[
  {
    "molid": "mol34963",
    "smiles": "CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CO[C@@]2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12",
        "std_free_energy": -6.72298526763916,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CO[C@@]2(c3ccccc3Cl)c3cc(Cl)ccc3[N-]C(=O)CN12",
        "std_free_energy": 5.218315124511719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]