pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	Hunt	1	0	COc1ccc([C@H](C[NH+](C)C)C2(O)CCCCC2)cc1	COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1	mol2309	COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1