[
  {
    "molid": "mol27997",
    "smiles": "N=C(N)NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NN",
        "std_free_energy": -0.549752950668335,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NNC(N)=[NH2+]",
        "std_free_energy": -10.949868202209473,
        "relative_population": 0.9858007870214143
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "NC(=[NH2+])N[NH3+]",
        "std_free_energy": 3.4020261764526367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]