pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.195	AttenGpKa training set	1	0	COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCC[NH+]3CC4)c2c1	COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCCN3CC4)c2c1	mol29835	COc1ccc2nccc([C@H](O)C3CC4CCCN3CC4)c2c1