pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7	AttenGpKa training set	0	-1	COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1	COc1ccc(-c2nc(C(F)(F)F)[n-]c2-c2ccc(OC)cc2)cc1	mol29921	COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1