smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc([O-])cc2oc2cc([O-])cc(O)c12 ZINC000014821941 358433439 /nfs/dbraw/zinc/43/34/39/358433439.db2.gz WRIILVBYWBDSMT-UHFFFAOYSA-N -2 3 244.202 2.063 40 5 BEBBHL