pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.93	AttenGpKa training set	0	-1	COc1nc(O)n(-c2ccccc2)n1	COc1nc([O-])n(-c2ccccc2)n1	mol25478	COc1nc(O)n(-c2ccccc2)n1
-3.4	AttenGpKa training set	2	1	COc1[nH+]c(O)n(-c2ccccc2)[nH+]1	COc1nc(O)n(-c2ccccc2)[nH+]1,COc1nn(-c2ccccc2)c(O)[nH+]1	mol25478	COc1nc(O)n(-c2ccccc2)n1