[
  {
    "molid": "mol34085",
    "smiles": "CCC(C)(CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@](C)(CC(=O)O)C(=O)O",
        "std_free_energy": -2.9793899059295654,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@](C)(CC(=O)[O-])C(=O)O",
        "std_free_energy": -8.968445777893066,
        "relative_population": 0.7026755261424409
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@](C)(CC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.10837459564209,
        "relative_population": 0.297324473857559
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC[C@](C)(CC(=O)[O-])C(=O)[O-]",
        "std_free_energy": -9.9380521774292,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.51000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]