pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.13	AttenGpKa training set	2	1	COc1ccc(/[NH+]=[NH+]/c2ccc(N(C)C)cc2)cc1	COc1ccc(/N=[NH+]/c2ccc(N(C)C)cc2)cc1,COc1ccc(/N=N/c2ccc([NH+](C)C)cc2)cc1	mol3401	COc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1