pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77	IUPAC digitized pKa	0	-1	[NH3+]c1ccccc1[As](=O)([O-])O,Nc1ccccc1[As](=O)(O)O	Nc1ccccc1[As](=O)([O-])O	mol5302	Nc1ccccc1[As](=O)(O)O
3.76999998092651	QSARToolbox	0	-1	[NH3+]c1ccccc1[As](=O)([O-])O,Nc1ccccc1[As](=O)(O)O	Nc1ccccc1[As](=O)([O-])O	mol5302	Nc1ccccc1[As](=O)(O)O
4.1	OCHEM	1	0	[NH3+]c1ccccc1[As](=O)(O)O	[NH3+]c1ccccc1[As](=O)([O-])O,Nc1ccccc1[As](=O)(O)O	mol5302	Nc1ccccc1[As](=O)(O)O
8.66	IUPAC digitized pKa	-1	-2	Nc1ccccc1[As](=O)([O-])O	Nc1ccccc1[As](=O)([O-])[O-]	mol5302	Nc1ccccc1[As](=O)(O)O
8.35	OCHEM	-1	-2	Nc1ccccc1[As](=O)([O-])O	Nc1ccccc1[As](=O)([O-])[O-]	mol5302	Nc1ccccc1[As](=O)(O)O
8.65999984741211	QSARToolbox	-1	-2	Nc1ccccc1[As](=O)([O-])O	Nc1ccccc1[As](=O)([O-])[O-]	mol5302	Nc1ccccc1[As](=O)(O)O