[
  {
    "molid": "mol1148",
    "smiles": "[H]/N=C(\\c1ccccc1)c1ccc(OC)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(C(=N)c2ccccc2)c(OC)c1",
        "std_free_energy": -2.4819793701171875,
        "relative_population": 0.5083807009691554
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1ccc(OC)cc1OC",
        "std_free_energy": -2.448453426361084,
        "relative_population": 0.4916192990308445
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(C(=[NH2+])c2ccccc2)c(OC)c1",
        "std_free_energy": -6.599323749542236,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]