pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.26	IUPAC digitized pKa	0	-1	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol10510	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
3.11	IUPAC digitized pKa	0	-1	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol10510	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
3.1	OCHEM	0	-1	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol10510	CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O