[
  {
    "molid": "mol2715",
    "smiles": "CCc1cc(C)cc(CC)c1C1C(=O)CC2(CCOCC2)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cc(C)cc(CC)c1C1C(=O)CC2(CCOCC2)CC1=O",
        "std_free_energy": -4.8316650390625,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCc1cc(C)cc(CC)c1[C-]1C(=O)CC2(CCOCC2)CC1=O",
        "std_free_energy": -3.584789276123047,
        "relative_population": 0.999897470595072
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]