[
  {
    "molid": "mol18102",
    "smiles": "CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1O",
        "std_free_energy": -6.611828804016113,
        "relative_population": 0.9999819704154993
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc([O-])c1O",
        "std_free_energy": -2.0316898822784424,
        "relative_population": 0.2756776100733075
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nccc(O)c1[O-]",
        "std_free_energy": -2.9976463317871094,
        "relative_population": 0.724287601425362
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]