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(NN=C(Br)c2ccccc2)cc1 ZINC000015444263 182002491 /nfs/dbraw/zinc/00/24/91/182002491.db2.gz BNXSRUVQYMMQEZ-DTQAZKPQSA-N 0 1 320.146 3.763 30 30 DHECMN