smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000006720181 569098209 /nfs/dbraw/zinc/09/82/09/569098209.db2.gz JPHYZHQMSKQFKA-UHFFFAOYSA-N -2 1 414.414 3.577 10 0 HHAEML