pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.15	AttenGpKa training set	0	-1	C/C(=N\O)c1ccccn1	C/C(=N\[O-])c1ccccn1	mol31514	C/C(=N\O)c1ccccn1
4.13	AttenGpKa training set	1	0	C/C(=[NH+]\O)c1ccccn1,C/C(=N\O)c1cccc[nH+]1	C/C(=N\O)c1ccccn1	mol31514	C/C(=N\O)c1ccccn1