smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000009295532 204305354 /nfs/dbraw/zinc/30/53/54/204305354.db2.gz MUIXXXNIBQFUNR-NSCUHMNNSA-N -2 1 384.142 2.031 50 5 GEBAML COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(Br)cc1O ZINC000009234818 204303599 /nfs/dbraw/zinc/30/35/99/204303599.db2.gz JERXKUPKSMSUFA-NSCUHMNNSA-N -2 1 384.142 2.031 50 5 GEBAML O=[N+]([O-])c1ccc(S(=O)(=O)[N-]N=c2[n-]c3ccccc3nc2Cl)cc1 ZINC000000984179 206338939 /nfs/dbraw/zinc/33/89/39/206338939.db2.gz GSURDCATOMSNMC-UHFFFAOYSA-N -2 1 379.785 2.497 50 5 GEBAML COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1O ZINC000013847651 207002503 /nfs/dbraw/zinc/00/25/03/207002503.db2.gz MUIXXXNIBQFUNR-IHWYPQMZSA-N -2 1 384.142 2.031 50 5 GEBAML