pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	Datawarrior	1	0	FC(F)(F)c1ccc2ccc[nH+]c2c1	FC(F)(F)c1ccc2cccnc2c1	mol4469	FC(F)(F)c1ccc2cccnc2c1
3.1600001	OCHEM	1	0	FC(F)(F)c1ccc2ccc[nH+]c2c1	FC(F)(F)c1ccc2cccnc2c1	mol4469	FC(F)(F)c1ccc2cccnc2c1