[
  {
    "molid": "mol15634",
    "smiles": "N#Cc1c(-c2nc3ccccc3o2)c(=O)oc2cc(O)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1c(-c2nc3ccccc3o2)c(=O)oc2cc(O)ccc12",
        "std_free_energy": -4.335741996765137,
        "relative_population": 0.9999998855549023
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1c(-c2nc3ccccc3o2)c(=O)oc2cc([O-])ccc12",
        "std_free_energy": -5.5941572189331055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.0700002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]