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([N-]c1ccccc1[N+](=O)[O-])c1cc2sc3ccccc3c2s1 ZINC000005526032 204213402 /nfs/dbraw/zinc/21/34/02/204213402.db2.gz LYAGONDRXVQIRE-UHFFFAOYSA-N -1 3 354.412 5.277 10 5 FKBEHM Cc1cc(C)cc(Nc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])c1 ZINC000040583011 205073418 /nfs/dbraw/zinc/07/34/18/205073418.db2.gz MBHZMTHTUZKUOK-UHFFFAOYSA-N -1 3 369.812 5.142 10 5 FKBEHM Cc1cccc(Nc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])c1C ZINC000040620519 205074921 /nfs/dbraw/zinc/07/49/21/205074921.db2.gz URJPGXCLCGIEJI-UHFFFAOYSA-N -1 3 369.812 5.142 10 5 FKBEHM Cc1ccc(Oc2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])cc1C ZINC000040648221 208260699 /nfs/dbraw/zinc/26/06/99/208260699.db2.gz LFRLIGBLQCWRSS-UHFFFAOYSA-N -1 3 370.796 5.191 10 5 FKBEHM