pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	Datawarrior	0	-1	O=C(O)C[C@]1(O)C[C@H]2CC[C@@H]1C2	O=C([O-])C[C@]1(O)C[C@H]2CC[C@@H]1C2	mol12747	O=C(O)C[C@]1(O)C[C@H]2CC[C@@H]1C2