[
  {
    "molid": "mol13630",
    "smiles": "OC(O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC(O)c1ccncc1",
        "std_free_energy": -6.477224349975586,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C([O-])c1cc[nH+]cc1",
        "std_free_energy": 7.523018836975098,
        "relative_population": 0.3883663178895578
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C(O)c1ccncc1",
        "std_free_energy": 7.06883430480957,
        "relative_population": 0.6116336821104421
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]