[
  {
    "molid": "mol14930",
    "smiles": "O=c1nc(O)c(Br)cn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1nc(O)c(Br)cn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -4.962679386138916,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=c1[nH+]c(O)c(Br)cn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 11.579687118530273,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]