pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.40000009536743	QSARToolbox	0	-1	O=C(O)CCCC[C@H]1CCSS1	O=C([O-])CCCC[C@H]1CCSS1	mol36104	O=C(O)CCCC[C@H]1CCSS1