smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1 ZINC000000879753 571113580 /nfs/dbraw/zinc/11/35/80/571113580.db2.gz OEXMVPQZPJUYJS-UHFFFAOYSA-N -2 2 368.241 4.653 50 10 FJCALL