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-])c1cc(S(=O)(=O)Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)c[nH]1 ZINC000751267426 1069602829 /nfs/dbraw/zinc/60/28/29/1069602829.db2.gz HXQWKSFQRCYDQK-UHFFFAOYSA-N -2 0 490.346 3.621 20 10 JHCDRL