{
 "about": "For each query: the library rows left out as the same compound (ruling 2) and the ten nearest of the rest by Tanimoto under the policy; ties by library index.",
 "policy": "morgan-r2-2048-described-v1",
 "oracle": "pipeline/molecule-workbench/fingerprint_policy.py (Python RDKit; no TypeScript run)",
 "rdkit": "2026.03.6",
 "library": {
  "file": "public/data/molecule-workbench/approved-drugs.json",
  "release": "ChEMBL_37",
  "count": 2197
 },
 "licence": "CC BY-SA 3.0 (ChEMBL-derived names, ids and SMILES), https://creativecommons.org/licenses/by-sa/3.0/",
 "queries": [
  {
   "name": "imatinib (the default example, CHEMBL941's library SMILES)",
   "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1",
   "describedSmiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1",
   "describedInchiKey": "KTUFNOKKBVMGRW-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    14,
    74,
    80,
    184,
    191,
    207,
    257,
    310,
    378,
    437,
    458,
    486,
    491,
    541,
    555,
    650,
    658,
    736,
    784,
    787,
    807,
    843,
    875,
    926,
    935,
    980,
    1043,
    1057,
    1085,
    1088,
    1145,
    1152,
    1160,
    1224,
    1236,
    1380,
    1385,
    1391,
    1423,
    1452,
    1480,
    1535,
    1582,
    1586,
    1603,
    1665,
    1683,
    1691,
    1697,
    1722,
    1750,
    1754,
    1765,
    1771,
    1791,
    1795,
    1816,
    1819,
    1855,
    1866,
    1873,
    1917,
    1956,
    1978,
    2036
   ],
   "forms": [
    {
     "index": 480,
     "id": "CHEMBL941",
     "name": "IMATINIB",
     "shared": 65,
     "union": 65,
     "tanimoto": 1.0,
     "wholeMatch": true
    }
   ],
   "topTen": [
    {
     "index": 1130,
     "id": "CHEMBL255863",
     "name": "NILOTINIB",
     "shared": 46,
     "union": 89,
     "tanimoto": 0.5168539325842697
    },
    {
     "index": 1387,
     "id": "CHEMBL1171837",
     "name": "PONATINIB",
     "shared": 39,
     "union": 98,
     "tanimoto": 0.3979591836734694
    },
    {
     "index": 1360,
     "id": "CHEMBL1078178",
     "name": "MOMELOTINIB",
     "shared": 33,
     "union": 87,
     "tanimoto": 0.3793103448275862
    },
    {
     "index": 2045,
     "id": "CHEMBL3301607",
     "name": "FILGOTINIB",
     "shared": 26,
     "union": 92,
     "tanimoto": 0.2826086956521739
    },
    {
     "index": 718,
     "id": "CHEMBL1421",
     "name": "DASATINIB ANHYDROUS",
     "shared": 28,
     "union": 102,
     "tanimoto": 0.27450980392156865
    },
    {
     "index": 1022,
     "id": "CHEMBL91397",
     "name": "RUPATADINE",
     "shared": 25,
     "union": 94,
     "tanimoto": 0.26595744680851063
    },
    {
     "index": 2099,
     "id": "CHEMBL3833319",
     "name": "REVEFENACIN",
     "shared": 27,
     "union": 103,
     "tanimoto": 0.2621359223300971
    },
    {
     "index": 2055,
     "id": "CHEMBL3353410",
     "name": "OSIMERTINIB",
     "shared": 28,
     "union": 107,
     "tanimoto": 0.2616822429906542
    },
    {
     "index": 1721,
     "id": "CHEMBL1257015",
     "name": "PICOTAMIDE",
     "shared": 22,
     "union": 85,
     "tanimoto": 0.25882352941176473
    },
    {
     "index": 888,
     "id": "CHEMBL1755",
     "name": "CONIVAPTAN",
     "shared": 25,
     "union": 97,
     "tanimoto": 0.25773195876288657
    }
   ]
  },
  {
   "name": "erlotinib hydrochloride (PubChem CID 176871, the walk's compound, D-0024)",
   "smiles": "COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl",
   "describedSmiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1",
   "describedInchiKey": "AAKJLRGGTJKAMG-UHFFFAOYSA-N",
   "dropped": [
    "HCl"
   ],
   "onBits": [
    13,
    80,
    102,
    191,
    329,
    378,
    486,
    489,
    491,
    673,
    674,
    676,
    695,
    703,
    708,
    747,
    780,
    794,
    841,
    875,
    888,
    893,
    915,
    974,
    1005,
    1039,
    1057,
    1088,
    1097,
    1152,
    1157,
    1173,
    1226,
    1255,
    1357,
    1367,
    1380,
    1452,
    1518,
    1629,
    1648,
    1651,
    1734,
    1750,
    1810,
    1873,
    1970
   ],
   "forms": [
    {
     "index": 227,
     "id": "CHEMBL553",
     "name": "ERLOTINIB",
     "shared": 47,
     "union": 47,
     "tanimoto": 1.0,
     "wholeMatch": false
    }
   ],
   "topTen": [
    {
     "index": 478,
     "id": "CHEMBL939",
     "name": "GEFITINIB",
     "shared": 31,
     "union": 76,
     "tanimoto": 0.40789473684210525
    },
    {
     "index": 1965,
     "id": "CHEMBL2110732",
     "name": "DACOMITINIB ANHYDROUS",
     "shared": 27,
     "union": 87,
     "tanimoto": 0.3103448275862069
    },
    {
     "index": 228,
     "id": "CHEMBL554",
     "name": "LAPATINIB",
     "shared": 26,
     "union": 94,
     "tanimoto": 0.2765957446808511
    },
    {
     "index": 1174,
     "id": "CHEMBL288441",
     "name": "BOSUTINIB",
     "shared": 23,
     "union": 84,
     "tanimoto": 0.27380952380952384
    },
    {
     "index": 1389,
     "id": "CHEMBL1173655",
     "name": "AFATINIB",
     "shared": 26,
     "union": 95,
     "tanimoto": 0.2736842105263158
    },
    {
     "index": 2118,
     "id": "CHEMBL3989868",
     "name": "TUCATINIB",
     "shared": 23,
     "union": 88,
     "tanimoto": 0.26136363636363635
    },
    {
     "index": 2169,
     "id": "CHEMBL4303214",
     "name": "FRUQUINTINIB",
     "shared": 20,
     "union": 79,
     "tanimoto": 0.25316455696202533
    },
    {
     "index": 1727,
     "id": "CHEMBL1287853",
     "name": "FEDRATINIB",
     "shared": 20,
     "union": 90,
     "tanimoto": 0.2222222222222222
    },
    {
     "index": 800,
     "id": "CHEMBL1539",
     "name": "SULFADOXINE",
     "shared": 15,
     "union": 69,
     "tanimoto": 0.21739130434782608
    },
    {
     "index": 1061,
     "id": "CHEMBL180022",
     "name": "NERATINIB",
     "shared": 22,
     "union": 103,
     "tanimoto": 0.21359223300970873
    }
   ]
  },
  {
   "name": "benzylpenicillin",
   "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O",
   "describedSmiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O",
   "describedInchiKey": "JGSARLDLIJGVTE-MBNYWOFBSA-N",
   "dropped": null,
   "onBits": [
    5,
    18,
    41,
    80,
    130,
    233,
    314,
    325,
    362,
    387,
    389,
    650,
    673,
    675,
    697,
    730,
    753,
    807,
    913,
    926,
    935,
    1019,
    1057,
    1060,
    1066,
    1085,
    1088,
    1149,
    1150,
    1152,
    1199,
    1205,
    1274,
    1279,
    1380,
    1431,
    1635,
    1750,
    1754,
    1873,
    1917,
    1937,
    1943
   ],
   "forms": [
    {
     "index": 22,
     "id": "CHEMBL29",
     "name": "PENICILLIN G",
     "shared": 43,
     "union": 43,
     "tanimoto": 1.0,
     "wholeMatch": true
    },
    {
     "index": 1776,
     "id": "CHEMBL1628385",
     "name": "PROCAINE BENZYLPENICILLIN",
     "shared": 43,
     "union": 43,
     "tanimoto": 1.0,
     "wholeMatch": false
    }
   ],
   "topTen": [
    {
     "index": 274,
     "id": "CHEMBL615",
     "name": "PENICILLIN V",
     "shared": 37,
     "union": 52,
     "tanimoto": 0.7115384615384616
    },
    {
     "index": 104,
     "id": "CHEMBL174",
     "name": "AMPICILLIN",
     "shared": 34,
     "union": 54,
     "tanimoto": 0.6296296296296297
    },
    {
     "index": 624,
     "id": "CHEMBL1214",
     "name": "CARBENICILLIN",
     "shared": 34,
     "union": 54,
     "tanimoto": 0.6296296296296297
    },
    {
     "index": 244,
     "id": "CHEMBL575",
     "name": "METHICILLIN",
     "shared": 33,
     "union": 56,
     "tanimoto": 0.5892857142857143
    },
    {
     "index": 1411,
     "id": "CHEMBL1200356",
     "name": "CYCLACILLIN",
     "shared": 31,
     "union": 55,
     "tanimoto": 0.5636363636363636
    },
    {
     "index": 732,
     "id": "CHEMBL1443",
     "name": "NAFCILLIN",
     "shared": 35,
     "union": 63,
     "tanimoto": 0.5555555555555556
    },
    {
     "index": 555,
     "id": "CHEMBL1082",
     "name": "AMOXICILLIN",
     "shared": 32,
     "union": 58,
     "tanimoto": 0.5517241379310345
    },
    {
     "index": 406,
     "id": "CHEMBL819",
     "name": "OXACILLIN",
     "shared": 34,
     "union": 62,
     "tanimoto": 0.5483870967741935
    },
    {
     "index": 798,
     "id": "CHEMBL1537",
     "name": "AZLOCILLIN",
     "shared": 35,
     "union": 65,
     "tanimoto": 0.5384615384615384
    },
    {
     "index": 337,
     "id": "CHEMBL702",
     "name": "PIPERACILLIN",
     "shared": 36,
     "union": 67,
     "tanimoto": 0.5373134328358209
    }
   ]
  },
  {
   "name": "theophylline",
   "smiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O",
   "describedSmiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O",
   "describedInchiKey": "ZFXYFBGIUFBOJW-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    314,
    378,
    400,
    503,
    504,
    564,
    650,
    713,
    771,
    806,
    834,
    873,
    935,
    988,
    1024,
    1057,
    1058,
    1114,
    1145,
    1258,
    1380,
    1452,
    1457,
    1530,
    1696,
    1873
   ],
   "forms": [
    {
     "index": 1687,
     "id": "CHEMBL1208646",
     "name": "THEOPHYLLINE GLYCINATE",
     "shared": 26,
     "union": 26,
     "tanimoto": 1.0,
     "wholeMatch": false
    }
   ],
   "topTen": [
    {
     "index": 76,
     "id": "CHEMBL113",
     "name": "CAFFEINE",
     "shared": 16,
     "union": 35,
     "tanimoto": 0.45714285714285713
    },
    {
     "index": 1001,
     "id": "CHEMBL70246",
     "name": "ACEFYLLINE",
     "shared": 16,
     "union": 43,
     "tanimoto": 0.37209302325581395
    },
    {
     "index": 885,
     "id": "CHEMBL1752",
     "name": "DYPHYLLINE",
     "shared": 16,
     "union": 46,
     "tanimoto": 0.34782608695652173
    },
    {
     "index": 1772,
     "id": "CHEMBL1624126",
     "name": "XANTHINOL",
     "shared": 16,
     "union": 54,
     "tanimoto": 0.2962962962962963
    },
    {
     "index": 282,
     "id": "CHEMBL628",
     "name": "PENTOXIFYLLINE",
     "shared": 14,
     "union": 50,
     "tanimoto": 0.28
    },
    {
     "index": 721,
     "id": "CHEMBL1425",
     "name": "MERCAPTOPURINE ANHYDROUS",
     "shared": 10,
     "union": 38,
     "tanimoto": 0.2631578947368421
    },
    {
     "index": 744,
     "id": "CHEMBL1460",
     "name": "DIDANOSINE",
     "shared": 13,
     "union": 54,
     "tanimoto": 0.24074074074074073
    },
    {
     "index": 577,
     "id": "CHEMBL1110",
     "name": "ALOSETRON",
     "shared": 14,
     "union": 59,
     "tanimoto": 0.23728813559322035
    },
    {
     "index": 399,
     "id": "CHEMBL810",
     "name": "TEMOZOLOMIDE",
     "shared": 11,
     "union": 47,
     "tanimoto": 0.23404255319148937
    },
    {
     "index": 1572,
     "id": "CHEMBL1201198",
     "name": "PEMIROLAST",
     "shared": 12,
     "union": 53,
     "tanimoto": 0.22641509433962265
    }
   ]
  },
  {
   "name": "2-pyridone",
   "smiles": "O=c1cccc[nH]1",
   "describedSmiles": "O=c1cccc[nH]1",
   "describedInchiKey": "UBQKCCHYAOITMY-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    81,
    218,
    314,
    650,
    676,
    806,
    939,
    1088,
    1114,
    1199,
    1321,
    1380,
    1506,
    1563,
    1750,
    1873
   ],
   "forms": [],
   "topTen": [
    {
     "index": 254,
     "id": "CHEMBL590",
     "name": "MENADIONE",
     "shared": 8,
     "union": 29,
     "tanimoto": 0.27586206896551724
    },
    {
     "index": 10,
     "id": "CHEMBL16",
     "name": "PHENYTOIN",
     "shared": 8,
     "union": 30,
     "tanimoto": 0.26666666666666666
    },
    {
     "index": 172,
     "id": "CHEMBL468",
     "name": "THALIDOMIDE",
     "shared": 9,
     "union": 36,
     "tanimoto": 0.25
    },
    {
     "index": 346,
     "id": "CHEMBL711",
     "name": "PHENINDIONE",
     "shared": 7,
     "union": 28,
     "tanimoto": 0.25
    },
    {
     "index": 30,
     "id": "CHEMBL40",
     "name": "PHENOBARBITAL",
     "shared": 8,
     "union": 33,
     "tanimoto": 0.24242424242424243
    },
    {
     "index": 2098,
     "id": "CHEMBL3833301",
     "name": "BARBEXACLONE",
     "shared": 8,
     "union": 33,
     "tanimoto": 0.24242424242424243
    },
    {
     "index": 899,
     "id": "CHEMBL6466",
     "name": "COUMARIN",
     "shared": 7,
     "union": 29,
     "tanimoto": 0.2413793103448276
    },
    {
     "index": 686,
     "id": "CHEMBL1356",
     "name": "SODIUM BENZOATE",
     "shared": 6,
     "union": 26,
     "tanimoto": 0.23076923076923078
    },
    {
     "index": 432,
     "id": "CHEMBL856",
     "name": "PRIMIDONE",
     "shared": 8,
     "union": 35,
     "tanimoto": 0.22857142857142856
    },
    {
     "index": 917,
     "id": "CHEMBL14060",
     "name": "PHENOL",
     "shared": 5,
     "union": 22,
     "tanimoto": 0.22727272727272727
    }
   ]
  },
  {
   "name": "2-hydroxypyridine",
   "smiles": "Oc1ccccn1",
   "describedSmiles": "Oc1ccccn1",
   "describedInchiKey": "UBQKCCHYAOITMY-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    378,
    448,
    807,
    840,
    1088,
    1155,
    1195,
    1199,
    1380,
    1452,
    1495,
    1602,
    1750,
    1866,
    1873,
    1879
   ],
   "forms": [],
   "topTen": [
    {
     "index": 917,
     "id": "CHEMBL14060",
     "name": "PHENOL",
     "shared": 7,
     "union": 20,
     "tanimoto": 0.35
    },
    {
     "index": 946,
     "id": "CHEMBL24441",
     "name": "BETAHISTINE",
     "shared": 10,
     "union": 30,
     "tanimoto": 0.3333333333333333
    },
    {
     "index": 1746,
     "id": "CHEMBL1454910",
     "name": "NITROXOLINE",
     "shared": 11,
     "union": 35,
     "tanimoto": 0.3142857142857143
    },
    {
     "index": 1098,
     "id": "CHEMBL223448",
     "name": "BROXYQUINOLINE",
     "shared": 10,
     "union": 32,
     "tanimoto": 0.3125
    },
    {
     "index": 1450,
     "id": "CHEMBL1200596",
     "name": "CHLOROXINE",
     "shared": 10,
     "union": 32,
     "tanimoto": 0.3125
    },
    {
     "index": 481,
     "id": "CHEMBL942",
     "name": "BISACODYL",
     "shared": 11,
     "union": 38,
     "tanimoto": 0.2894736842105263
    },
    {
     "index": 1802,
     "id": "CHEMBL1741134",
     "name": "PICOSULFURIC ACID",
     "shared": 11,
     "union": 38,
     "tanimoto": 0.2894736842105263
    },
    {
     "index": 190,
     "id": "CHEMBL497",
     "name": "CLIOQUINOL",
     "shared": 10,
     "union": 35,
     "tanimoto": 0.2857142857142857
    },
    {
     "index": 1809,
     "id": "CHEMBL1788385",
     "name": "TILBROQUINOL",
     "shared": 10,
     "union": 35,
     "tanimoto": 0.2857142857142857
    },
    {
     "index": 335,
     "id": "CHEMBL700",
     "name": "SULFAPYRIDINE",
     "shared": 10,
     "union": 36,
     "tanimoto": 0.2777777777777778
    }
   ]
  },
  {
   "name": "benzoic acid",
   "smiles": "OC(=O)c1ccccc1",
   "describedSmiles": "O=C(O)c1ccccc1",
   "describedInchiKey": "WPYMKLBDIGXBTP-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    106,
    389,
    456,
    650,
    807,
    1088,
    1138,
    1199,
    1380,
    1385,
    1750,
    1873,
    1917,
    1985
   ],
   "forms": [],
   "topTen": [
    {
     "index": 686,
     "id": "CHEMBL1356",
     "name": "SODIUM BENZOATE",
     "shared": 11,
     "union": 19,
     "tanimoto": 0.5789473684210527
    },
    {
     "index": 1415,
     "id": "CHEMBL1200370",
     "name": "BENZOYL PEROXIDE",
     "shared": 11,
     "union": 20,
     "tanimoto": 0.55
    },
    {
     "index": 243,
     "id": "CHEMBL573",
     "name": "NIACIN",
     "shared": 12,
     "union": 23,
     "tanimoto": 0.5217391304347826
    },
    {
     "index": 135,
     "id": "CHEMBL424",
     "name": "SALICYLIC ACID",
     "shared": 10,
     "union": 22,
     "tanimoto": 0.45454545454545453
    },
    {
     "index": 637,
     "id": "CHEMBL1239",
     "name": "BENZYL BENZOATE",
     "shared": 11,
     "union": 26,
     "tanimoto": 0.4230769230769231
    },
    {
     "index": 1412,
     "id": "CHEMBL1200358",
     "name": "SODIUM PHENYLACETATE",
     "shared": 9,
     "union": 23,
     "tanimoto": 0.391304347826087
    },
    {
     "index": 917,
     "id": "CHEMBL14060",
     "name": "PHENOL",
     "shared": 7,
     "union": 18,
     "tanimoto": 0.3888888888888889
    },
    {
     "index": 1403,
     "id": "CHEMBL1194666",
     "name": "DIETHYLPROPION",
     "shared": 11,
     "union": 29,
     "tanimoto": 0.3793103448275862
    },
    {
     "index": 1151,
     "id": "CHEMBL269644",
     "name": "ACETANILIDE",
     "shared": 9,
     "union": 24,
     "tanimoto": 0.375
    },
    {
     "index": 19,
     "id": "CHEMBL25",
     "name": "ASPIRIN",
     "shared": 10,
     "union": 28,
     "tanimoto": 0.35714285714285715
    }
   ]
  },
  {
   "name": "sodium benzoate",
   "smiles": "[Na+].[O-]C(=O)c1ccccc1",
   "describedSmiles": "O=C([O-])c1ccccc1",
   "describedInchiKey": "WPYMKLBDIGXBTP-UHFFFAOYSA-M",
   "dropped": [
    "Na+"
   ],
   "onBits": [
    389,
    650,
    715,
    807,
    1088,
    1128,
    1179,
    1199,
    1226,
    1380,
    1385,
    1568,
    1750,
    1873,
    1917,
    1985
   ],
   "forms": [
    {
     "index": 686,
     "id": "CHEMBL1356",
     "name": "SODIUM BENZOATE",
     "shared": 16,
     "union": 16,
     "tanimoto": 1.0,
     "wholeMatch": true
    }
   ],
   "topTen": [
    {
     "index": 1415,
     "id": "CHEMBL1200370",
     "name": "BENZOYL PEROXIDE",
     "shared": 11,
     "union": 22,
     "tanimoto": 0.5
    },
    {
     "index": 1412,
     "id": "CHEMBL1200358",
     "name": "SODIUM PHENYLACETATE",
     "shared": 11,
     "union": 23,
     "tanimoto": 0.4782608695652174
    },
    {
     "index": 1894,
     "id": "CHEMBL2104095",
     "name": "CHOLINE SALICYLATE",
     "shared": 11,
     "union": 24,
     "tanimoto": 0.4583333333333333
    },
    {
     "index": 637,
     "id": "CHEMBL1239",
     "name": "BENZYL BENZOATE",
     "shared": 11,
     "union": 28,
     "tanimoto": 0.39285714285714285
    },
    {
     "index": 243,
     "id": "CHEMBL573",
     "name": "NIACIN",
     "shared": 10,
     "union": 27,
     "tanimoto": 0.37037037037037035
    },
    {
     "index": 640,
     "id": "CHEMBL1243",
     "name": "SULFABENZAMIDE",
     "shared": 12,
     "union": 33,
     "tanimoto": 0.36363636363636365
    },
    {
     "index": 135,
     "id": "CHEMBL424",
     "name": "SALICYLIC ACID",
     "shared": 9,
     "union": 25,
     "tanimoto": 0.36
    },
    {
     "index": 1403,
     "id": "CHEMBL1194666",
     "name": "DIETHYLPROPION",
     "shared": 11,
     "union": 31,
     "tanimoto": 0.3548387096774194
    },
    {
     "index": 683,
     "id": "CHEMBL1353",
     "name": "SODIUM BICARBONATE",
     "shared": 6,
     "union": 17,
     "tanimoto": 0.35294117647058826
    },
    {
     "index": 1940,
     "id": "CHEMBL2106975",
     "name": "POTASSIUM BICARBONATE",
     "shared": 6,
     "union": 17,
     "tanimoto": 0.35294117647058826
    }
   ]
  },
  {
   "name": "omeprazole (sulfoxide drawn S=O; the library draws [S+][O-])",
   "smiles": "COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1",
   "describedSmiles": "COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1",
   "describedInchiKey": "SUBDBMMJDZJVOS-UHFFFAOYSA-N",
   "dropped": null,
   "onBits": [
    80,
    110,
    119,
    252,
    322,
    333,
    378,
    427,
    462,
    474,
    535,
    626,
    650,
    695,
    718,
    752,
    781,
    841,
    875,
    944,
    989,
    1057,
    1076,
    1097,
    1114,
    1226,
    1256,
    1265,
    1284,
    1336,
    1380,
    1391,
    1452,
    1535,
    1536,
    1599,
    1722,
    1739,
    1745,
    1746,
    1750,
    1773,
    1855,
    1858,
    1873,
    1897,
    1939,
    1972
   ],
   "forms": [
    {
     "index": 773,
     "id": "CHEMBL1503",
     "name": "OMEPRAZOLE",
     "shared": 36,
     "union": 60,
     "tanimoto": 0.6,
     "wholeMatch": false
    }
   ],
   "topTen": [
    {
     "index": 1639,
     "id": "CHEMBL1201320",
     "name": "ESOMEPRAZOLE",
     "shared": 36,
     "union": 60,
     "tanimoto": 0.6
    },
    {
     "index": 772,
     "id": "CHEMBL1502",
     "name": "PANTOPRAZOLE",
     "shared": 25,
     "union": 76,
     "tanimoto": 0.32894736842105265
    },
    {
     "index": 759,
     "id": "CHEMBL1483",
     "name": "ALBENDAZOLE",
     "shared": 18,
     "union": 72,
     "tanimoto": 0.25
    },
    {
     "index": 34,
     "id": "CHEMBL45",
     "name": "MELATONIN",
     "shared": 17,
     "union": 70,
     "tanimoto": 0.24285714285714285
    },
    {
     "index": 326,
     "id": "CHEMBL685",
     "name": "MEBENDAZOLE",
     "shared": 17,
     "union": 71,
     "tanimoto": 0.23943661971830985
    },
    {
     "index": 548,
     "id": "CHEMBL1070",
     "name": "NABUMETONE",
     "shared": 15,
     "union": 63,
     "tanimoto": 0.23809523809523808
    },
    {
     "index": 2156,
     "id": "CHEMBL4297590",
     "name": "DARIDOREXANT",
     "shared": 21,
     "union": 89,
     "tanimoto": 0.23595505617977527
    },
    {
     "index": 627,
     "id": "CHEMBL1219",
     "name": "RABEPRAZOLE",
     "shared": 18,
     "union": 79,
     "tanimoto": 0.22784810126582278
    },
    {
     "index": 98,
     "id": "CHEMBL154",
     "name": "NAPROXEN",
     "shared": 14,
     "union": 63,
     "tanimoto": 0.2222222222222222
    },
    {
     "index": 180,
     "id": "CHEMBL480",
     "name": "LANSOPRAZOLE",
     "shared": 17,
     "union": 80,
     "tanimoto": 0.2125
    }
   ]
  },
  {
   "name": "esomeprazole",
   "smiles": "COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1",
   "describedSmiles": "COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1",
   "describedInchiKey": "SUBDBMMJDZJVOS-DEOSSOPVSA-N",
   "dropped": null,
   "onBits": [
    80,
    110,
    119,
    252,
    322,
    333,
    378,
    427,
    462,
    474,
    535,
    626,
    650,
    695,
    718,
    752,
    781,
    841,
    875,
    944,
    989,
    1057,
    1076,
    1097,
    1114,
    1226,
    1256,
    1265,
    1284,
    1336,
    1380,
    1391,
    1452,
    1535,
    1536,
    1599,
    1722,
    1739,
    1745,
    1746,
    1750,
    1773,
    1855,
    1858,
    1873,
    1897,
    1939,
    1972
   ],
   "forms": [
    {
     "index": 1639,
     "id": "CHEMBL1201320",
     "name": "ESOMEPRAZOLE",
     "shared": 36,
     "union": 60,
     "tanimoto": 0.6,
     "wholeMatch": false
    }
   ],
   "topTen": [
    {
     "index": 773,
     "id": "CHEMBL1503",
     "name": "OMEPRAZOLE",
     "shared": 36,
     "union": 60,
     "tanimoto": 0.6
    },
    {
     "index": 772,
     "id": "CHEMBL1502",
     "name": "PANTOPRAZOLE",
     "shared": 25,
     "union": 76,
     "tanimoto": 0.32894736842105265
    },
    {
     "index": 759,
     "id": "CHEMBL1483",
     "name": "ALBENDAZOLE",
     "shared": 18,
     "union": 72,
     "tanimoto": 0.25
    },
    {
     "index": 34,
     "id": "CHEMBL45",
     "name": "MELATONIN",
     "shared": 17,
     "union": 70,
     "tanimoto": 0.24285714285714285
    },
    {
     "index": 326,
     "id": "CHEMBL685",
     "name": "MEBENDAZOLE",
     "shared": 17,
     "union": 71,
     "tanimoto": 0.23943661971830985
    },
    {
     "index": 548,
     "id": "CHEMBL1070",
     "name": "NABUMETONE",
     "shared": 15,
     "union": 63,
     "tanimoto": 0.23809523809523808
    },
    {
     "index": 2156,
     "id": "CHEMBL4297590",
     "name": "DARIDOREXANT",
     "shared": 21,
     "union": 89,
     "tanimoto": 0.23595505617977527
    },
    {
     "index": 627,
     "id": "CHEMBL1219",
     "name": "RABEPRAZOLE",
     "shared": 18,
     "union": 79,
     "tanimoto": 0.22784810126582278
    },
    {
     "index": 98,
     "id": "CHEMBL154",
     "name": "NAPROXEN",
     "shared": 14,
     "union": 63,
     "tanimoto": 0.2222222222222222
    },
    {
     "index": 180,
     "id": "CHEMBL480",
     "name": "LANSOPRAZOLE",
     "shared": 17,
     "union": 80,
     "tanimoto": 0.2125
    }
   ]
  }
 ]
}