pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3100004	OCHEM	1	0	COc1ccc2c(c1OC(C)=O)[C@@]13CC[NH+](C)[C@@H](C2)[C@@H]1CC[C@@H](OC)C3	COc1ccc2c(c1OC(C)=O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CC[C@@H](OC)C3	mol32679	COc1ccc2c(c1OC(C)=O)C13CCN(C)C(C2)C1CCC(OC)C3