pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	OCHEM	0	-1	[NH3+]c1ccc2cc(S(=O)(=O)[O-])ccc2c1	Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1	mol5292	Nc1ccc2cc(S(=O)(=O)O)ccc2c1
3.74000000953674	QSARToolbox	0	-1	[NH3+]c1ccc2cc(S(=O)(=O)[O-])ccc2c1	Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1	mol5292	Nc1ccc2cc(S(=O)(=O)O)ccc2c1
3.74	AttenGpKa training set	0	-1	[NH3+]c1ccc2cc(S(=O)(=O)[O-])ccc2c1	Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1	mol5292	Nc1ccc2cc(S(=O)(=O)O)ccc2c1