pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	IUPAC digitized pKa	1	0	[NH3+]c1cccc(S(F)(F)(F)(F)F)c1	Nc1cccc(S(F)(F)(F)(F)F)c1	mol6069	Nc1cccc(S(F)(F)(F)(F)F)c1
2.8199999332428	QSARToolbox	1	0	[NH3+]c1cccc(S(F)(F)(F)(F)F)c1	Nc1cccc(S(F)(F)(F)(F)F)c1	mol6069	Nc1cccc(S(F)(F)(F)(F)F)c1
2.88	AttenGpKa training set	1	0	[NH3+]c1cccc(S(F)(F)(F)(F)F)c1	Nc1cccc(S(F)(F)(F)(F)F)c1	mol6069	Nc1cccc(S(F)(F)(F)(F)F)c1