pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	Baltruschat ChEMBL	1	0	COc1cc([C@H](C#N)[NH+]2CCOCC2)ccc1O	COc1cc([C@H](C#N)N2CCOCC2)ccc1O	mol16359	COc1cc(C(C#N)N2CCOCC2)ccc1O