[
  {
    "molid": "mol13325",
    "smiles": "O=C(O)/C=C/C(O)=C/C(=O)CC(=O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C([O-])/C=C/C([O-])=C/C(=O)[CH-]C(=O)[O-]",
        "std_free_energy": 4.577600479125977,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])/C=C/C([O-])=C/C(=O)CC(=O)[O-]",
        "std_free_energy": -4.508742332458496,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "Datawarrior"
      }
    ]
  }
]