[
  {
    "molid": "mol34544",
    "smiles": "C(CN(CCc1nnn[nH]1)CCc1nnn[nH]1)c1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(CN(CCc1nnn[nH]1)CCc1nnn[nH]1)c1nnn[nH]1",
        "std_free_energy": -4.718579292297363,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C(CN(CCc1nnn[nH]1)CCc1nnn[nH]1)c1nnn[n-]1",
        "std_free_energy": -6.957252502441406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]