pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	OCHEM	1	0	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](C)C2	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2	mol138	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
8.62	OCHEM	1	0	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](C)C2	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2	mol138	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
8.21	Hunt	1	0	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](C)C2	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2	mol138	COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2