pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Baltruschat ChEMBL	1	0	FC(F)(F)c1ccc(Nc2[nH+]cnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1,FC(F)(F)c1ccc([NH2+]c2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1,FC(F)(F)c1ccc(Nc2ncnc3cc(-c4[nH+]cccc4C(F)(F)F)ccc23)cc1,FC(F)(F)c1ccc(Nc2nc[nH+]c3cc(-c4ncccc4C(F)(F)F)ccc23)cc1	FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1	mol17999	FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1