pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	AttenGpKa training set	1	0	NC(=[OH+])[C@H]1COC(c2ccccc2)=N1,NC(=O)[C@H]1COC(c2ccccc2)=[NH+]1	NC(=O)[C@H]1COC(c2ccccc2)=N1	mol30267	NC(=O)C1COC(c2ccccc2)=N1