[
  {
    "molid": "mol1150",
    "smiles": "[H]/N=C(\\c1ccccc1)c1cc(C)ccc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1cc(C)ccc1C",
        "std_free_energy": -3.482285261154175,
        "relative_population": 0.4452636295759707
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(C)c(C(=N)c2ccccc2)c1",
        "std_free_energy": -3.7021117210388184,
        "relative_population": 0.5547363704240292
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(C)c(C(=[NH2+])c2ccccc2)c1",
        "std_free_energy": -4.616230010986328,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.79,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]