pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.11	IUPAC digitized pKa	0	-1	CCCC[S@@](=O)O	CCCC[S@@](=O)[O-]	mol9245	CCCCS(=O)O
2.2	Datawarrior	0	-1	CCCC[S@@](=O)O	CCCC[S@@](=O)[O-]	mol9245	CCCCS(=O)O
2.10999989509583	QSARToolbox	0	-1	CCCC[S@@](=O)O	CCCC[S@@](=O)[O-]	mol9245	CCCCS(=O)O
2.09999990463257	QSARToolbox	0	-1	CCCC[S@@](=O)O	CCCC[S@@](=O)[O-]	mol9245	CCCCS(=O)O