pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55000019073486	QSARToolbox	0	-1	CCSC(O)O	CCSC([O-])O	mol15854	CCSC(O)O
6.55	AttenGpKa training set	0	-1	CCSC(O)O	CCSC([O-])O	mol15854	CCSC(O)O
7.62	AttenGpKa training set	0	-1	CCSC(O)O	CCSC([O-])O	mol15854	CCSC(O)O
11.48	Datawarrior	-1	-2	CCSC([O-])O	CCSC([O-])[O-]	mol15854	CCSC(O)O
11.5	QSARToolbox	-1	-2	CCSC([O-])O	CCSC([O-])[O-]	mol15854	CCSC(O)O
11.4799995422363	QSARToolbox	-1	-2	CCSC([O-])O	CCSC([O-])[O-]	mol15854	CCSC(O)O