pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.19	AttenGpKa training set	0	-1	Cc1[nH]cnc1F	Cc1[n-]cnc1F	mol25246	Cc1[nH]cnc1F
3.14	AttenGpKa training set	1	0	Cc1[nH]c[nH+]c1F	Cc1[nH]cnc1F	mol25246	Cc1[nH]cnc1F