pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	IUPAC digitized pKa	0	-1	O=C1CCc2ccc([N+](=O)[O-])c(O)c21	O=C1CCc2ccc([N+](=O)[O-])c([O-])c21	mol10958	O=C1CCc2ccc([N+](=O)[O-])c(O)c21