pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.049	IUPAC digitized pKa	1	0	CC[NH+](CC)CCNC(=O)c1ccccc1	CCN(CC)CCNC(=O)c1ccccc1	mol6158	CCN(CC)CCNC(=O)c1ccccc1
9.05	AttenGpKa training set	1	0	CC[NH+](CC)CCNC(=O)c1ccccc1	CCN(CC)CCNC(=O)c1ccccc1	mol6158	CCN(CC)CCNC(=O)c1ccccc1