pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	IUPAC digitized pKa	1	0	COC(Nc1nc(NC(OC)OC)[nH+]c(NC(OC)OC)n1)OC,COC(Nc1nc(NC(OC)OC)nc([NH2+]C(OC)OC)n1)OC	COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC	mol4278	COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC
2.2	IUPAC digitized pKa	1	0	COC(Nc1nc(NC(OC)OC)[nH+]c(NC(OC)OC)n1)OC,COC(Nc1nc(NC(OC)OC)nc([NH2+]C(OC)OC)n1)OC	COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC	mol4278	COC(Nc1nc(NC(OC)OC)nc(NC(OC)OC)n1)OC