pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.43	IUPAC digitized pKa	0	-1	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1	O=C([O-])C[Se]c1ccc([N+](=O)[O-])cc1	mol10763	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1
3.46	Datawarrior	0	-1	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1	O=C([O-])C[Se]c1ccc([N+](=O)[O-])cc1	mol10763	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1
3.49000000953674	QSARToolbox	0	-1	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1	O=C([O-])C[Se]c1ccc([N+](=O)[O-])cc1	mol10763	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1
3.4300000667572	QSARToolbox	0	-1	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1	O=C([O-])C[Se]c1ccc([N+](=O)[O-])cc1	mol10763	O=C(O)C[Se]c1ccc([N+](=O)[O-])cc1