pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.58	IUPAC digitized pKa	1	0	[NH3+]CC(Cl)(Cl)C(Cl)(Cl)Cl	NCC(Cl)(Cl)C(Cl)(Cl)Cl	mol1468	NCC(Cl)(Cl)C(Cl)(Cl)Cl
6.57999992370606	QSARToolbox	1	0	[NH3+]CC(Cl)(Cl)C(Cl)(Cl)Cl	NCC(Cl)(Cl)C(Cl)(Cl)Cl	mol1468	NCC(Cl)(Cl)C(Cl)(Cl)Cl