pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5299997	OCHEM	1	0	COC(=O)[C@H]1[C@H](O)C[C@H]2CC[C@@H]1[NH+]2C	COC(=O)[C@H]1[C@H](O)C[C@H]2CC[C@@H]1N2C	mol32772	COC(=O)C1C(O)CC2CCC1N2C