pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	IUPAC digitized pKa	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F
5.59	IUPAC digitized pKa	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F
5.6	IUPAC digitized pKa	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F
5.66	AttenGpKa training set	1	0	[NH3+]CC(F)(F)F	NCC(F)(F)F	mol193	NCC(F)(F)F