[
  {
    "molid": "mol17283",
    "smiles": "O=C1CCC(Cc2ccccc2)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(Cc2ccccc2)=C1O",
        "std_free_energy": -5.409517288208008,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[CH-]C(Cc2ccccc2)=C1O",
        "std_free_energy": -1.0402783155441284,
        "relative_population": 0.1774755990350462
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1CCC(Cc2ccccc2)=C1[O-]",
        "std_free_energy": -1.8802897930145264,
        "relative_population": 0.4111033351885056
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1CCC([CH-]c2ccccc2)=C1O",
        "std_free_energy": -1.8605096340179443,
        "relative_population": 0.40305154125997505
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]