[
  {
    "molid": "mol374",
    "smiles": "O=C(CN1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CN1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1",
        "std_free_energy": -5.1584906578063965,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1",
        "std_free_energy": -7.188597202301025,
        "relative_population": 0.9797696989993174
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CN1CCCCC1)[N-]c1nc(-c2ccc(Cl)cc2)cs1",
        "std_free_energy": -0.6887651681900024,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]