pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4499998	OCHEM	0	-1	COc1cc2c(cc1OC)[C@]13CC[NH+]4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@]5(S(=O)(=O)[O-])C[C@@H]43	COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@]5(S(=O)(=O)[O-])C[C@@H]43	mol32802	COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5(S(=O)(=O)O)CC43