pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.99	IUPAC digitized pKa	1	0	COc1nc(N)[nH+]c2nc(C)c(C)nc12,COc1nc(N)nc2nc(C)c(C)[nH+]c12,COc1[nH+]c(N)nc2nc(C)c(C)nc12,COc1nc([NH3+])nc2nc(C)c(C)nc12,COc1nc(N)nc2[nH+]c(C)c(C)nc12	COc1nc(N)nc2nc(C)c(C)nc12	mol4736	COc1nc(N)nc2nc(C)c(C)nc12