smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC(C(=O)[O-])C(=O)O ZINC000001871089 567018963 /nfs/dbraw/zinc/01/89/63/567018963.db2.gz WMRCTEPOPAZMMN-UHFFFAOYSA-N -1 2 258.358 3.693 40 30 CHEBLM