pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	0	-1	COc1ccc2c(c1[O-])C[NH+](C)CCc1cc3c(cc1C(=O)C2)OCO3,COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3	COc1ccc2c(c1[O-])CN(C)CCc1cc3c(cc1C(=O)C2)OCO3	mol15013	COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3