pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	IUPAC digitized pKa	1	0	[NH3+]CCCC(Cl)(Cl)Cl	NCCCC(Cl)(Cl)Cl	mol2375	NCCCC(Cl)(Cl)Cl
9.93000030517578	QSARToolbox	1	0	[NH3+]CCCC(Cl)(Cl)Cl	NCCCC(Cl)(Cl)Cl	mol2375	NCCCC(Cl)(Cl)Cl
9.81	AttenGpKa training set	1	0	[NH3+]CCCC(Cl)(Cl)Cl	NCCCC(Cl)(Cl)Cl	mol2375	NCCCC(Cl)(Cl)Cl