pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.25	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.12	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.05	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.0	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
2.96	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.225	OCHEM	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F
3.08	AttenGpKa training set	1	0	[NH3+]c1ccccc1F	Nc1ccccc1F	mol1049	Nc1ccccc1F