pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	Baltruschat ChEMBL	1	0	COc1ccc([C@@H](C#N)[NH+]2CCOCC2)cc1O	COc1ccc([C@@H](C#N)N2CCOCC2)cc1O	mol16355	COc1ccc(C(C#N)N2CCOCC2)cc1O