[
  {
    "molid": "mol12368",
    "smiles": "CN[C@H]1C(C)[C@@H]1NC",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN[C@H]1C(C)[C@@H]1[NH2+]C",
        "std_free_energy": -8.326440811157227,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+][C@H]1C(C)[C@@H]1[NH2+]C",
        "std_free_energy": -4.967182636260986,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.68,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]