pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.15	OCHEM	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	mol3047	COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
8.21000003814697	QSARToolbox	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	mol3047	COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C