[
  {
    "molid": "mol10192",
    "smiles": "C=CCc1c(O)[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CCc1c(O)[nH]c(=O)[nH]c1=O",
        "std_free_energy": -4.809619903564453,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CCc1c(O)[n-]c(=O)[nH]c1=O",
        "std_free_energy": -4.384400844573975,
        "relative_population": 0.29469724921594836
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=CCc1c([O-])[nH]c(=O)[nH]c1=O",
        "std_free_energy": -5.066136360168457,
        "relative_population": 0.5827067575886195
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C=CCc1c(O)[nH]c(=O)[n-]c1=O",
        "std_free_energy": -3.5073466300964355,
        "relative_population": 0.12259599319543227
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]