pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.56	IUPAC digitized pKa	0	-1	[NH3+]CC[S@](=O)[O-]	NCC[S@](=O)[O-]	mol8977	NCCS(=O)O
2.16	IUPAC digitized pKa	1	0	[NH3+]CC[S@](=O)O	[NH3+]CC[S@](=O)[O-]	mol8977	NCCS(=O)O
2.16000008583069	QSARToolbox	1	0	[NH3+]CC[S@](=O)O	[NH3+]CC[S@](=O)[O-]	mol8977	NCCS(=O)O