pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	IUPAC digitized pKa	0	-1	CC(C)Oc1nc(N)nc2nc(O)cnc12	CC(C)Oc1nc(N)nc2nc([O-])cnc12	mol8087	CC(C)Oc1nc(N)nc2nc(O)cnc12
0.74	IUPAC digitized pKa	2	1	CC(C)Oc1[nH+]c(N)[nH+]c2nc([O-])c[nH+]c12,CC(C)Oc1[nH+]c([NH3+])[nH+]c2nc([O-])cnc12,CC(C)Oc1nc([NH3+])[nH+]c2nc(O)cnc12,CC(C)Oc1[nH+]c(N)[nH+]c2nc(O)cnc12	CC(C)Oc1nc(N)[nH+]c2nc(O)cnc12,CC(C)Oc1nc([NH3+])nc2nc(O)cnc12,CC(C)Oc1[nH+]c(N)nc2nc(O)cnc12	mol8087	CC(C)Oc1nc(N)nc2nc(O)cnc12