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-])c1csc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1 ZINC000514387288 1066308331 /nfs/dbraw/zinc/30/83/31/1066308331.db2.gz FVOHERAHNDMMFB-UHFFFAOYSA-N -2 0 530.524 2.209 20 0 KEADRL