pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.47	IUPAC digitized pKa	1	0	[NH3+]CC(Cl)(Cl)Cl	NCC(Cl)(Cl)Cl	mol2245	NCC(Cl)(Cl)Cl
5.26	IUPAC digitized pKa	1	0	[NH3+]CC(Cl)(Cl)Cl	NCC(Cl)(Cl)Cl	mol2245	NCC(Cl)(Cl)Cl
5.46999979019165	QSARToolbox	1	0	[NH3+]CC(Cl)(Cl)Cl	NCC(Cl)(Cl)Cl	mol2245	NCC(Cl)(Cl)Cl