pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	AttenGpKa training set	1	0	Nc1ccc([NH+](C(F)(F)F)C(F)(F)F)cc1,[NH3+]c1ccc(N(C(F)(F)F)C(F)(F)F)cc1	Nc1ccc(N(C(F)(F)F)C(F)(F)F)cc1	mol24025	Nc1ccc(N(C(F)(F)F)C(F)(F)F)cc1