pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	0	-1	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCO)c(N)c1	mol20982	Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO