pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.07999992370605	QSARToolbox	0	-1	O=C(O)[C@]12C[C@]([N+](=O)[O-])(C1)C2	O=C([O-])[C@]12C[C@]([N+](=O)[O-])(C1)C2	mol22337	O=C(O)C12CC([N+](=O)[O-])(C1)C2
3.08	AttenGpKa training set	0	-1	O=C(O)[C@]12C[C@]([N+](=O)[O-])(C1)C2	O=C([O-])[C@]12C[C@]([N+](=O)[O-])(C1)C2	mol22337	O=C(O)C12CC([N+](=O)[O-])(C1)C2