pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.1	IUPAC digitized pKa	2	1	Cn1[nH+]c(N)c(C(N)=O)[nH+]1,Cn1nc(C(N)=O)c([NH3+])[nH+]1,Cn1nc([NH3+])c(C(N)=O)[nH+]1	Cn1nc(C(N)=O)c(N)[nH+]1,Cn1nc(N)c(C(N)=O)[nH+]1,Cn1nc([NH3+])c(C(N)=O)n1	mol7643	Cn1nc(N)c(C(N)=O)n1