.db2.gz SFVLTCAESLKEHH-WKAQUBQDSA-N 2 1 639.802 -0.546 10 0 investigational KBAEMP