pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Organic Oxygen Acids and Nitrogen Bases	0	-1	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO	COC(=O)c1cc(S([NH-])(=O)=O)ccc1S(=O)(=O)CCCO	mol20957	COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO