pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Datawarrior	1	0	COCC[NH2+]c1ccc(C)cc1	COCCNc1ccc(C)cc1	mol12675	COCCNc1ccc(C)cc1
4.6399999	OCHEM	1	0	COCC[NH2+]c1ccc(C)cc1	COCCNc1ccc(C)cc1	mol12675	COCCNc1ccc(C)cc1
4.6399998664856	QSARToolbox	1	0	COCC[NH2+]c1ccc(C)cc1	COCCNc1ccc(C)cc1	mol12675	COCCNc1ccc(C)cc1