pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.12	AttenGpKa training set	2	1	O/[NH+]=C1\CCC/C(=[NH+]\O)N1	O/N=C1\CCC/C(=[NH+]\O)N1	mol31530	O/N=C1\CCC/C(=N\O)N1
12.06	AttenGpKa training set	-1	-2	[O-]/N=C1\CCC/C(=N\O)N1,O/N=C1\CCC/C(=N\O)[N-]1	[O-]/N=C1\CCC/C(=N\O)[N-]1	mol31530	O/N=C1\CCC/C(=N\O)N1
10.7	AttenGpKa training set	-1	-2	[O-]/N=C1\CCC/C(=N\O)N1,O/N=C1\CCC/C(=N\O)[N-]1	[O-]/N=C1\CCC/C(=N\O)[N-]1	mol31530	O/N=C1\CCC/C(=N\O)N1