pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.45	Baltruschat ChEMBL	-1	-2	NS(=O)(=O)c1ccc(SCCO)c(C(=O)[O-])c1	[NH-]S(=O)(=O)c1ccc(SCCO)c(C(=O)[O-])c1	mol20953	NS(=O)(=O)c1ccc(SCCO)c(C(=O)O)c1