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-])cc2oc2c(O)cccc12 ZINC000028456059 560091688 /nfs/dbraw/zinc/09/16/88/560091688.db2.gz TYKHURSBFYCUAT-UHFFFAOYSA-N -1 1 228.203 2.357 1 5 biogenic,in-vitro BEBFMM