{
  "NR-AR": [
    {
      "name": "TESTOSTERONE ENANTHATE",
      "smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1200335",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NANDROLONE PHENPROPIONATE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1",
      "chembl_id": "CHEMBL1200412",
      "targets": "Androgen Receptor"
    },
    {
      "name": "OXYMETHOLONE",
      "smiles": "C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1200585",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ETHYLESTRENOL",
      "smiles": "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1200623",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NANDROLONE DECANOATE",
      "smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1200946",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ENOBOSARM",
      "smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL1738889",
      "targets": "Androgen Receptor"
    },
    {
      "name": "PRUXELUTAMIDE",
      "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1",
      "chembl_id": "CHEMBL4594417",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE PROPIONATE",
      "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1170",
      "targets": "Androgen Receptor"
    },
    {
      "name": "FLUOXYMESTERONE",
      "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C",
      "chembl_id": "CHEMBL1445",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ENZALUTAMIDE",
      "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F",
      "chembl_id": "CHEMBL1082407",
      "targets": "Androgen Receptor"
    },
    {
      "name": "STANOZOLOL",
      "smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL2079587",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE UNDECANOATE",
      "smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL2107067",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DAROLUTAMIDE",
      "smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1",
      "chembl_id": "CHEMBL4297185",
      "targets": "Androgen Receptor"
    },
    {
      "name": "BICALUTAMIDE",
      "smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL409",
      "targets": "Androgen Receptor"
    },
    {
      "name": "FLUTAMIDE",
      "smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL806",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NILUTAMIDE",
      "smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O",
      "chembl_id": "CHEMBL1274",
      "targets": "Androgen Receptor"
    },
    {
      "name": "METHYLTESTOSTERONE",
      "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1395",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL386630",
      "targets": "Androgen Receptor"
    },
    {
      "name": "OXANDROLONE",
      "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1200436",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DROMOSTANOLONE PROPIONATE",
      "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1201048",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE CYPIONATE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1",
      "chembl_id": "CHEMBL1201101",
      "targets": "Androgen Receptor"
    },
    {
      "name": "METHANDROSTENOLONE",
      "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1418176",
      "targets": "Androgen Receptor"
    },
    {
      "name": "APALUTAMIDE",
      "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F",
      "chembl_id": "CHEMBL3183409",
      "targets": "Androgen Receptor"
    },
    {
      "name": "CLASCOTERONE",
      "smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL3590187",
      "targets": "Androgen Receptor"
    },
    {
      "name": "SHR3680",
      "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1",
      "chembl_id": "CHEMBL4650276",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DANAZOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1479",
      "targets": "Androgen Receptor,Progesterone receptor"
    },
    {
      "name": "CYPROTERONE ACETATE",
      "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL139835",
      "targets": "Androgen Receptor,Glucocorticoid receptor,Progesterone receptor"
    },
    {
      "name": "GALETERONE",
      "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12",
      "chembl_id": "CHEMBL2105738",
      "targets": "Androgen Receptor,Cytochrome P450 17A1"
    }
  ],
  "NR-AR-LBD": [
    {
      "name": "TESTOSTERONE ENANTHATE",
      "smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1200335",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NANDROLONE PHENPROPIONATE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1",
      "chembl_id": "CHEMBL1200412",
      "targets": "Androgen Receptor"
    },
    {
      "name": "OXYMETHOLONE",
      "smiles": "C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1200585",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ETHYLESTRENOL",
      "smiles": "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1200623",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NANDROLONE DECANOATE",
      "smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1200946",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ENOBOSARM",
      "smiles": "C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL1738889",
      "targets": "Androgen Receptor"
    },
    {
      "name": "PRUXELUTAMIDE",
      "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1",
      "chembl_id": "CHEMBL4594417",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE PROPIONATE",
      "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1170",
      "targets": "Androgen Receptor"
    },
    {
      "name": "FLUOXYMESTERONE",
      "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C",
      "chembl_id": "CHEMBL1445",
      "targets": "Androgen Receptor"
    },
    {
      "name": "ENZALUTAMIDE",
      "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F",
      "chembl_id": "CHEMBL1082407",
      "targets": "Androgen Receptor"
    },
    {
      "name": "STANOZOLOL",
      "smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL2079587",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE UNDECANOATE",
      "smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL2107067",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DAROLUTAMIDE",
      "smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1",
      "chembl_id": "CHEMBL4297185",
      "targets": "Androgen Receptor"
    },
    {
      "name": "BICALUTAMIDE",
      "smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL409",
      "targets": "Androgen Receptor"
    },
    {
      "name": "FLUTAMIDE",
      "smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1",
      "chembl_id": "CHEMBL806",
      "targets": "Androgen Receptor"
    },
    {
      "name": "NILUTAMIDE",
      "smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O",
      "chembl_id": "CHEMBL1274",
      "targets": "Androgen Receptor"
    },
    {
      "name": "METHYLTESTOSTERONE",
      "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1395",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL386630",
      "targets": "Androgen Receptor"
    },
    {
      "name": "OXANDROLONE",
      "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1200436",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DROMOSTANOLONE PROPIONATE",
      "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1201048",
      "targets": "Androgen Receptor"
    },
    {
      "name": "TESTOSTERONE CYPIONATE",
      "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1",
      "chembl_id": "CHEMBL1201101",
      "targets": "Androgen Receptor"
    },
    {
      "name": "METHANDROSTENOLONE",
      "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O",
      "chembl_id": "CHEMBL1418176",
      "targets": "Androgen Receptor"
    },
    {
      "name": "APALUTAMIDE",
      "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F",
      "chembl_id": "CHEMBL3183409",
      "targets": "Androgen Receptor"
    },
    {
      "name": "CLASCOTERONE",
      "smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL3590187",
      "targets": "Androgen Receptor"
    },
    {
      "name": "SHR3680",
      "smiles": "CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1",
      "chembl_id": "CHEMBL4650276",
      "targets": "Androgen Receptor"
    },
    {
      "name": "DANAZOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1479",
      "targets": "Androgen Receptor,Progesterone receptor"
    },
    {
      "name": "CYPROTERONE ACETATE",
      "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL139835",
      "targets": "Androgen Receptor,Glucocorticoid receptor,Progesterone receptor"
    },
    {
      "name": "GALETERONE",
      "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12",
      "chembl_id": "CHEMBL2105738",
      "targets": "Androgen Receptor,Cytochrome P450 17A1"
    }
  ],
  "NR-ER": [
    {
      "name": "ACOLBIFENE",
      "smiles": "CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21",
      "chembl_id": "CHEMBL68055",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ARZOXIFENE",
      "smiles": "COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1",
      "chembl_id": "CHEMBL226267",
      "targets": "Estrogen receptor"
    },
    {
      "name": "TOREMIFENE CITRATE",
      "smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL1200675",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ESTETROL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O",
      "chembl_id": "CHEMBL1230314",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DROLOXIFENE",
      "smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1",
      "chembl_id": "CHEMBL487",
      "targets": "Estrogen receptor"
    },
    {
      "name": "LASOFOXIFENE",
      "smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1",
      "chembl_id": "CHEMBL328190",
      "targets": "Estrogen receptor"
    },
    {
      "name": "CYCLOFENIL",
      "smiles": "CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1",
      "chembl_id": "CHEMBL141305",
      "targets": "Estrogen receptor"
    },
    {
      "name": "FULVESTRANT",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL1358",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ESTRIOL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O",
      "chembl_id": "CHEMBL193482",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DIETHYLSTILBESTROL DIPHOSPHATE",
      "smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1",
      "chembl_id": "CHEMBL1200598",
      "targets": "Estrogen receptor"
    },
    {
      "name": "OSPEMIFENE",
      "smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1",
      "chembl_id": "CHEMBL2105395",
      "targets": "Estrogen receptor"
    },
    {
      "name": "AFIMOXIFENE",
      "smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1",
      "chembl_id": "CHEMBL489",
      "targets": "Estrogen receptor,Estrogen-related receptor gamma"
    },
    {
      "name": "QUINESTROL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1201165",
      "targets": "Estrogen receptor"
    },
    {
      "name": "BAZEDOXIFENE ACETATE",
      "smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12",
      "chembl_id": "CHEMBL2106615",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DIETHYLSTILBESTROL",
      "smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1",
      "chembl_id": "CHEMBL411",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ETHINYL ESTRADIOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL691",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "TAMOXIFEN CITRATE",
      "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL786",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "DIENESTROL",
      "smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1",
      "chembl_id": "CHEMBL1018",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "AMCENESTRANT",
      "smiles": "O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1",
      "chembl_id": "CHEMBL4475463",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL135",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ENCLOMIPHENE",
      "smiles": "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1",
      "chembl_id": "CHEMBL954",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ELACESTRANT HYDROCHLORIDE",
      "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1.Cl.Cl",
      "chembl_id": "CHEMBL4594273",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ALLYLESTRENOL",
      "smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL2105618",
      "targets": "Estrogen receptor,Progesterone receptor"
    },
    {
      "name": "RALOXIFENE HYDROCHLORIDE",
      "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12",
      "chembl_id": "CHEMBL1116",
      "targets": "Estrogen receptor beta"
    },
    {
      "name": "ESTRONE",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O",
      "chembl_id": "CHEMBL1405",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL VALERATE",
      "smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1511",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL ACETATE",
      "smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12",
      "chembl_id": "CHEMBL1200430",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CHLOROTRIANISENE",
      "smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1",
      "chembl_id": "CHEMBL1200761",
      "targets": "Estrogen receptor beta"
    },
    {
      "name": "ESTRADIOL CYPIONATE",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1",
      "chembl_id": "CHEMBL1200973",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTROPIPATE",
      "smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O",
      "chembl_id": "CHEMBL1200980",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "MESTRANOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1201151",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CLOMIPHENE CITRATE",
      "smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL3185958",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ELACESTRANT",
      "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1",
      "chembl_id": "CHEMBL4297509",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "GIREDESTRANT",
      "smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO",
      "chembl_id": "CHEMBL4650316",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CAMIZESTRANT",
      "smiles": "C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F",
      "chembl_id": "CHEMBL4650365",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRAMUSTINE PHOSPHATE SODIUM",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]",
      "chembl_id": "CHEMBL1200721",
      "targets": "DNA,Estrogen receptor beta"
    }
  ],
  "NR-ER-LBD": [
    {
      "name": "ACOLBIFENE",
      "smiles": "CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21",
      "chembl_id": "CHEMBL68055",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ARZOXIFENE",
      "smiles": "COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1",
      "chembl_id": "CHEMBL226267",
      "targets": "Estrogen receptor"
    },
    {
      "name": "TOREMIFENE CITRATE",
      "smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL1200675",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ESTETROL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O",
      "chembl_id": "CHEMBL1230314",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DROLOXIFENE",
      "smiles": "CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1",
      "chembl_id": "CHEMBL487",
      "targets": "Estrogen receptor"
    },
    {
      "name": "LASOFOXIFENE",
      "smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1",
      "chembl_id": "CHEMBL328190",
      "targets": "Estrogen receptor"
    },
    {
      "name": "CYCLOFENIL",
      "smiles": "CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1",
      "chembl_id": "CHEMBL141305",
      "targets": "Estrogen receptor"
    },
    {
      "name": "FULVESTRANT",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL1358",
      "targets": "Estrogen receptor"
    },
    {
      "name": "ESTRIOL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O",
      "chembl_id": "CHEMBL193482",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DIETHYLSTILBESTROL DIPHOSPHATE",
      "smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1",
      "chembl_id": "CHEMBL1200598",
      "targets": "Estrogen receptor"
    },
    {
      "name": "OSPEMIFENE",
      "smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1",
      "chembl_id": "CHEMBL2105395",
      "targets": "Estrogen receptor"
    },
    {
      "name": "AFIMOXIFENE",
      "smiles": "CC/C(=C(\\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1",
      "chembl_id": "CHEMBL489",
      "targets": "Estrogen receptor,Estrogen-related receptor gamma"
    },
    {
      "name": "QUINESTROL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1201165",
      "targets": "Estrogen receptor"
    },
    {
      "name": "BAZEDOXIFENE ACETATE",
      "smiles": "CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12",
      "chembl_id": "CHEMBL2106615",
      "targets": "Estrogen receptor"
    },
    {
      "name": "DIETHYLSTILBESTROL",
      "smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1",
      "chembl_id": "CHEMBL411",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ETHINYL ESTRADIOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL691",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "TAMOXIFEN CITRATE",
      "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL786",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "DIENESTROL",
      "smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1",
      "chembl_id": "CHEMBL1018",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "AMCENESTRANT",
      "smiles": "O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1",
      "chembl_id": "CHEMBL4475463",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O",
      "chembl_id": "CHEMBL135",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ENCLOMIPHENE",
      "smiles": "CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1",
      "chembl_id": "CHEMBL954",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ELACESTRANT HYDROCHLORIDE",
      "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1.Cl.Cl",
      "chembl_id": "CHEMBL4594273",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ALLYLESTRENOL",
      "smiles": "C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL2105618",
      "targets": "Estrogen receptor,Progesterone receptor"
    },
    {
      "name": "RALOXIFENE HYDROCHLORIDE",
      "smiles": "Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12",
      "chembl_id": "CHEMBL1116",
      "targets": "Estrogen receptor beta"
    },
    {
      "name": "ESTRONE",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O",
      "chembl_id": "CHEMBL1405",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL VALERATE",
      "smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C",
      "chembl_id": "CHEMBL1511",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRADIOL ACETATE",
      "smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12",
      "chembl_id": "CHEMBL1200430",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CHLOROTRIANISENE",
      "smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1",
      "chembl_id": "CHEMBL1200761",
      "targets": "Estrogen receptor beta"
    },
    {
      "name": "ESTRADIOL CYPIONATE",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1",
      "chembl_id": "CHEMBL1200973",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTROPIPATE",
      "smiles": "C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O",
      "chembl_id": "CHEMBL1200980",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "MESTRANOL",
      "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C",
      "chembl_id": "CHEMBL1201151",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CLOMIPHENE CITRATE",
      "smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL3185958",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ELACESTRANT",
      "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1",
      "chembl_id": "CHEMBL4297509",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "GIREDESTRANT",
      "smiles": "C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO",
      "chembl_id": "CHEMBL4650316",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "CAMIZESTRANT",
      "smiles": "C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F",
      "chembl_id": "CHEMBL4650365",
      "targets": "Estrogen receptor alpha"
    },
    {
      "name": "ESTRAMUSTINE PHOSPHATE SODIUM",
      "smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]",
      "chembl_id": "CHEMBL1200721",
      "targets": "DNA,Estrogen receptor beta"
    }
  ],
  "NR-AhR": [
    {
      "name": "TAPINAROF",
      "smiles": "CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O",
      "chembl_id": "CHEMBL259571",
      "targets": "Aryl hydrocarbon receptor"
    }
  ],
  "NR-PPAR-gamma": [
    {
      "name": "SEMAGACESTAT",
      "smiles": "CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21",
      "chembl_id": "CHEMBL520733",
      "targets": "Gamma-secretase"
    },
    {
      "name": "TARENFLURBIL",
      "smiles": "C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1",
      "chembl_id": "CHEMBL190083",
      "targets": "Gamma-secretase"
    },
    {
      "name": "NIROGACESTAT",
      "smiles": "CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1",
      "chembl_id": "CHEMBL1770916",
      "targets": "Gamma-secretase"
    },
    {
      "name": "PALOVAROTENE",
      "smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21",
      "chembl_id": "CHEMBL2105648",
      "targets": "Retinoic acid receptor gamma"
    },
    {
      "name": "TROGLITAZONE",
      "smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2",
      "chembl_id": "CHEMBL408",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "PIOGLITAZONE HYDROCHLORIDE",
      "smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl",
      "chembl_id": "CHEMBL1715",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "RIVOGLITAZONE",
      "smiles": "COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1",
      "chembl_id": "CHEMBL2104753",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "TRIFAROTENE",
      "smiles": "CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1",
      "chembl_id": "CHEMBL3707313",
      "targets": "Retinoic acid receptor gamma"
    },
    {
      "name": "BEZAFIBRATE",
      "smiles": "CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O",
      "chembl_id": "CHEMBL264374",
      "targets": "Peroxisome proliferator-activated receptor"
    },
    {
      "name": "MURAGLITAZAR",
      "smiles": "COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1",
      "chembl_id": "CHEMBL186179",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "LANIFIBRANOR",
      "smiles": "O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1",
      "chembl_id": "CHEMBL4091374",
      "targets": "Peroxisome proliferator-activated receptor"
    },
    {
      "name": "CHIGLITAZAR",
      "smiles": "O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O",
      "chembl_id": "CHEMBL4650349",
      "targets": "Peroxisome proliferator-activated receptor"
    },
    {
      "name": "ALEGLITAZAR",
      "smiles": "CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O",
      "chembl_id": "CHEMBL519504",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "IMIGLITAZAR",
      "smiles": "Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\\CCC(=O)O)c2ccccc2)cc1",
      "chembl_id": "CHEMBL592054",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "ELAFIBRANOR",
      "smiles": "CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1",
      "chembl_id": "CHEMBL3707395",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor delta"
    },
    {
      "name": "MK-0767",
      "smiles": "COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1",
      "chembl_id": "CHEMBL4297404",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "FENOFIBRIC ACID",
      "smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O",
      "chembl_id": "CHEMBL981",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "PEMAFIBRATE",
      "smiles": "CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O",
      "chembl_id": "CHEMBL247951",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "TESAGLITAZAR",
      "smiles": "CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O",
      "chembl_id": "CHEMBL282686",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "SAROGLITAZAR",
      "smiles": "CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O",
      "chembl_id": "CHEMBL4297530",
      "targets": "Peroxisome proliferator-activated receptor alpha,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "CIPROFIBRATE",
      "smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O",
      "chembl_id": "CHEMBL557555",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "FONADELPAR",
      "smiles": "Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O",
      "chembl_id": "CHEMBL3545186",
      "targets": "Peroxisome proliferator-activated receptor delta"
    },
    {
      "name": "GEMFIBROZIL",
      "smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1",
      "chembl_id": "CHEMBL457",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "CLOFIBRATE",
      "smiles": "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1",
      "chembl_id": "CHEMBL565",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "FENOFIBRATE",
      "smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1",
      "chembl_id": "CHEMBL672",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "ROSIGLITAZONE MALEATE",
      "smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\\C(=O)O",
      "chembl_id": "CHEMBL843",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "LERIGLITAZONE",
      "smiles": "CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1",
      "chembl_id": "CHEMBL1267",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "SELADELPAR",
      "smiles": "CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1",
      "chembl_id": "CHEMBL230158",
      "targets": "Peroxisome proliferator-activated receptor delta"
    },
    {
      "name": "CHOLINE FENOFIBRATE",
      "smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO",
      "chembl_id": "CHEMBL1201745",
      "targets": "Peroxisome proliferator-activated receptor alpha"
    },
    {
      "name": "BALAGLITAZONE",
      "smiles": "Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O",
      "chembl_id": "CHEMBL2103991",
      "targets": "Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "BALSALAZIDE DISODIUM",
      "smiles": "O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+]",
      "chembl_id": "CHEMBL1200760",
      "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "MESALAMINE",
      "smiles": "Nc1ccc(O)c(C(=O)O)c1",
      "chembl_id": "CHEMBL704",
      "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "OLSALAZINE SODIUM",
      "smiles": "O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+]",
      "chembl_id": "CHEMBL1201013",
      "targets": "Arachidonate 5-lipoxygenase,Cyclooxygenase,Peroxisome proliferator-activated receptor gamma"
    },
    {
      "name": "BARDOXOLONE METHYL",
      "smiles": "COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2",
      "chembl_id": "CHEMBL1762621",
      "targets": "Inhibitor of nuclear factor kappa B kinase beta subunit,Keap1/Nrf2,Peroxisome proliferator-activated receptor gamma"
    }
  ],
  "SR-p53": [
    {
      "name": "EPRENETAPOPT",
      "smiles": "COCC1(CO)C(=O)C2CCN1CC2",
      "chembl_id": "CHEMBL3186011",
      "targets": "Cellular tumor antigen p53"
    },
    {
      "name": "IDASANUTLIN",
      "smiles": "COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F",
      "chembl_id": "CHEMBL2402737",
      "targets": "Tumour suppressor p53/oncoprotein Mdm2"
    }
  ],
  "SR-MMP": [
    {
      "name": "TOPOTECAN HYDROCHLORIDE",
      "smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl",
      "chembl_id": "CHEMBL1607",
      "targets": "DNA topoisomerase I, mitochondrial"
    },
    {
      "name": "CARGLUMIC ACID",
      "smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O",
      "chembl_id": "CHEMBL1201780",
      "targets": "Carbamoyl-phosphate synthase [ammonia], mitochondrial"
    },
    {
      "name": "ENASIDENIB MESYLATE",
      "smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O",
      "chembl_id": "CHEMBL3989931",
      "targets": "Isocitrate dehydrogenase [NADP], mitochondrial"
    },
    {
      "name": "OLOROFIM",
      "smiles": "Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C",
      "chembl_id": "CHEMBL4297609",
      "targets": "Dihydroorotate dehydrogenase (quinone), mitochondrial"
    },
    {
      "name": "METFORMIN HYDROCHLORIDE",
      "smiles": "CN(C)C(=N)NC(=N)N.Cl",
      "chembl_id": "CHEMBL1703",
      "targets": "Mitochondrial complex I (NADH dehydrogenase),Mitochondrial glycerol-3-phosphate dehydrogenase"
    }
  ],
  "SR-HSE": [
    {
      "name": "RETASPIMYCIN HYDROCHLORIDE",
      "smiles": "C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)N2.Cl",
      "chembl_id": "CHEMBL377559",
      "targets": "Heat shock protein HSP90"
    },
    {
      "name": "TANESPIMYCIN",
      "smiles": "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\\C=C(/C)C(=O)NC(=CC1=O)C2=O",
      "chembl_id": "CHEMBL109480",
      "targets": "Heat shock protein HSP90"
    },
    {
      "name": "GANETESPIB",
      "smiles": "CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O",
      "chembl_id": "CHEMBL2103879",
      "targets": "Heat shock protein HSP90"
    },
    {
      "name": "FORIGERIMOD ACETATE",
      "smiles": "CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
      "chembl_id": "CHEMBL3989801",
      "targets": "Heat shock cognate 71 kDa protein"
    },
    {
      "name": "PLECANATIDE",
      "smiles": "CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O",
      "chembl_id": "CHEMBL2103867",
      "targets": "Heat-stable enterotoxin receptor"
    },
    {
      "name": "LINACLOTIDE",
      "smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2",
      "chembl_id": "CHEMBL3301675",
      "targets": "Heat-stable enterotoxin receptor"
    }
  ],
  "SR-ATAD5": [
    {
      "name": "PENTAMIDINE ISETHIONATE",
      "smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO",
      "chembl_id": "CHEMBL361506",
      "targets": "DNA,Kinetoplast DNA"
    },
    {
      "name": "DACARBAZINE",
      "smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O",
      "chembl_id": "CHEMBL476",
      "targets": "DNA"
    },
    {
      "name": "LOMUSTINE",
      "smiles": "O=NN(CCCl)C(=O)NC1CCCCC1",
      "chembl_id": "CHEMBL514",
      "targets": "DNA"
    },
    {
      "name": "NITROFURANTOIN",
      "smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1",
      "chembl_id": "CHEMBL572",
      "targets": "DNA"
    },
    {
      "name": "IDOXURIDINE",
      "smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I",
      "chembl_id": "CHEMBL788",
      "targets": "DNA"
    },
    {
      "name": "BUSULFAN",
      "smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O",
      "chembl_id": "CHEMBL820",
      "targets": "DNA"
    },
    {
      "name": "PALIFOSFAMIDE",
      "smiles": "O=P(O)(NCCCl)NCCCl",
      "chembl_id": "CHEMBL889",
      "targets": "DNA"
    },
    {
      "name": "TIRAPAZAMINE",
      "smiles": "Nc1n[n+]([O-])c2ccccc2[n+]1[O-]",
      "chembl_id": "CHEMBL50882",
      "targets": "DNA"
    },
    {
      "name": "IFOSFAMIDE",
      "smiles": "O=P1(NCCCl)OCCCN1CCCl",
      "chembl_id": "CHEMBL1024",
      "targets": "DNA"
    },
    {
      "name": "FURAZOLIDONE",
      "smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1",
      "chembl_id": "CHEMBL1103",
      "targets": "DNA"
    },
    {
      "name": "CLOFAZIMINE",
      "smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1",
      "chembl_id": "CHEMBL1292",
      "targets": "DNA"
    },
    {
      "name": "ALTRETAMINE",
      "smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1",
      "chembl_id": "CHEMBL1455",
      "targets": "DNA"
    },
    {
      "name": "TRIOXSALEN",
      "smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1",
      "chembl_id": "CHEMBL1475",
      "targets": "DNA"
    },
    {
      "name": "URACIL MUSTARD",
      "smiles": "Oc1ncc(N(CCCl)CCCl)c(O)n1",
      "chembl_id": "CHEMBL1488",
      "targets": "DNA"
    },
    {
      "name": "DACTINOMYCIN",
      "smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O",
      "chembl_id": "CHEMBL1554",
      "targets": "DNA"
    },
    {
      "name": "CLADRIBINE",
      "smiles": "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1",
      "chembl_id": "CHEMBL1619",
      "targets": "DNA"
    },
    {
      "name": "FOTEMUSTINE",
      "smiles": "CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O",
      "chembl_id": "CHEMBL549386",
      "targets": "DNA"
    },
    {
      "name": "CHLOROXINE",
      "smiles": "Oc1c(Cl)cc(Cl)c2cccnc12",
      "chembl_id": "CHEMBL1200596",
      "targets": "DNA"
    },
    {
      "name": "METRONIDAZOLE HYDROCHLORIDE",
      "smiles": "Cc1ncc([N+](=O)[O-])n1CCO.Cl",
      "chembl_id": "CHEMBL1200869",
      "targets": "DNA"
    },
    {
      "name": "METHYL AMINOLEVULINATE HYDROCHLORIDE",
      "smiles": "COC(=O)CCC(=O)CN.Cl",
      "chembl_id": "CHEMBL1201093",
      "targets": "DNA"
    },
    {
      "name": "NELARABINE",
      "smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O",
      "chembl_id": "CHEMBL1201112",
      "targets": "DNA"
    },
    {
      "name": "PIXANTRONE DIMALEATE",
      "smiles": "NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\\C(=O)O.O=C(O)/C=C\\C(=O)O",
      "chembl_id": "CHEMBL2103844",
      "targets": "DNA"
    },
    {
      "name": "SAPACITABINE",
      "smiles": "CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1",
      "chembl_id": "CHEMBL2105681",
      "targets": "DNA"
    },
    {
      "name": "MELPHALAN FLUFENAMIDE HYDROCHLORIDE",
      "smiles": "CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1.Cl",
      "chembl_id": "CHEMBL4297403",
      "targets": "DNA"
    },
    {
      "name": "VOSAROXIN",
      "smiles": "CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC",
      "chembl_id": "CHEMBL68117",
      "targets": "DNA,DNA topoisomerase II"
    }
  ]
}