pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	OCHEM	1	0	COC(=[NH2+])c1ccccc1	COC(=N)c1ccccc1	mol27935	COC(=N)c1ccccc1
5.6	AttenGpKa training set	1	0	COC(=[NH2+])c1ccccc1	COC(=N)c1ccccc1	mol27935	COC(=N)c1ccccc1