pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	IUPAC digitized pKa	0	-1	Nc1cccc2cc(S(=O)(=O)O)ccc12,[NH3+]c1cccc2cc(S(=O)(=O)[O-])ccc12	Nc1cccc2cc(S(=O)(=O)[O-])ccc12	mol5286	Nc1cccc2cc(S(=O)(=O)O)ccc12
3.79999995231628	QSARToolbox	0	-1	Nc1cccc2cc(S(=O)(=O)O)ccc12,[NH3+]c1cccc2cc(S(=O)(=O)[O-])ccc12	Nc1cccc2cc(S(=O)(=O)[O-])ccc12	mol5286	Nc1cccc2cc(S(=O)(=O)O)ccc12