smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc2c1[nH]c1ccccc1c2=O)C(=O)[O-] ZINC000095547823 562758901 /nfs/dbraw/zinc/75/89/01/562758901.db2.gz AUHUGXXJXIKTMW-AVRDBVGKSA-N 1 3 778.868 -1.286 1 5 KABFHO