[
  {
    "molid": "mol2734",
    "smiles": "CC1(C)CCC(=O)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CCC(=O)CC1=O",
        "std_free_energy": -4.1035895347595215,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)CCC(=O)[CH-]C1=O",
        "std_free_energy": -7.011029243469238,
        "relative_population": 0.9994501684697763
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]