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(Nc1cc(/C=C/c2ccc(Cl)cc2)ccc1[N+](=O)[O-])c1cc(Cl)ccc1O ZINC000048533007 569258013 /nfs/dbraw/zinc/25/80/13/569258013.db2.gz URDFGYZZNOYHFN-OWOJBTEDSA-N 0 2 429.259 6.030 10 5 IKBELN