[
  {
    "molid": "mol28001",
    "smiles": "N=C(N)NN=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NN=O",
        "std_free_energy": -5.116181373596191,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=[NH2+])NN=O",
        "std_free_energy": -1.4216066598892212,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[N-]=C(N)[N-]N=O",
        "std_free_energy": 7.185822486877441,
        "relative_population": 0.5417661150951355
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[N-]=C([NH-])NN=O",
        "std_free_energy": 7.500364303588867,
        "relative_population": 0.39555607892387185
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "N=C([NH-])[N-]N=O",
        "std_free_energy": 9.342649459838867,
        "relative_population": 0.06267780598099269
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[N-]=C(N)NN=O",
        "std_free_energy": -1.148392915725708,
        "relative_population": 0.7979390836806465
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C(N)[N-]N=O",
        "std_free_energy": 0.22701451182365417,
        "relative_population": 0.2016684133867043
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.1,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]