pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.11	IUPAC digitized pKa	1	0	CCOC(=O)c1nc(S)nc(N)c1[NH3+],CCOC(=O)c1nc(S)[nH+]c(N)c1N,CCOC(=O)c1nc(S)nc([NH3+])c1N,CCOC(=O)c1[nH+]c(S)nc(N)c1N	CCOC(=O)c1nc(S)nc(N)c1N	mol4137	CCOC(=O)c1nc(S)nc(N)c1N