pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6	OCHEM	1	0	CC[C@H]1CCC[NH2+]1	CC[C@H]1CCCN1	mol3882	CCC1CCCN1
10.43	AttenGpKa training set	1	0	CC[C@H]1CCC[NH2+]1	CC[C@H]1CCCN1	mol3882	CCC1CCCN1