pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	1	0	c1cnc2c(c1)C[C@@]1(C[NH+]3CCC1CC3)O2	c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2	mol19722	c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2