pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	Datawarrior	1	0	CCOCC[NH2+]c1ccccc1	CCOCCNc1ccccc1	mol12681	CCOCCNc1ccccc1
4.03999996185303	QSARToolbox	1	0	CCOCC[NH2+]c1ccccc1	CCOCCNc1ccccc1	mol12681	CCOCCNc1ccccc1