pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	AttenGpKa training set	0	-1	Fc1cc(F)c2[nH]cnc2c1F	Fc1cc(F)c2[n-]cnc2c1F	mol26439	Fc1cc(F)c2[nH]cnc2c1F
2.5	AttenGpKa training set	1	0	Fc1cc(F)c2[nH]c[nH+]c2c1F	Fc1cc(F)c2[nH]cnc2c1F	mol26439	Fc1cc(F)c2[nH]cnc2c1F