pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	IUPAC digitized pKa	1	0	CCCC[NH2+]c1ncccn1,CCCCNc1nccc[nH+]1	CCCCNc1ncccn1	mol1343	CCCCNc1ncccn1
4.09	AttenGpKa training set	1	0	CCCC[NH2+]c1ncccn1,CCCCNc1nccc[nH+]1	CCCCNc1ncccn1	mol1343	CCCCNc1ncccn1