pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	1	0	COc1c[nH+]ccc1C=O	COc1cnccc1C=O	mol3713	COc1cnccc1C=O
4.4499998	OCHEM	1	0	COc1c[nH+]ccc1C=O	COc1cnccc1C=O	mol3713	COc1cnccc1C=O