smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1ccc(F)cc1 ZINC000218395734 509276147 /nfs/dbraw/zinc/27/61/47/509276147.db2.gz YWXHQVSJODUHJQ-UHFFFAOYSA-N -1 0 350.415 2.560 40 70 FFIBRM