List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
1301 DB01489 experimental; illicit Camazepam 371.82 CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O
1302 DB01490 experimental; illicit Aminorex 162.19 NC1=NCC(O1)C1=CC=CC=C1
1303 DB01491 experimental; illicit Dipipanone 349.51 CCC(=O)C(CC(C)N1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
1304 DB01493 withdrawn Ethylestrenol 288.47 [H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
1305 DB01494 illicit; withdrawn Chloral betaine 282.55 OC(O)C(Cl)(Cl)Cl.C[N+](C)(C)CC([O-])=O
1306 DB01495 approved; illicit Dichloralphenazone 519.03 OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C1=CC=CC=C1
1307 DB01496 experimental; illicit Barbituric acid derivative 368.33 FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1
1308 DB01497 illicit; vet_approved Etorphine 411.53 [H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3
1309 DB01498 experimental; illicit Alphamethadol 311.46 CC[C@@H](O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
1310 DB01499 experimental; illicit Alphameprodine 275.39 CC[C@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1
1311 DB01500 experimental; illicit Oxabolone 290.40 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C(O)=C3CC[C@@]21[H]
1312 DB01501 approved; illicit Difenoxin 424.53 OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
1313 DB01502 experimental; illicit Diampromide 324.46 CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C1=CC=CC=C1
1314 DB01503 experimental; illicit 1-Androstenediol 290.45 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
1315 DB01505 experimental; illicit Etoxeridine 321.41 CCOC(=O)C1(CCN(CCOCCO)CC1)C1=CC=CC=C1
1316 DB01506 experimental; illicit 1-Phenylcyclohexylamine 175.27 NC1(CCCCC1)C1=CC=CC=C1
1317 DB01509 experimental; illicit Tenamfetamine 179.22 CC(N)CC1=CC2=C(OCO2)C=C1
1318 DB01511 experimental; illicit Delorazepam 305.16 ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
1319 DB01512 experimental; illicit Hydromorphinol 303.35 [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@@H]2O
1320 DB01513 experimental; illicit 17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane 306.49 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
1321 DB01514 illicit Furazabol 330.46 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NON=C3C[C@]12C
1322 DB01515 experimental; illicit Benzoylecgonine 289.33 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(O)=O)N2C
1323 DB01516 experimental; illicit 3,4,5-Trimethoxyamphetamine 225.28 COC1=CC(CC(C)N)=CC(OC)=C1OC
1324 DB01518 experimental; illicit Benzethidine 367.48 CCOC(=O)C1(CCN(CCOCC2=CC=CC=C2)CC1)C1=CC=CC=C1
1325 DB01520 experimental; illicit; investigational Tenocyclidine 249.42 C1CCN(CC1)C1(CCCCC1)C1=CC=CS1
1326 DB01521 experimental; illicit Clostebol 322.87 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C
1327 DB01522 experimental; illicit Betacetylmethadol 353.50 CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
1328 DB01523 experimental; illicit Clonitazene 386.88 CCN(CC)CCN1C(CC2=CC=C(Cl)C=C2)=NC2=C1C=CC(=C2)[N+]([O-])=O
1329 DB01524 experimental; illicit Androstenediol 290.44 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
1330 DB01525 experimental; illicit Ecgonine 185.22 [H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C
1331 DB01526 experimental; illicit 4-Androstenediol 290.44 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C
1332 DB01527 experimental Clortermine 183.68 CC(C)(N)CC1=CC=CC=C1Cl
1333 DB01528 experimental; illicit 4-Methyl-2,5-dimethoxyamphetamine 209.29 COC1=CC(CC(C)N)=C(OC)C=C1C
1334 DB01529 experimental; illicit Dextromoramide 392.54 C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
1335 DB01530 experimental; illicit 5alpha-androstane-3alpha,17beta-diol 292.46 [H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
1336 DB01531 experimental; illicit Desomorphine 271.36 [H][C@@]12CCC[C@@]3([H])[C@@]4([H])CC5=CC=C(O)C(O1)=C5[C@@]23CCN4C
1337 DB01532 illicit α-Methylacetylfentanyl 336.47 CC(CC1=CC=CC=C1)N1CCC(CC1)N(C(C)=O)C1=CC=CC=C1
1338 DB01533 experimental; illicit Diethylthiambutene 291.48 CCN(CC)C(C)C=C(C1=CC=CS1)C1=CC=CS1
1339 DB01534 experimental; illicit Chlorhexadol 265.56 CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl
1340 DB01535 illicit; investigational; vet_approved Carfentanil 394.51 CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC
1341 DB01536 experimental; illicit Androstenedione 286.41 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
1342 DB01537 experimental; illicit 4-Bromo-2,5-dimethoxyphenethylamine 260.13 COC1=CC(Br)=C(OC)C=C1CCN
1343 DB01538 experimental; illicit Acetyldihydrocodeine 343.42 [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2OC(C)=O
1344 DB01539 experimental; illicit 1-Piperidinocyclohexanecarbonitrile 192.30 N#CC1(CCCCC1)N1CCCCC1
1345 DB01540 illicit 17alpha-methyl-4-hydroxynandrolone 304.43 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C(O)=C3CC[C@@]21[H]
1346 DB01541 illicit; vet_approved Boldenone 286.41 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
1347 DB01542 experimental; illicit Allylprodine 287.40 CCC(=O)OC1(CCN(C)CC1CC=C)C1=CC=CC=C1
1348 DB01543 experimental; illicit 18-methyl-19-nortestosterone 288.43 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
1349 DB01544 approved; illicit Flunitrazepam 313.28 CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F
1350 DB01545 experimental; illicit Ethyl loflazepate 360.77 CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2
1351 DB01546 illicit; investigational; withdrawn Etryptamine 188.27 CCC(N)CC1=CNC2=CC=CC=C12
1352 DB01547 experimental; illicit Drotebanol 333.42 [H][C@]12CC3=C(C(OC)=C(OC)C=C3)[C@@]3(CCN1C)C[C@H](O)CC[C@@]23O
1353 DB01548 illicit; vet_approved Diprenorphine 425.57 [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O
1354 DB01549 experimental; illicit Rolicyclidine 229.36 C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1
1355 DB01550 experimental; illicit; withdrawn Fenproporex 188.27 CC(CC1=CC=CC=C1)NCCC#N
1356 DB01551 approved; illicit Dihydrocodeine 301.38 [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O
1357 DB01552 experimental; illicit Betameprodine 275.39 CC[C@@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1
1358 DB01553 experimental Cloxazolam 349.21 ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1
1359 DB01554 experimental; illicit Bolandiol 276.42 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
1360 DB01555 experimental; illicit Alphacetylmethadol 353.50 CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
1361 DB01556 illicit; withdrawn Chlorphentermine 183.68 CC(C)(N)CC1=CC=C(Cl)C=C1
1362 DB01557 illicit α-Methylfentanyl 350.50 CCC(=O)N(C1CCN(CC1)C(C)CC1=CC=CC=C1)C1=CC=CC=C1
1363 DB01558 approved; illicit; investigational Bromazepam 316.15 BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1
1364 DB01559 approved; illicit Clotiazepam 318.82 CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl
1365 DB01560 illicit Cathinone 149.19 C[C@H](N)C(=O)C1=CC=CC=C1
1366 DB01561 experimental; illicit Androstanedione 288.42 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
1367 DB01562 experimental; illicit 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine 323.43 CC(=O)OC1(CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
1368 DB01563 approved; illicit; investigational; vet_approved Chloral hydrate 165.40 OC(O)C(Cl)(Cl)Cl
1369 DB01564 experimental; illicit Calusterone 316.48 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C
1370 DB01565 experimental; illicit Dihydromorphine 287.35 [H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O
1371 DB01566 experimental; illicit Methylenedioxyethamphetamine 207.27 CCNC(C)CC1=CC2=C(OCO2)C=C1
1372 DB01567 experimental; illicit Fludiazepam 302.73 CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
1373 DB01568 experimental; illicit Codeine-N-oxide 315.36 [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CC[N@+](C)([O-])[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
1374 DB01569 experimental; illicit Formebolone 344.45 [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C
1375 DB01570 illicit Ohmefentanyl 366.50 CCC(=O)N(C1CCN(CC(O)C2=CC=CC=C2)CC1C)C1=CC=CC=C1
1376 DB01571 illicit 3-Methylfentanyl 350.50 CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1
1377 DB01572 experimental; illicit Methyl-1-testosterone 302.46 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C
1378 DB01573 experimental; illicit Benzylmorphine 375.46 [H][C@@]12OC3=C(OCC4=CC=CC=C4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
1379 DB01574 approved; vet_approved Attapulgite 412.68 [O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Al+3].[Si+4].[Si+4].[Si+4].[Si+4].[O-][H].[H]O[H].[H]O[H].[H]O[H].[H]O[H]
1380 DB01575 approved Kaolin 258.16 O.O.[Al+3].[Al+3].[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-]
1381 DB01576 approved; illicit Dextroamphetamine 135.21 C[C@H](N)CC1=CC=CC=C1
1382 DB01577 approved; illicit Metamfetamine 149.23 CN[C@@H](C)CC1=CC=CC=C1
1383 DB01578 experimental Metrizamide 789.10 CN(C(C)=O)C1=C(I)C(C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)=C(I)C(NC(C)=O)=C1I
1384 DB01579 approved; illicit Phendimetrazine 191.27 C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1
1385 DB01580 approved Oxprenolol 265.35 CC(C)NCC(O)COC1=CC=CC=C1OCC=C
1386 DB01581 approved; vet_approved Sulfamerazine 264.30 CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1
1387 DB01582 approved; investigational; vet_approved Sulfamethazine 278.33 CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1
1388 DB01583 approved Liotrix 1471.81 [Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O
1389 DB01586 approved; investigational Ursodeoxycholic acid 392.57 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
1390 DB01587 approved Ketazolam 368.81 CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1
1391 DB01588 approved; illicit Prazepam 324.80 ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1
1392 DB01589 approved; illicit Quazepam 386.79 FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2
1393 DB01590 approved Everolimus 958.24 [H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC
1394 DB01591 approved Solifenacin 362.47 O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1
1395 DB01592 approved Iron 55.85 [Fe]
1396 DB01593 approved; investigational Zinc 65.41 [Zn]
1397 DB01594 experimental Cinolazepam 357.77 OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O
1398 DB01595 approved Nitrazepam 281.27 [O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1
1399 DB01597 approved; investigational Cilastatin 358.45 CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O
1400 DB01598 approved Imipenem 299.35 [H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

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