[
  {
    "molid": "mol14635",
    "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccc3nccc(O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1O[C@H](Oc2ccc3[nH+]ccc(O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -2.381023406982422,
        "relative_population": 0.20820537119227053
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccc3nccc(O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -3.7147562503814697,
        "relative_population": 0.7901776530677576
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1O[C@H](Oc2ccc3nccc(O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -10.73652172088623,
        "relative_population": 0.9970352263991354
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]