pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	OCHEM	0	-1	O=C1C=C(O)CC1	O=C1C=C([O-])CC1	mol21250	O=C1C=C(O)CC1
5.23000001907349	QSARToolbox	0	-1	O=C1C=C(O)CC1	O=C1C=C([O-])CC1	mol21250	O=C1C=C(O)CC1
4.36	AttenGpKa training set	0	-1	O=C1C=C(O)CC1	O=C1C=C([O-])CC1	mol21250	O=C1C=C(O)CC1