pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	2	1	c1cc([C@H]2C[C@@H](C[NH+]3CCOCC3)C2)ccc1C[NH+]1CCCC1	c1cc([C@H]2C[C@@H](C[NH+]3CCOCC3)C2)ccc1CN1CCCC1,c1cc([C@H]2C[C@@H](CN3CCOCC3)C2)ccc1C[NH+]1CCCC1	mol18755	c1cc([C@H]2C[C@@H](CN3CCOCC3)C2)ccc1CN1CCCC1