[
  {
    "molid": "mol19806",
    "smiles": "Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)CO[C@@H]2F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)CO[C@@H]2F)c1",
        "std_free_energy": -5.326121807098389,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)[NH+]=C(N)CO[C@@H]2F)c1",
        "std_free_energy": -7.00505256652832,
        "relative_population": 0.9112786438142138
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Cl)c[nH+]c1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)CO[C@@H]2F)c1",
        "std_free_energy": -4.675704479217529,
        "relative_population": 0.08872135618578621
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]