[
  {
    "molid": "mol15283",
    "smiles": "CCc1cc(Cl)n(C)c2nc3ccccc3c1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cc(Cl)n(C)c2nc3ccccc3c1-2",
        "std_free_energy": -4.391080856323242,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cc(Cl)n(C)c2[nH+]c3ccccc3c1-2",
        "std_free_energy": -6.9622931480407715,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]