pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1	CC(C)(O)CCSc1ccc(S([NH-])(=O)=O)cc1	mol20973	CC(C)(O)CCSc1ccc(S(N)(=O)=O)cc1