pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.82	AttenGpKa training set	0	-1	O=C(NO)c1c[nH]cn1	O=C([N-]O)c1c[nH]cn1,O=C(N[O-])c1c[nH]cn1	mol31395	O=C(NO)c1c[nH]cn1
3.76	AttenGpKa training set	1	0	ONC(=[OH+])c1c[nH]cn1,O=C(NO)c1c[nH]c[nH+]1	O=C(NO)c1c[nH]cn1	mol31395	O=C(NO)c1c[nH]cn1