pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68	Datawarrior	0	-1	O=C(O)[C@H]1CCCC[C@@H]1O	O=C([O-])[C@H]1CCCC[C@@H]1O	mol1902	O=C(O)[C@H]1CCCC[C@@H]1O
4.34	OCHEM	0	-1	O=C(O)[C@H]1CCCC[C@@H]1O	O=C([O-])[C@H]1CCCC[C@@H]1O	mol1902	O=C(O)[C@H]1CCCC[C@@H]1O
4.67999982833862	QSARToolbox	0	-1	O=C(O)[C@H]1CCCC[C@@H]1O	O=C([O-])[C@H]1CCCC[C@@H]1O	mol1902	O=C(O)[C@H]1CCCC[C@@H]1O