[
  {
    "molid": "mol15120",
    "smiles": "CC(C)=CCC1C(=O)C(C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O",
        "std_free_energy": -3.6190268993377686,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)=CC[C-]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O",
        "std_free_energy": -3.002662420272827,
        "relative_population": 0.24347426262176422
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)=CC[C@@H]1C(=O)[C-](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O",
        "std_free_energy": -4.136131763458252,
        "relative_population": 0.7563321128831265
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.18,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.1799998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]