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(C[n+]1cccc(CO)c1)c1ccc(-c2ccc(C(=O)C[n+]3cccc(CO)c3)cc2)cc1 ZINC000001559948 527196359 /nfs/dbraw/zinc/19/63/59/527196359.db2.gz YPMVZLKIIWGSRM-UHFFFAOYSA-N 2 0 454.526 2.679 40 30 JFEBRP