pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.64	OCHEM	0	-1	O=C(O)CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1	O=C([O-])CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1	mol33006	O=C(O)COC1CCC2CCCCC2C1
3.64000010490417	QSARToolbox	0	-1	O=C(O)CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1	O=C([O-])CO[C@@H]1CC[C@@H]2CCCC[C@H]2C1	mol33006	O=C(O)COC1CCC2CCCCC2C1