[
  {
    "molid": "mol109",
    "smiles": "CN(C)CCOC1(c2ccccc2)CC2CCC1(C)C2(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCO[C@@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C",
        "std_free_energy": -3.074550151824951,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCO[C@@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C",
        "std_free_energy": -8.061738967895508,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]