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(Br)ccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000013268033 562985663 /nfs/dbraw/zinc/98/56/63/562985663.db2.gz XPPVCOWWUWHKLI-UHFFFAOYSA-N -1 2 441.122 3.772 10 0 IHAELM