[
  {
    "molid": "mol13528",
    "smiles": "C1CN=C2NCCC2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CN=C2NCC[C@@H]2C1",
        "std_free_energy": 1.3624415397644043,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C1CN=C2[N-]CC[C@@H]2C1",
        "std_free_energy": 10.558686256408691,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]