smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(-c2ccc(-c3ccc([O-])cc3F)o2)c(F)c1 ZINC000095592355 185013779 /nfs/dbraw/zinc/01/37/79/185013779.db2.gz IBTQQJVHKYBJEU-UHFFFAOYSA-N -2 3 288.249 4.303 1 0 CIAFHL [O-]c1ccc(-c2cocc2-c2ccc([O-])cc2F)c(F)c1 ZINC000095592681 185013539 /nfs/dbraw/zinc/01/35/39/185013539.db2.gz GWZLCGQZXZLJLO-UHFFFAOYSA-N -2 3 288.249 4.303 1 0 CIAFHL