pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	IUPAC digitized pKa	1	0	O[C@H]1NC=[NH+]c2cc(C(F)(F)F)ccc21	O[C@H]1NC=Nc2cc(C(F)(F)F)ccc21	mol7888	OC1NC=Nc2cc(C(F)(F)F)ccc21