pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Datawarrior	0	-1	Nc1nc2nc[nH]c2c(N)[n+]1[O-]	Nc1nc2nc[n-]c2c(N)[n+]1[O-]	mol12791	Nc1nc2nc[nH]c2c(N)[n+]1[O-]
12.0	Datawarrior	0	-1	Nc1nc2nc[nH]c2c(N)[n+]1[O-]	Nc1nc2nc[n-]c2c(N)[n+]1[O-]	mol12791	Nc1nc2nc[nH]c2c(N)[n+]1[O-]
9.6999998	OCHEM	0	-1	Nc1nc2nc[nH]c2c(N)[n+]1[O-]	Nc1nc2nc[n-]c2c(N)[n+]1[O-]	mol12791	Nc1nc2nc[nH]c2c(N)[n+]1[O-]
3.7	Datawarrior	1	0	Nc1nc2nc[nH]c2c(N)[n+]1O,Nc1c2[nH]cnc2nc([NH3+])[n+]1[O-]	Nc1nc2nc[nH]c2c(N)[n+]1[O-]	mol12791	Nc1nc2nc[nH]c2c(N)[n+]1[O-]