pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91	AttenGpKa training set	1	0	OC1=[NH+]c2ncncc2N[C@H]1O,OC1=Nc2nc[nH+]cc2N[C@H]1O,OC1=Nc2[nH+]cncc2N[C@H]1O	OC1=Nc2ncncc2N[C@H]1O	mol26236	OC1=Nc2ncncc2NC1O