pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	AttenGpKa training set	1	0	C1CCC2=[NH+]CCCN2CC1	C1CCC2=NCCCN2CC1	mol28029	C1CCC2=NCCCN2CC1