pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.067	IUPAC digitized pKa	1	0	CC[NH+](CC)CCNC(=O)c1cc(C)c(C)c(C)c1	CCN(CC)CCNC(=O)c1cc(C)c(C)c(C)c1	mol6173	CCN(CC)CCNC(=O)c1cc(C)c(C)c(C)c1
9.07	AttenGpKa training set	1	0	CC[NH+](CC)CCNC(=O)c1cc(C)c(C)c(C)c1	CCN(CC)CCNC(=O)c1cc(C)c(C)c(C)c1	mol6173	CCN(CC)CCNC(=O)c1cc(C)c(C)c(C)c1
