[
  {
    "molid": "mol33161",
    "smiles": "O=C(O)CCNCCNCCC(=O)O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH2+]CC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -13.721500396728516,
        "relative_population": 0.9848608600709038
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CCNCC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -13.003758430480957,
        "relative_population": 0.9998533813534107
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCNCCNCCC(=O)[O-]",
        "std_free_energy": -3.7636680603027344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.86999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]