pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.31	AttenGpKa training set	1	0	Nc1cccc([NH+](C(F)(F)F)C(F)(F)F)c1,[NH3+]c1cccc(N(C(F)(F)F)C(F)(F)F)c1	Nc1cccc(N(C(F)(F)F)C(F)(F)F)c1	mol24026	Nc1cccc(N(C(F)(F)F)C(F)(F)F)c1