pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0999999	OCHEM	2	1	NC(=O)N[NH+]=Cc1nc[nH+]c2nc[nH]c12,NC(=O)NN=Cc1[nH+]c[nH+]c2nc[nH]c12,NC(=O)N[NH+]=Cc1[nH+]cnc2nc[nH]c12,NC(=O)NN=Cc1nc[nH+]c2[nH+]c[nH]c12,NC(=O)NN=Cc1[nH+]cnc2[nH+]c[nH]c12,NC(=O)N[NH+]=Cc1ncnc2[nH+]c[nH]c12	NC(=O)NN=Cc1nc[nH+]c2nc[nH]c12,NC(=O)N[NH+]=Cc1ncnc2nc[nH]c12,NC(=O)NN=Cc1[nH+]cnc2nc[nH]c12,NC(=O)NN=Cc1ncnc2[nH+]c[nH]c12	mol32556	NC(=O)NN=Cc1ncnc2nc[nH]c12
9.1000004	OCHEM	-1	-2	NC(=O)[N-]N=Cc1ncnc2nc[nH]c12,NC(=O)NN=Cc1ncnc2nc[n-]c12	[NH-]C(=O)[N-]N=Cc1ncnc2nc[nH]c12,[NH-]C(=O)NN=Cc1ncnc2nc[n-]c12,NC(=O)[N-]N=Cc1ncnc2nc[n-]c12	mol32556	NC(=O)NN=Cc1ncnc2nc[nH]c12