[
  {
    "molid": "mol13986",
    "smiles": "O=c1c2[nH]cnc2ncn1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=c1c2[nH]cnc2ncn1O",
        "std_free_energy": -4.791602611541748,
        "relative_population": 0.9997763088477993
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1c2[nH]cnc2ncn1[O-]",
        "std_free_energy": -7.407933235168457,
        "relative_population": 0.9761102805297813
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1c2[n-]cnc2ncn1[O-]",
        "std_free_energy": 1.5747995376586914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.6599998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]