pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	AttenGpKa training set	2	1	NC1=[NH+]c2c([nH+]cn2COCCO)CN1,NC1=Nc2c([nH+]cn2COCC[OH2+])CN1	NC1=[NH+]c2c(ncn2COCCO)CN1,NC1=Nc2c([nH+]cn2COCCO)CN1	mol29585	NC1=Nc2c(ncn2COCCO)CN1