[
  {
    "molid": "mol12421",
    "smiles": "C=CC1CNC(=S)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C[C@@H]1CNC(=S)O1",
        "std_free_energy": -6.24343204498291,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C[C@@H]1C[N-]C(=S)O1",
        "std_free_energy": 2.668928861618042,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]