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(c1cc(Cl)c(Cl)n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1[O-])c1ccccc1[O-] ZINC000299860442 562892949 /nfs/dbraw/zinc/89/29/49/562892949.db2.gz GQRFAQYFZLJLHW-UHFFFAOYSA-N -2 0 658.221 6.521 1 70 KKIFRL