pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	1	0	COc1cc([C@H](C#N)[NH+]2CCCC2)ccc1O	COc1cc([C@H](C#N)N2CCCC2)ccc1O	mol16358	COc1cc(C(C#N)N2CCCC2)ccc1O