pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6000004	OCHEM	1	0	COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@H](C2)[NH+](C)CC[C@@]314	COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@H](C2)N(C)CC[C@@]314	mol32661	COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314
9.0	OCHEM	1	0	COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@H](C2)[NH+](C)CC[C@@]314	COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@]4(O)[C@H](C2)N(C)CC[C@@]314	mol32661	COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314