pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.76	AttenGpKa training set	1	0	OC[C@H](O)C[NH+]1CCOCC1	OC[C@H](O)CN1CCOCC1	mol24570	OCC(O)CN1CCOCC1