[
  {
    "molid": "mol24468",
    "smiles": "NCN(CN)CN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCN(CN)CN",
        "std_free_energy": -1.476179599761963,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC[NH+](CN)CN",
        "std_free_energy": -7.450372695922852,
        "relative_population": 0.5497186369033444
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NCN(CN)C[NH3+]",
        "std_free_energy": -7.250838756561279,
        "relative_population": 0.4502813630966557
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "NCN(C[NH3+])C[NH3+]",
        "std_free_energy": -5.7530412673950195,
        "relative_population": 0.14765237336114112
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "NC[NH+](CN)C[NH3+]",
        "std_free_energy": -7.5061750411987305,
        "relative_population": 0.8523476266388589
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.56,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]