[
  {
    "molid": "mol13369",
    "smiles": "CC1CCCC(C(=O)O)c2nnnn21",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "C[C@H]1CCC[C@@H](C(=O)O)c2nnnn21",
        "std_free_energy": -3.2212793827056885,
        "relative_population": 0.9994128696083293
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CCC[C@@H](C(=O)[O-])c2nnnn21",
        "std_free_energy": -10.860700607299805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]