pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.94	Datawarrior	0	-1	C[C@H]1S[C@](C)(C(=O)O)OC1=O	C[C@H]1S[C@](C)(C(=O)[O-])OC1=O	mol14092	CC1SC(C)(C(=O)O)OC1=O
1.9400001	OCHEM	0	-1	C[C@H]1S[C@](C)(C(=O)O)OC1=O	C[C@H]1S[C@](C)(C(=O)[O-])OC1=O	mol14092	CC1SC(C)(C(=O)O)OC1=O
1.94000005722046	QSARToolbox	0	-1	C[C@H]1S[C@](C)(C(=O)O)OC1=O	C[C@H]1S[C@](C)(C(=O)[O-])OC1=O	mol14092	CC1SC(C)(C(=O)O)OC1=O