[
  {
    "molid": "mol26915",
    "smiles": "CC(=O)NC1C(=O)CC(C)(C)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)NC1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": -6.045620441436768,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)NC1C(=O)CC(C)(C)CC1=[OH+]",
        "std_free_energy": 6.426896572113037,
        "relative_population": 0.6540189062831079
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=[OH+])NC1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": 7.063648700714111,
        "relative_population": 0.3459810937168921
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]