[
  {
    "molid": "mol30279",
    "smiles": "Cc1ccccc1COCC1CN=C(N)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1COC[C@H]1CN=C(N)O1",
        "std_free_energy": -3.319601058959961,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1COC[C@H]1C[NH+]=C(N)O1",
        "std_free_energy": -7.221650123596191,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]