pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	Datawarrior	2	1	C[NH+](C)Cc1ccc(C[NH+](C)C)c(O)c1O	CN(C)Cc1ccc(C[NH+](C)C)c(O)c1O	mol14442	CN(C)Cc1ccc(CN(C)C)c(O)c1O
6.3899999	OCHEM	2	1	C[NH+](C)Cc1ccc(C[NH+](C)C)c(O)c1O	CN(C)Cc1ccc(C[NH+](C)C)c(O)c1O	mol14442	CN(C)Cc1ccc(CN(C)C)c(O)c1O
6.3899998664856	QSARToolbox	2	1	C[NH+](C)Cc1ccc(C[NH+](C)C)c(O)c1O	CN(C)Cc1ccc(C[NH+](C)C)c(O)c1O	mol14442	CN(C)Cc1ccc(CN(C)C)c(O)c1O