pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.9	AttenGpKa training set	0	-1	CC(=O)c1nc2ccccc2[nH]1	CC(=O)c1nc2ccccc2[n-]1	mol26402	CC(=O)c1nc2ccccc2[nH]1
4.1	AttenGpKa training set	1	0	CC(=O)c1[nH]c2ccccc2[nH+]1	CC(=O)c1nc2ccccc2[nH]1	mol26402	CC(=O)c1nc2ccccc2[nH]1