pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	Datawarrior	0	-1	CC[S@](=O)O	CC[S@](=O)[O-]	mol15906	CCS(=O)O
2.26999998092651	QSARToolbox	0	-1	CC[S@](=O)O	CC[S@](=O)[O-]	mol15906	CCS(=O)O