smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2cc([O-])c(O)cc2cc1OS(=O)(=O)[O-] ZINC000238750896 389200533 /nfs/dbraw/zinc/20/05/33/389200533.db2.gz QNSPWPBWTXUEDR-UHFFFAOYSA-N -2 1 274.206 0.386 10 10 CCCEML