[
  {
    "molid": "mol12339",
    "smiles": "O=C1CCC(Cl)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC[C@@H](Cl)C1=O",
        "std_free_energy": -4.479583740234375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]C[C@@H](Cl)C1=O",
        "std_free_energy": -2.1766538619995117,
        "relative_population": 0.2726766785514626
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CC[C-](Cl)C1=O",
        "std_free_energy": -3.157738208770752,
        "relative_population": 0.7273233214485374
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.0500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]