pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56	AttenGpKa training set	1	0	CCOC1=NO[C@@]2(C1)C[NH+]1CCC2CC1	CCOC1=NO[C@@]2(C1)CN1CCC2CC1	mol24633	CCOC1=NOC2(C1)CN1CCC2CC1