[
  {
    "molid": "mol32301",
    "smiles": "CCC(C(=O)O)C1(O)CC2CCC1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](C(=O)O)[C@]1(O)C[C@H]2CC[C@@H]1C2",
        "std_free_energy": -3.4280097484588623,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@H](C(=O)[O-])[C@]1(O)C[C@H]2CC[C@@H]1C2",
        "std_free_energy": -9.445466041564941,
        "relative_population": 0.9999977781667093
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]