pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	IUPAC digitized pKa	0	-1	CSCC[C@](C)([NH3+])C(=O)[O-]	CSCC[C@](C)(N)C(=O)[O-]	mol8558	CSCCC(C)(N)C(=O)O
9.44999980926514	QSARToolbox	0	-1	CSCC[C@](C)([NH3+])C(=O)[O-]	CSCC[C@](C)(N)C(=O)[O-]	mol8558	CSCCC(C)(N)C(=O)O