pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	0	-1	[NH3+]c1ccc2c(S(=O)(=O)[O-])cccc2c1	Nc1ccc2c(S(=O)(=O)[O-])cccc2c1	mol5291	Nc1ccc2c(S(=O)(=O)O)cccc2c1
3.96	AttenGpKa training set	0	-1	[NH3+]c1ccc2c(S(=O)(=O)[O-])cccc2c1	Nc1ccc2c(S(=O)(=O)[O-])cccc2c1	mol5291	Nc1ccc2c(S(=O)(=O)O)cccc2c1