smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc(C=C[C@@H](O)CO)c([N+](=O)[O-])c([O-])[n-]1 ZINC000006021265 344735828 /nfs/dbraw/zinc/73/58/28/344735828.db2.gz QYWWFOLBMKSELS-ROFOPDMZSA-N -2 3 243.175 -1.662 40 5 BABBHL O=c1nc(C=C[C@H](O)CO)c([N+](=O)[O-])c([O-])[n-]1 ZINC000006021270 344735672 /nfs/dbraw/zinc/73/56/72/344735672.db2.gz QYWWFOLBMKSELS-QPHDTYRISA-N -2 3 243.175 -1.662 40 5 BABBHL