pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.38	AttenGpKa training set	1	0	COc1ccc(C(=N[NH3+])c2ccc(OC)cc2)cc1,COc1ccc(C(=[NH+]N)c2ccc(OC)cc2)cc1	COc1ccc(C(=NN)c2ccc(OC)cc2)cc1	mol24886	COc1ccc(C(=NN)c2ccc(OC)cc2)cc1