[
  {
    "molid": "mol2940",
    "smiles": "Clc1ccc(OCc2nn[nH]n2)c(C2CCCCC2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(OCc2nn[nH]n2)c(C2CCCCC2)c1",
        "std_free_energy": -4.357512474060059,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1ccc(OCc2nn[n-]n2)c(C2CCCCC2)c1",
        "std_free_energy": -7.0678935050964355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]