pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.875	IUPAC digitized pKa	1	0	CC[NH+](CC)CCNC(=O)c1ccccc1C	CCN(CC)CCNC(=O)c1ccccc1C	mol6165	CCN(CC)CCNC(=O)c1ccccc1C
8.88	AttenGpKa training set	1	0	CC[NH+](CC)CCNC(=O)c1ccccc1C	CCN(CC)CCNC(=O)c1ccccc1C	mol6165	CCN(CC)CCNC(=O)c1ccccc1C