[
  {
    "molid": "mol37819",
    "smiles": "C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@H]3[C@@H]1CCC2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@H]3[C@@H]1CCC2=O",
        "std_free_energy": -0.49971455335617065,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@]12CC[C@@H]3c4ccc(OP(=O)([O-])O)cc4CC[C@H]3[C@@H]1CCC2=O",
        "std_free_energy": -12.051095962524414,
        "relative_population": 0.999999496113043
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.86999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]