[
  {
    "molid": "mol36709",
    "smiles": "O=C(O)c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1ccc([C@H]2CC(c3ccccc3)=[NH+]N2c2ccccc2)cc1",
        "std_free_energy": -5.818021297454834,
        "relative_population": 0.8160974714519063
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1",
        "std_free_energy": -4.176819324493408,
        "relative_population": 0.15811645605651276
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1",
        "std_free_energy": -8.535282135009766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]