pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.43	IUPAC digitized pKa	0	-1	CCCCCCCCCCCCCC[C@@H](C(=O)O)S(=O)(=O)O	CCCCCCCCCCCCCC[C@@H](C(=O)O)S(=O)(=O)[O-],CCCCCCCCCCCCCC[C@@H](C(=O)[O-])S(=O)(=O)O	mol12095	CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O
5.15	IUPAC digitized pKa	-1	-2	CCCCCCCCCCCCCC[C@@H](C(=O)O)S(=O)(=O)[O-],CCCCCCCCCCCCCC[C@@H](C(=O)[O-])S(=O)(=O)O	CCCCCCCCCCCCCC[C@@H](C(=O)[O-])S(=O)(=O)[O-]	mol12095	CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O