[
  {
    "molid": "mol22604",
    "smiles": "CCCC(C(=O)O)C(CCC)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[C@H](C(=O)O)[C@H](CCC)C(=O)O",
        "std_free_energy": -1.8743197917938232,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC[C@H](C(=O)[O-])[C@H](CCC)C(=O)O",
        "std_free_energy": -8.605464935302734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]