pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	IUPAC digitized pKa	1	0	CCc1cnc([NH2+]C)nc1,CCc1cnc(NC)[nH+]c1	CCc1cnc(NC)nc1	mol2146	CCc1cnc(NC)nc1
4.31	AttenGpKa training set	1	0	CCc1cnc([NH2+]C)nc1,CCc1cnc(NC)[nH+]c1	CCc1cnc(NC)nc1	mol2146	CCc1cnc(NC)nc1