smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](CO)NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000306182136 444288089 /nfs/dbraw/zinc/28/80/89/444288089.db2.gz TZVMPRYEKWVAII-INIZCTEOSA-N -1 0 328.368 1.844 30 0 EDACRM