pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.16	IUPAC digitized pKa	1	0	COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)[NH+]2C	COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C	mol5179	COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C