pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Datawarrior	1	0	ONc1[nH+]cnc2nc[nH]c12,ONc1ncnc2[nH+]c[nH]c12,ONc1nc[nH+]c2nc[nH]c12	ONc1ncnc2nc[nH]c12	mol4885	ONc1ncnc2nc[nH]c12
9.83	Datawarrior	-1	-2	[O-]Nc1ncnc2nc[nH]c12,ONc1ncnc2nc[n-]c12	[O-]Nc1ncnc2nc[n-]c12	mol4885	ONc1ncnc2nc[nH]c12
9.8299999	OCHEM	-1	-2	[O-]Nc1ncnc2nc[nH]c12,ONc1ncnc2nc[n-]c12	[O-]Nc1ncnc2nc[n-]c12	mol4885	ONc1ncnc2nc[nH]c12