pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	OCHEM	1	0	COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1	mol1959	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
9.7	Baltruschat ChEMBL	1	0	COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1	mol1959	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
10.0	Baltruschat ChEMBL	1	0	COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1	mol1959	COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1