pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	IUPAC digitized pKa	1	0	[NH3+]c1ncc(Cl)cc1Cl,Nc1[nH+]cc(Cl)cc1Cl	Nc1ncc(Cl)cc1Cl	mol2519	Nc1ncc(Cl)cc1Cl
2.67	AttenGpKa training set	1	0	[NH3+]c1ncc(Cl)cc1Cl,Nc1[nH+]cc(Cl)cc1Cl	Nc1ncc(Cl)cc1Cl	mol2519	Nc1ncc(Cl)cc1Cl