[
  {
    "molid": "mol1130",
    "smiles": "[H]/N=C(\\c1ccccc1)c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(c1ccccc1)c1cccc(Cl)c1",
        "std_free_energy": -4.444891452789307,
        "relative_population": 0.5260266648667618
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1cccc(Cl)c1",
        "std_free_energy": -4.340690612792969,
        "relative_population": 0.47397333513323825
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH2+]=C(c1ccccc1)c1cccc(Cl)c1",
        "std_free_energy": -3.093311309814453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]