pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	Datawarrior	1	0	COc1ccc(CO[NH3+])cc1	COc1ccc(CON)cc1	mol14213	COc1ccc(CON)cc1
4.4200001	OCHEM	1	0	COc1ccc(CO[NH3+])cc1	COc1ccc(CON)cc1	mol14213	COc1ccc(CON)cc1
4.42000007629395	QSARToolbox	1	0	COc1ccc(CO[NH3+])cc1	COc1ccc(CON)cc1	mol14213	COc1ccc(CON)cc1