smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)c([N+](=O)[O-])c(C=C[C@@H](O)CO)[nH]1 ZINC000006021265 344735827 /nfs/dbraw/zinc/73/58/27/344735827.db2.gz QYWWFOLBMKSELS-ROFOPDMZSA-N -2 2 243.175 -1.662 40 5 BABBLL O=c1[nH]c(=O)c([N+](=O)[O-])c(C=C[C@H](O)CO)[nH]1 ZINC000006021270 344735667 /nfs/dbraw/zinc/73/56/67/344735667.db2.gz QYWWFOLBMKSELS-QPHDTYRISA-N -2 2 243.175 -1.662 40 5 BABBLL