pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.19	IUPAC digitized pKa	0	-1	Oc1ncnc2[nH]nnc12	Oc1ncnc2[n-]nnc12,[O-]c1ncnc2[nH]nnc12	mol8353	Oc1ncnc2[nH]nnc12
-1.6	IUPAC digitized pKa	2	1	[O-]c1nc[nH+]c2[nH][nH+][nH+]c12,Oc1ncnc2[nH][nH+][nH+]c12	Oc1ncnc2[nH]n[nH+]c12,Oc1[nH+]cnc2[nH]nnc12,Oc1nc[nH+]c2[nH]nnc12,Oc1ncnc2[nH][nH+]nc12	mol8353	Oc1ncnc2[nH]nnc12
10.83	IUPAC digitized pKa	-1	-2	Oc1ncnc2[n-]nnc12,[O-]c1ncnc2[nH]nnc12	[O-]c1ncnc2[n-]nnc12	mol8353	Oc1ncnc2[nH]nnc12