pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.422	IUPAC digitized pKa	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl
0.42	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl
0.421999990940094	QSARToolbox	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl
0.257666667	AttenGpKa training set	1	0	[NH3+]c1c(Cl)cccc1Cl	Nc1c(Cl)cccc1Cl	mol1666	Nc1c(Cl)cccc1Cl