pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09	Datawarrior	1	0	FC(F)(F)c1cccc2[nH+]cccc12	FC(F)(F)c1cccc2ncccc12	mol4468	FC(F)(F)c1cccc2ncccc12
3.0899999	OCHEM	1	0	FC(F)(F)c1cccc2[nH+]cccc12	FC(F)(F)c1cccc2ncccc12	mol4468	FC(F)(F)c1cccc2ncccc12
3.1	AttenGpKa training set	1	0	FC(F)(F)c1cccc2[nH+]cccc12	FC(F)(F)c1cccc2ncccc12	mol4468	FC(F)(F)c1cccc2ncccc12