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([O-])c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000004963589 385543822 /nfs/dbraw/zinc/54/38/22/385543822.db2.gz VIISNFKYOKHEAI-UHFFFAOYSA-N -2 1 249.182 0.772 10 10 BCCEML O=C([O-])c1c(F)c(O)c([O-])c(O)c1F ZINC000039096498 188290739 /nfs/dbraw/zinc/29/07/39/188290739.db2.gz UDKMHUPRULROAS-UHFFFAOYSA-N -2 1 206.100 0.780 10 10 BCCEML