[
  {
    "molid": "mol32346",
    "smiles": "CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1C[C@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1",
        "std_free_energy": -6.932220935821533,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1C[C-]([C@@H](O)CC2CC(=O)NC(=O)C2)C(=O)[C@@H](C)C1",
        "std_free_energy": 6.0562543869018555,
        "relative_population": 0.1482757496350564
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C@H]1C[C@H](C)C(=O)[C@@H]([C@@H](O)CC2CC(=O)[N-]C(=O)C2)C1",
        "std_free_energy": 4.544203758239746,
        "relative_population": 0.6725822051062925
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "C[C-]1C[C@H](C)C[C@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1=O",
        "std_free_energy": 6.074484348297119,
        "relative_population": 0.14559717775507713
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]