smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000028638436 203835460 /nfs/dbraw/zinc/83/54/60/203835460.db2.gz DNBWNFZBKIJSDO-UHFFFAOYSA-N 0 2 377.223 4.619 10 5 GJBELN