[
  {
    "molid": "mol14121",
    "smiles": "CCC1C(=O)C=C(C)OC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]1C(=O)C=C(C)OC1=O",
        "std_free_energy": -3.5429039001464844,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C1=CC(=O)[C@H](CC)C(=O)O1",
        "std_free_energy": -6.489965438842773,
        "relative_population": 0.7651442242759884
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[c-]1c(=O)cc(C)oc1=O",
        "std_free_energy": -5.308872699737549,
        "relative_population": 0.23485577572401156
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]