[
  {
    "molid": "mol2094",
    "smiles": "[H]/N=C(\\c1ccccc1)c1ccccc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1ccccc1OC",
        "std_free_energy": -3.210339307785034,
        "relative_population": 0.5246651673526499
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccccc1C(=N)c1ccccc1",
        "std_free_energy": -3.111598491668701,
        "relative_population": 0.4753348326473502
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccccc1C(=[NH2+])c1ccccc1",
        "std_free_energy": -5.106879234313965,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]