[
  {
    "molid": "mol36312",
    "smiles": "O=C(O)Cn1nnc(CCCn2nnc(-c3ccccc3)n2)n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(O)Cn1nnc(CCCn2nnc(-c3ccccc3)n2)n1",
        "std_free_energy": -2.530325412750244,
        "relative_population": 0.9836303755921458
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cn1nnc(CCCn2nnc(-c3ccccc3)n2)n1",
        "std_free_energy": -11.697287559509277,
        "relative_population": 0.999748860685959
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.08999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]