pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.1	IUPAC digitized pKa	2	1	CC[NH+]1CC=[NH+]c2c(O)nc(O)nc21,CC[NH+]1CC=[NH+]c2c([O-])nc(O)[nH+]c21	CC[NH+]1CC=Nc2c(O)nc(O)nc21,CCN1CC=Nc2c(O)nc(O)[nH+]c21,CCN1CC=[NH+]c2c(O)nc(O)nc21	mol8191	CCN1CC=Nc2c(O)nc(O)nc21
10.15	IUPAC digitized pKa	-1	-2	CCN1CC=Nc2c([O-])nc(O)nc21,CCN1CC=Nc2c(O)nc([O-])nc21	CCN1CC=Nc2c([O-])nc([O-])nc21	mol8191	CCN1CC=Nc2c(O)nc(O)nc21