pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.35	Datawarrior	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O
2.3499999	OCHEM	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O
1.65	OCHEM	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O
2.34999990463257	QSARToolbox	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O
2.28	AttenGpKa training set	0	-1	C[S@](=O)O	C[S@](=O)[O-]	mol1877	C[S@](=O)O