pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	AttenGpKa training set	0	-1	Cc1[nH+]cc(CO)c(/C=N/O)c1[O-],Cc1ncc(CO)c(/C=N/O)c1O	Cc1ncc(CO)c(/C=N/O)c1[O-],Cc1ncc(CO)c(/C=N/[O-])c1O	mol25102	Cc1ncc(CO)c(/C=N/O)c1O
4.1	AttenGpKa training set	1	0	Cc1[nH+]cc(CO)c(/C=N/O)c1O,Cc1ncc(CO)c(/C=[NH+]/O)c1O	Cc1[nH+]cc(CO)c(/C=N/O)c1[O-],Cc1ncc(CO)c(/C=N/O)c1O	mol25102	Cc1ncc(CO)c(/C=N/O)c1O
10.0	AttenGpKa training set	-1	-2	Cc1ncc(CO)c(/C=N/O)c1[O-],Cc1ncc(CO)c(/C=N/[O-])c1O	Cc1ncc(CO)c(/C=N/[O-])c1[O-]	mol25102	Cc1ncc(CO)c(/C=N/O)c1O