[
  {
    "molid": "mol14998",
    "smiles": "O=C(O)c1c2cccc1COCCOCc1ncc([nH]1)COCCOC2",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])c1c2cccc1COCCOCc1[nH]c(c[nH+]1)COCCOC2",
        "std_free_energy": -10.182847023010254,
        "relative_population": 0.9995050885721575
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1c2cccc1COCCOCc1ncc([nH]1)COCCOC2",
        "std_free_energy": -8.644430160522461,
        "relative_population": 0.9999998787205147
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.0500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]