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-])c1cc2ccccc2c2cc3c4ccccc4cc(C(=O)[O-])c3cc12 ZINC000105026340 209263949 /nfs/dbraw/zinc/26/39/49/209263949.db2.gz KJLFTCGWTLNSMO-UHFFFAOYSA-N -2 0 366.372 5.696 40 5 FKBBRL