pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	Datawarrior	2	1	[NH3+]c1nc2nc[nH]c2c([NH3+])[n+]1[O-],Nc1nc2[nH+]c[nH]c2c([NH3+])[n+]1[O-],Nc1nc2nc[nH]c2c([NH3+])[n+]1O,Nc1c2[nH]cnc2nc([NH3+])[n+]1O,Nc1[nH+]c2[nH+]c[nH]c2c(N)[n+]1[O-],Nc1c2[nH]c[nH+]c2nc([NH3+])[n+]1[O-],Nc1[nH+]c2nc[nH]c2c([NH3+])[n+]1[O-],Nc1c2[nH]cnc2[nH+]c([NH3+])[n+]1[O-]	Nc1nc2nc[nH]c2c(N)[n+]1O,Nc1c2[nH]cnc2nc([NH3+])[n+]1[O-]	mol12792	Nc1nc2nc[nH]c2c(N)[n+]1O