[
  {
    "molid": "mol15806",
    "smiles": "CC1NCCc2c1[nH]c1ccc(Cl)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1NCCc2c1[nH]c1ccc(Cl)cc21",
        "std_free_energy": -5.437358856201172,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1NCCc2c1[n-]c1ccc(Cl)cc21",
        "std_free_energy": 15.004415512084961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 15.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 15.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]