pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.27	IUPAC digitized pKa	1	0	CCOC(=O)c1nc(Cl)nc([NH3+])c1N,CCOC(=O)c1nc(Cl)[nH+]c(N)c1N,CCOC(=O)c1[nH+]c(Cl)nc(N)c1N,CCOC(=O)c1nc(Cl)nc(N)c1[NH3+]	CCOC(=O)c1nc(Cl)nc(N)c1N	mol4131	CCOC(=O)c1nc(Cl)nc(N)c1N