pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	IUPAC digitized pKa	1	0	CSC1=Nc2[nH+]ccnc2CN1,CSC1=[NH+]c2nccnc2CN1,CSC1=Nc2ncc[nH+]c2CN1	CSC1=Nc2nccnc2CN1	mol8160	CSC1=Nc2nccnc2CN1
5.01	AttenGpKa training set	1	0	CSC1=Nc2[nH+]ccnc2CN1,CSC1=[NH+]c2nccnc2CN1,CSC1=Nc2ncc[nH+]c2CN1	CSC1=Nc2nccnc2CN1	mol8160	CSC1=Nc2nccnc2CN1