[
  {
    "molid": "mol15817",
    "smiles": "CC1NCCc2c1[nH]c1ccc(N)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1NCCc2c1[nH]c1ccc(N)cc21",
        "std_free_energy": -6.222481727600098,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1NCCc2c1[n-]c1ccc(N)cc21",
        "std_free_energy": 16.030227661132812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 16.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]