pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	IUPAC digitized pKa	1	0	[NH3+]Nc1cc(Cl)ccc1Cl,N[NH2+]c1cc(Cl)ccc1Cl	NNc1cc(Cl)ccc1Cl	mol8839	NNc1cc(Cl)ccc1Cl
4.44000005722046	QSARToolbox	1	0	[NH3+]Nc1cc(Cl)ccc1Cl,N[NH2+]c1cc(Cl)ccc1Cl	NNc1cc(Cl)ccc1Cl	mol8839	NNc1cc(Cl)ccc1Cl