pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1	AttenGpKa training set	0	-1	CCOc1nc2ccccc2[nH]1	CCOc1nc2ccccc2[n-]1	mol26427	CCOc1nc2ccccc2[nH]1
4.18	AttenGpKa training set	1	0	CCOc1[nH]c2ccccc2[nH+]1	CCOc1nc2ccccc2[nH]1	mol26427	CCOc1nc2ccccc2[nH]1