pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	IUPAC digitized pKa	1	0	COC(=O)c1cc[nH+]c(N)c1,COC(=O)c1ccnc([NH3+])c1	COC(=O)c1ccnc(N)c1	mol1594	COC(=O)c1ccnc(N)c1