[
  {
    "molid": "mol12609",
    "smiles": "CN(C)/C=N/c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)/C=[NH+]/c1ccccc1[O-]",
        "std_free_energy": -4.42763090133667,
        "relative_population": 0.36544694851909276
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)/C=N/c1ccccc1O",
        "std_free_energy": -4.979430675506592,
        "relative_population": 0.6345530514809072
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)/C=[NH+]/c1ccccc1O",
        "std_free_energy": -7.492629528045654,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)/C=N/c1ccccc1[O-]",
        "std_free_energy": 4.891016006469727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]