pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	Datawarrior	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	mol13450	COC(=O)[C@@H]1[C@H](O)C[C@@H]2CC[C@H]1N2C