[
  {
    "molid": "mol34681",
    "smiles": "CC(=O)C(=NNc1cccc(C)c1)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(=NNc1cccc(C)c1)C(C)=O",
        "std_free_energy": -6.676365375518799,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C(=N[N-]c1cccc(C)c1)C(C)=O",
        "std_free_energy": 1.0706063508987427,
        "relative_population": 0.23869955399587842
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(=NNc1cccc(C)c1)C(C)=O",
        "std_free_energy": -0.08921606838703156,
        "relative_population": 0.7613004460041216
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1400003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]