pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.55	AttenGpKa training set	2	1	CCOc1[nH+]c(OCC)n(-c2ccccc2)[nH+]1	CCOc1nn(-c2ccccc2)c(OCC)[nH+]1,CCOc1nc(OCC)n(-c2ccccc2)[nH+]1	mol25549	CCOc1nc(OCC)n(-c2ccccc2)n1