pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	IUPAC digitized pKa	0	-1	[NH3+]c1cccc2ccc(S(=O)(=O)[O-])cc12,Nc1cccc2ccc(S(=O)(=O)O)cc12	Nc1cccc2ccc(S(=O)(=O)[O-])cc12	mol5287	Nc1cccc2ccc(S(=O)(=O)O)cc12
3.66000008583069	QSARToolbox	0	-1	[NH3+]c1cccc2ccc(S(=O)(=O)[O-])cc12,Nc1cccc2ccc(S(=O)(=O)O)cc12	Nc1cccc2ccc(S(=O)(=O)[O-])cc12	mol5287	Nc1cccc2ccc(S(=O)(=O)O)cc12