[
  {
    "molid": "mol149",
    "smiles": "Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc([O-])c([C@@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1",
        "std_free_energy": -3.042198657989502,
        "relative_population": 0.438194586045489
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(O)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1",
        "std_free_energy": -3.2906911373138428,
        "relative_population": 0.5618054139545109
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc([O-])c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1",
        "std_free_energy": 6.338131904602051,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]