smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000159421266 568295457 /nfs/dbraw/zinc/29/54/57/568295457.db2.gz NDHDXPSBXDNVHD-KGLIPLIRSA-N 0 0 350.384 4.692 10 70 FJIERN