[
  {
    "molid": "mol31092",
    "smiles": "OC1=NCC=CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC1=NCC=CN1",
        "std_free_energy": -3.106095314025879,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C1=NCC=CN1",
        "std_free_energy": 5.452062606811523,
        "relative_population": 0.6712927723461485
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "OC1=NCC=C[N-]1",
        "std_free_energy": 6.16610050201416,
        "relative_population": 0.3287072276538516
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]