pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.92	IUPAC digitized pKa	1	0	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	NNc1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1
4.85	OCHEM	1	0	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	NNc1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1
4.78000020980835	QSARToolbox	1	0	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	NNc1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1
4.92000007629395	QSARToolbox	1	0	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	NNc1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1
4.78	AttenGpKa training set	1	0	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	NNc1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1
-8.9	AttenGpKa training set	2	1	[NH3+][NH2+]c1cccc(Cl)c1	[NH3+]Nc1cccc(Cl)c1,N[NH2+]c1cccc(Cl)c1	mol8829	NNc1cccc(Cl)c1