[
  {
    "molid": "mol15675",
    "smiles": "CC(C)CCC1C(=O)C(O)C(CCC(C)C)(CCC(C)C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CC[C@H]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O",
        "std_free_energy": -3.9158473014831543,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CC[C@H]1C(=O)[C@H]([O-])C(CCC(C)C)(CCC(C)C)C1=O",
        "std_free_energy": -2.099346876144409,
        "relative_population": 0.06355823898880042
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)CC[C-]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O",
        "std_free_energy": -4.3451714515686035,
        "relative_population": 0.6005111507328855
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)CC[C@H]1C(=O)[C-](O)C(CCC(C)C)(CCC(C)C)C1=O",
        "std_free_energy": -3.7642948627471924,
        "relative_population": 0.33593061027831417
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]