pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.39	Datawarrior	0	-1	O=C(O)C[C@@H]1CCCCO1	O=C([O-])C[C@@H]1CCCCO1	mol12946	O=C(O)CC1CCCCO1
4.3899999	OCHEM	0	-1	O=C(O)C[C@@H]1CCCCO1	O=C([O-])C[C@@H]1CCCCO1	mol12946	O=C(O)CC1CCCCO1
4.3899998664856	QSARToolbox	0	-1	O=C(O)C[C@@H]1CCCCO1	O=C([O-])C[C@@H]1CCCCO1	mol12946	O=C(O)CC1CCCCO1