pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.21	AttenGpKa training set	1	0	C[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]N,C[C@@H](Cc1ccc2c(c1)OCO2)N[NH3+]	C[C@@H](Cc1ccc2c(c1)OCO2)NN	mol24817	CC(Cc1ccc2c(c1)OCO2)NN