pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	IUPAC digitized pKa	1	0	CC[NH2+]c1ncccn1,CCNc1nccc[nH+]1	CCNc1ncccn1	mol1352	CCNc1ncccn1
4.03	AttenGpKa training set	1	0	CC[NH2+]c1ncccn1,CCNc1nccc[nH+]1	CCNc1ncccn1	mol1352	CCNc1ncccn1