fluazinam / 1 / FC(C1=CN=C(NC2=C([N+]([O-])=O)C=C(C(F)(F)F)C(Cl)=C2[N+]([O-])=O)C(Cl)=C1)(F)F
silthiofam / 1 / O=C(C1=C([Si](C)(C)C)SC(C)=C1C)NCC=C
hymexazol / 1 / OC1=NOC(C)=C1
octhilinone / 1 / O=C1N(CCCCCCCC)SC=C1
oxolinic acid / 1 / O=C(C1=CN(CC)C2=C(C=C3C(OCO3)=C2)C1=O)O
pencycuron / 1 / O=C(NC2=CC=CC=C2)N(CC3=CC=C(Cl)C=C3)C1CCCC1
fluopicolide / 1 / O=C(NCC2=NC=C(C(F)(F)F)C=C2Cl)C1=C(Cl)C=CC=C1Cl
diflumetorim / 1 / CC1=NC=NC(NC(C2=CC=C(OC(F)F)C=C2)CC)=C1Cl
binapacryl / 1 / C/C(C)=C/C(OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1C(C)CC)=O
meptyldinocap / 1 / C/C=C/C(OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1C(C)CCCCCC)=O
ferimzone / 1 / C/C(C2=CC=CC=C2C)=N/NC1=NC(C)=CC(C)=N1
pyributicarb / 1 / S=C(OC1=CC=CC(C(C)(C)C)=C1)N(C2=NC(OC)=CC=C2)C
validamycin / 1 / OCC1=C[C@H](NC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)C2)[C@H](O)[C@@H](O)[C@@H]1O
fthalide / 1 / O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl
pyroquilon / 1 / O=C1N3C2=C(C=CC=C2CC3)CC1
tricyclazole / 1 / CC3=C2N1C(SC2=CC=C3)=NN=C1
acibenzolar-S-methyl / 1 / O=C(C1=C(SN=N2)C2=CC=C1)SC
probenazole / 1 / C=CCOC(C2=C1C=CC=C2)=NS1(=O)=O
tiadinil / 1 / O=C(C2=C(C)N=NS2)NC1=CC=C(C)C(Cl)=C1
isotianil / 1 / O=C(C2=C(Cl)C(Cl)=NS2)NC1=CC=CC=C1C#N
ferbam / 1 / S=C(S[Fe](SC(N(C)C)=S)SC(N(C)C)=S)N(C)C
thiram / 1 / S=C(SSC(N(C)C)=S)N(C)C
ziram / 1 / S=C(S[Zn]SC(N(C)C)=S)N(C)C
captan / 1 / O=C(C2C1CC=CC2)N(SC(Cl)(Cl)Cl)C1=O
captafol / 1 / O=C(C2C1CC=CC2)N(SC(Cl)(Cl)C(Cl)Cl)C1=O
folpet / 1 / O=C(N2SC(Cl)(Cl)Cl)C1=CC=CC=C1C2=O
chlorothalonil / 1 / N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl
dichlofluanid / 1 / O=S(N(C)C)(N(SC(Cl)(Cl)F)C1=CC=CC=C1)=O
tolylfluanid / 1 / O=S(N(C)C)(N(SC(Cl)(Cl)F)C1=CC=C(C)C=C1)=O
iminoctadine / 1 / NC(NCCCCCCCCNCCCCCCCCNC(N)=N)=N
anilazine / 1 / ClC1=CC=CC=C1NC2=NC(Cl)=NC(Cl)=N2
dithianon / 1 / N#CC1=C(C#N)SC(C(C3=C2C=CC=C3)=O)=C(C2=O)S1
teclofthalam / 1 / O=C(O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(NC2=CC=CC(Cl)=C2Cl)=O
triazoxide / 1 / ClC2=CC1=N(N=C(N3C=CN=C3)N=C1C=C2)=O
flusulfamide / 1 / O=S(C1=CC=C(Cl)C(C(F)(F)F)=C1)(NC2=CC=C([N+]([O-])=O)C=C2Cl)=O
diclomezine / 1 / O=C1C=CC(C2=CC(Cl)=C(C)C(Cl)=C2)=NN1
methasulfocarb / 1 / O=C(SC1=CC=C(OS(=O)(C)=O)C=C1)NC
ethaboxam / 1 / O=C(C2=C(CC)N=C(NCC)S2)NC(C#N)C1=CC=CS1
Acetaminophen / -1 / Oc1ccc(NC(C)=O)cc1
Acetazolamide / -1 / O=S(N)(=O)c1nnc(NC(C)=O)s1
Amantadine / -1 / NC13CC2CC(CC(C1)C2)C3
Amineptine / -1 / O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12
Amiodarone / -1 / CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC
Amlodipine / -1 / O=C(OC)C1=C(C)NC(COCCN)=C(C1c2ccccc2Cl)C(=O)OCC
Aprobarbital / -1 / O=C1NC(=O)NC(=O)C1(CC=C)C(C)C
Artane / -1 / OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3
Aspirin / -1 / O=C(C)Oc1ccccc1C(=O)O
Atenolol / -1 / CC(C)NCC(O)COc1ccc(cc1)CC(N)=O
Azathioprine / -1 / O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12
Baclofen / -1 / Clc1ccc(cc1)C(CN)CC(=O)O
Bromocriptine / -1 / Brc3nc2cccc1C4=C[C@H](CN(C)C4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCCC56)C7=O)C(C)C
Buclizine / -1 / CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Buprenorphine / -1 / CC(C)(C)C(C)(O)[C@H]1C[C@]75CC[C@]1(OC)[C@@H]2Oc4c(O)ccc3C[C@H]7[N@](CC[C@]25c34)CC6CC6
Busulfan / -1 / O=S(C)(=O)OCCCCOS(C)(=O)=O
Caffeine / -1 / O=C2c1n(C)cnc1N(C)C(=O)N2C
Cantil / -1 / O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3
Carbachol / -1 / C[N+](C)(C)CCOC(=O)N
Carbamazepine / -1 / NC(=O)N2c3ccccc3C=Cc1ccccc12
Carisoprodol / -1 / O=C(NC(C)C)OCC(C)(COC(=O)N)CCC
Carvedilol / -1 / COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23
Cefoperazone / -1 / O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C5SCC(CSc3nnnn3C)=C4C(=O)O
Chloral hydrate / -1 / ClC(Cl)(Cl)C(O)O
Chlorambucil / -1 / O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl
Chlordiazepoxide / -1 / Clc1ccc2N=C(C[N+]([O-])=C(c2c1)c3ccccc3)NC
Chlorpropamide / -1 / O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1
Chlorthalidone / -1 / NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23
Clidinium / -1 / OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3
Clobazam / -1 / Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c3ccccc3
Clomipramine / -1 / CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12
Clonidine / -1 / Clc2cccc(Cl)c2\N=C1/NCCN1
Codeine / -1 / COc1ccc2C[C@H]5[N@@](C)CC[C@@]43C5C=C[C@H](O)[C@@H]4Oc1c23
Colchicine / -1 / CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12
Cromolyn / -1 / O=C(O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C(=O)O)c3C(=O)C=4
Cyclosporin / -1 / CC(C\C=C\C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C)C(C)C
Cytarabine / -1 / NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O
Desipramine / -1 / CNCCCN2c3ccccc3CCc1ccccc12
Dexamethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C
Diazepam / -1 / Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3
Didanosine / -1 / O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1
Dimercaprol / -1 / OCC(S)CS
Diphenhydramine / -1 / CN(C)CCOC(c1ccccc1)c2ccccc2
Diphenidol / -1 / OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3
Dobutamine / -1 / Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O
Dofetilide / -1 / CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O
Dopamine / -1 / Oc1ccc(CCN)cc1O
Doxazosin / -1 / COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4
Doxepin / -1 / CN(C)CC\C=C1/c3ccccc3OCc2ccccc12
Doxorubicin / -1 / OCC(=O)[C@@]4(O)CC(OC1C[C@@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
Dronabinol / -1 / CCCCCc3cc2OC(C)(C)C1CCC(C)=CC1c2c(O)c3
Efavirenz / -1 / FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23
Epinephrine / -1 / Oc1ccc(cc1O)[C@@H](O)CNC
Eprosartan / -1 / OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O
Ergotamine / -1 / CN2C[C@@H](C=C1c3cccc4ncc(CC12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCCC67)C8=O
Estazolam / -1 / Clc2cc3C(=NCc1nncn1c3cc2)c4ccccc4
Ethosuximide / -1 / CC1(CC)CC(=O)NC1=O
Etoposide / -1 / COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(OC3OC4COC(C)OC4C(O)C3O)C6COC(=O)[C@H]56
Felbamate / -1 / NC(=O)OCC(COC(N)=O)c1ccccc1
Fentanyl / -1 / CCC(=O)N(C2CCN(CCc1ccccc1)CC2)c3ccccc3
Fexofenadine / -1 / O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
Flecainide / -1 / FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2
Flunarizine / -1 / Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4
Flunisolide / -1 / OCC(=O)[C@@]54OC(C)(C)O[C@@H]5CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Fluoxetine / -1 / FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2
Fluticasone propionate / -1 / O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C
Fluvoxamine / -1 / FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN
Gabapentin / -1 / NCC1(CC(=O)O)CCCCC1
Gestodene / -1 / O=C2CCC3C4CC[C@@]1(CC)C(C=C[C@@]1(O)C#C)C4CCC3=C2
Glutethimide / -1 / CCC1(CCC(=O)NC1=O)c2ccccc2
Glycopyrrolate / -1 / C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3
Halofantrine / -1 / CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F
Halothane / -1 / BrC(Cl)C(F)(F)F
Hydromorphone / -1 / O=C1CCC3[C@H]2Cc5ccc(O)c4O[C@@H]1[C@]3(CC[N@@]2C)c45
Ibuprofen / -1 / CC(C(=O)O)c1ccc(CC(C)C)cc1
Idarubicin / -1 / CC(=O)[C@@]4(O)C[C@H](OC1CC(N)C(O)C(C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4
Indapamide / -1 / NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C
Indomethacin / -1 / Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC
Isoetharine / -1 / Oc1ccc(cc1O)C(O)C(CC)NC(C)C
Ketamine / -1 / CNC1(CCCCC1=O)c2ccccc2Cl
Labetalol / -1 / O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2
Lacidipine / -1 / CC(N2)=C(C(OCC)=O)C(C(C(OCC)=O)=C2C)C(C=CC=C1)=C1/C=C/C(OC(C)(C)C)=O
Leflunomide / -1 / Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F
Leuprorelin / -1 / O=C(NCC)[C@@H]6CCCN6C(=O)C(N)CCCNC(=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc3cnc2ccccc23)NC(=O)C(Cc4cncn4)NC(=O)C5CCC(=O)N5
Levodopa / -1 / Oc1ccc(C[C@H](N)C(=O)O)cc1O
Lidocaine / -1 / O=C(Nc1c(C)cccc1C)CN(CC)CC
Loratadine / -1 / Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3
Loxapine / -1 / CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23
Meclizine / -1 / Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Medroxyprogesterone / -1 / CC(=O)[C@@]2(O)CCC1C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Megestrol (acetate) / -1 / CC(=O)[C@@]2(OC(C)=O)CCC1C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Melfalan / -1 / O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl
Meprobamate / -1 / O=C(N)OCC(C)(COC(=O)N)CCC
Methantheline / -1 / CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12
Methocarbamol / -1 / NC(=O)OCC(O)COc1ccccc1OC
Methoxyflurane / -1 / ClC(Cl)C(F)(F)OC
Methscopolamine / -1 / OC[C@H](c1ccccc1)C(=O)OC2CC3C4OC4C(C2)[N+]3(C)C
Methsuximide / -1 / CC1(CC(=O)N(C)C1=O)c2ccccc2
Methylphenidate / -1 / O=C(OC)C(C1CCCCN1)c2ccccc2
Metoclopramide / -1 / Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC
Midodrine / -1 / COc1ccc(cc1C(O)CNC(=O)CN)OC
Mirtazapine / -1 / CN1CC2N(CC1)c4ncccc4Cc3ccccc23
Modafinil / -1 / O=S(CC(N)=O)C(c1ccccc1)c2ccccc2
Montelukast / -1 / CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC(=O)O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3
Moricizine / -1 / O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4
Morphine / -1 / Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Nadolol / -1 / CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12
Nalbuphine / -1 / Oc1ccc2C[C@H]4[N@](CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@]45O)CC6CCC6
Naloxone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CC[N@@]2CC=C)c34
Nefazodone / -1 / Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4
Nifedipine / -1 / CC(N2)=C(C(OC)=O)C(C(C(OC)=O)=C2C)C1=CC=CC=C1[N+]([O-])=O
Nitroglycerin / -1 / O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-]
Olanzapine / -1 / CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23
Oxaprozin / -1 / OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3
Oxcarbazepine / -1 / NC(=O)N3c1ccccc1C(=O)Cc2ccccc23
Oxycodone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CC[N@@]2C)c34
Paramethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Pecazine / -1 / CN1CCCC(C1)CN2c4ccccc4Sc3ccccc23
Penbutolol / -1 / CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2
Phenelzine / -1 / NNCCc1ccccc1
Phensuximide / -1 / O=C1C(CC(=O)N1C)c2ccccc2
Phentolamine / -1 / Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3
Phenylbutazone / -1 / O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2
Phenytoin / -1 / O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
Pilocarpine / -1 / Cn2cncc2C[C@H]1COC(=O)[C@H]1CC
Pimozide / -1 / Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5
Probenecid / -1 / O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O
Procarazine / -1 / CC(C)NC(=O)c1ccc(CNNC)cc1
Procyclidine / -1 / OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
Promazine / -1 / CN(C)CCCN1c3ccccc3Sc2ccccc12
Propantheline / -1 / CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C
Pyrantel / -1 / CN2CCCN=C2/C=C/c1cccs1
Quazepam / -1 / Fc3ccccc3C2=NCC(=S)N(CC(F)(F)F)c1ccc(Cl)cc12
Quinidine / -1 / COc1cc2c(cc1)nccc2[C@H](O)C4CC3CCN4CC3C=C
Rifampin / -1 / CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O
Risperidone / -1 / FC3=CC1=C(C=C3)C(C2CCN(CCC4=C(C)N=C5N(CCCC5)C4=O)CC2)=NO1
Ropinirole / -1 / CCCN(CCC)CCc1cccc2NC(=O)Cc12
Salbutamol / -1 / OCc1cc(ccc1O)C(O)CNC(C)(C)C
Salmeterol / -1 / OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
Sertraline / -1 / Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23
Sotalol / -1 / O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C
Sulfinpyrazone / -1 / O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3
Tegafur / -1 / FC1=CN(C(=O)NC1=O)C2CCCO2
Terpin / -1 / C[C@@]1(O)CC[C@@H](CC1)C(C)(C)O
Tolbutamide / -1 / Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC
Tranylcypromine / -1 / N[C@@H]2C[C@H]2c1ccccc1
Trazodone / -1 / Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O
Trimipramine / -1 / CN(C)CC(C)CN2c3ccccc3CCc1ccccc12
Valproic acid / -1 / CCCC(CCC)C(=O)O
Vancomycin / -1 / O=C(O)[C@@H]%10NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c7ccc(Oc5cc6cc(Oc1ccc(cc1Cl)[C@H]2O)c5OC4OC(CO)C(O)C(O)C4OC3CC(C)(N)C(O)C(C)O3)c(Cl)c7)c8ccc(O)c(c8)c9c(O)cc(O)cc9%10
Venlafaxine / -1 / OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2
Verapamil / -1 / COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C
Wytensin / -1 / Clc1cccc(Cl)c1/C=N/NC(=N)N
Zafirlukast / -1 / Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5
Zaleplon / -1 / CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N
Zileuton / -1 / NC(=O)N(O)C(C)c1cc2ccccc2s1
Zonisamide / -1 / NS(=O)(=O)Cc2noc1ccccc12
Zopiclone / -1 / CN1CCN(CC1)C(=O)OC4c2nccnc2C(=O)N4c3ccc(Cl)cn3
zoxamide / 1 / CC1=C(Cl)C=C(C(NC(C)(CC)C(CCl)=O)=O)C=C1Cl
fentin acetate / 1 / O=C(C)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C1=CC=CC=C1
fentin hydroxide / 1 / O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C1=CC=CC=C1
fentin chloride / 1 / Cl[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C1=CC=CC=C1
blasticidin-S / 1 / O=C1N=C(N)C=CN1[C@H]2C=C[C@H](NC(C[C@@H](CCN(C)C(N)=N)N)=O)[C@@H]([C@@](O)=O)O2
fenpiclonil / 1 / N#CC1=CNC=C1C2=CC=CC(Cl)=C2Cl
fludioxonil / 1 / N#CC1=CNC=C1C3=C2OC(F)(F)OC2=CC=C3
edifenphos / 1 / O=P(SC1=CC=CC=C1)(SC2=CC=CC=C2)OCC
iprobenfos (IBP) / 1 / O=P(OC(C)C)(SCC1=CC=CC=C1)OC(C)C
pyrazophos / 1 / O=C(C2=CN1C(N=C2C)=CC(OP(OCC)(OCC)=S)=N1)OCC
isoprothiolane / 1 / O=C(OC(C)C)/C(C(OC(C)C)=O)=C1SCCS\1
biphenyl / 1 / C1(C2=CC=CC=C2)=CC=CC=C1
chloroneb / 1 / COC1=C(Cl)C=C(OC)C(Cl)=C1
dicloran / 1 / NC1=C(Cl)C=C([N+]([O-])=O)C=C1Cl
quintozene (PCNB) / 1 / O=[N+](C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl)[O-]
tecnazene (TCNB) / 1 / O=[N+](C1=C(Cl)C(Cl)=CC(Cl)=C1Cl)[O-]
tolclofos-methyl / 1 / S=P(OC1=C(Cl)C=C(C)C=C1Cl)(OC)OC
etridiazole / 1 / ClC(C1=NSC(OCC)=N1)(Cl)Cl
iodocarb / 1 / O=C(OCC#CI)NCCCC
propamocarb / 1 / O=C(OCCC)NCCCN(C)C
prothiocarb / 1 / O=C(SCC)NCCCN(C)C
dimethomorph / 1 / O=C(N2CCOCC2)/C=C(C3=CC=C(Cl)C=C3)/C1=CC=C(OC)C(OC)=C1
flumorph / 1 / O=C(N2CCOCC2)/C=C(C3=CC=C(OC)C(OC)=C3)/C1=CC=C(F)C=C1
benthiavalicarb / 1 / O=C(O)N[C@H](C(N[C@@H](C2=NC1=CC=C(F)C=C1S2)C)=O)C(C)C
iprovalicarb / 1 / O=C(OC(C)C)N[C@H](C(NC(C1=CC=C(C)C=C1)C)=O)C(C)C
valifenalate / 1 / ClC1=CC=C(C(CC(OC)=O)N[C@@]([C@@H](NC(OC(C)C)=O)C(C)C)=O)C=C1
mandipropamid / 1 / O=C(NCCC1=CC=C(OCC#C)C(OC)=C1)C(C2=CC=C(Cl)C=C2)OCC#C
aldimorph / 1 / CC1CN(CCCCCCCCCCCC)CC(C)O1
dodemorph / 1 / CC1CN(C2CCCCCCCCCCC2)CC(C)O1
fenpropimorph / 1 / C[C@@H]1CN(CC(C)CC2=CC=C(C(C)(C)C)C=C2)C[C@H](C)O1
fenpropidin / 1 / CC(CC2=CC=C(C(C)(C)C)C=C2)CN1CCCCC1
piperalin / 1 / O=C(OCCCN2C(C)CCCC2)C1=CC=C(Cl)C(Cl)=C1
spiroxamine / 1 / CCCN(CC)CC1OC2(CCC(C(C)(C)C)CC2)OC1
fenhexamid / 1 / O=C(C2(C)CCCCC2)NC1=CC=C(O)C(Cl)=C1Cl
cymoxanil / 1 / O=C(NCC)NC(/C(C#N)=N/OC)=O
dodine / 1 / N/C(NCCCCCCCCCCCC)=[N+]([H])\[H]
Acetaminophen / -1 / Oc1ccc(NC(C)=O)cc1
Acetazolamide / -1 / O=S(N)(=O)c1nnc(NC(C)=O)s1
Amantadine / -1 / NC13CC2CC(CC(C1)C2)C3
Amineptine / -1 / O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12
Amiodarone / -1 / CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC
Amlodipine / -1 / O=C(OC)C1=C(C)NC(COCCN)=C(C1c2ccccc2Cl)C(=O)OCC
Aprobarbital / -1 / O=C1NC(=O)NC(=O)C1(CC=C)C(C)C
Artane / -1 / OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3
Aspirin / -1 / O=C(C)Oc1ccccc1C(=O)O
Atenolol / -1 / CC(C)NCC(O)COc1ccc(cc1)CC(N)=O
Azathioprine / -1 / O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12
Baclofen / -1 / Clc1ccc(cc1)C(CN)CC(=O)O
Bromocriptine / -1 / Brc3nc2cccc1C4=C[C@H](CN(C)C4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCCC56)C7=O)C(C)C
Buclizine / -1 / CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Buprenorphine / -1 / CC(C)(C)C(C)(O)[C@H]1C[C@]75CC[C@]1(OC)[C@@H]2Oc4c(O)ccc3C[C@H]7[N@](CC[C@]25c34)CC6CC6
Busulfan / -1 / O=S(C)(=O)OCCCCOS(C)(=O)=O
Caffeine / -1 / O=C2c1n(C)cnc1N(C)C(=O)N2C
Cantil / -1 / O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3
Carbachol / -1 / C[N+](C)(C)CCOC(=O)N
Carbamazepine / -1 / NC(=O)N2c3ccccc3C=Cc1ccccc12
Carisoprodol / -1 / O=C(NC(C)C)OCC(C)(COC(=O)N)CCC
Carvedilol / -1 / COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23
Cefoperazone / -1 / O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C5SCC(CSc3nnnn3C)=C4C(=O)O
Chloral hydrate / -1 / ClC(Cl)(Cl)C(O)O
Chlorambucil / -1 / O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl
Chlordiazepoxide / -1 / Clc1ccc2N=C(C[N+]([O-])=C(c2c1)c3ccccc3)NC
Chlorpropamide / -1 / O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1
Chlorthalidone / -1 / NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23
Clidinium / -1 / OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3
Clobazam / -1 / Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c3ccccc3
Clomipramine / -1 / CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12
Clonidine / -1 / Clc2cccc(Cl)c2\N=C1/NCCN1
Codeine / -1 / COc1ccc2C[C@H]5[N@@](C)CC[C@@]43C5C=C[C@H](O)[C@@H]4Oc1c23
Colchicine / -1 / CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12
Cromolyn / -1 / O=C(O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C(=O)O)c3C(=O)C=4
Cyclosporin / -1 / CC(C\C=C\C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C)C(C)C
Cytarabine / -1 / NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O
Desipramine / -1 / CNCCCN2c3ccccc3CCc1ccccc12
Dexamethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C
Diazepam / -1 / Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3
Didanosine / -1 / O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1
Dimercaprol / -1 / OCC(S)CS
Diphenhydramine / -1 / CN(C)CCOC(c1ccccc1)c2ccccc2
Diphenidol / -1 / OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3
Dobutamine / -1 / Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O
Dofetilide / -1 / CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O
Dopamine / -1 / Oc1ccc(CCN)cc1O
Doxazosin / -1 / COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4
Doxepin / -1 / CN(C)CC\C=C1/c3ccccc3OCc2ccccc12
Doxorubicin / -1 / OCC(=O)[C@@]4(O)CC(OC1C[C@@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
Dronabinol / -1 / CCCCCc3cc2OC(C)(C)C1CCC(C)=CC1c2c(O)c3
Efavirenz / -1 / FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23
Epinephrine / -1 / Oc1ccc(cc1O)[C@@H](O)CNC
Eprosartan / -1 / OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O
Ergotamine / -1 / CN2C[C@@H](C=C1c3cccc4ncc(CC12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCCC67)C8=O
Estazolam / -1 / Clc2cc3C(=NCc1nncn1c3cc2)c4ccccc4
Ethosuximide / -1 / CC1(CC)CC(=O)NC1=O
Etoposide / -1 / COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(OC3OC4COC(C)OC4C(O)C3O)C6COC(=O)[C@H]56
Felbamate / -1 / NC(=O)OCC(COC(N)=O)c1ccccc1
Fentanyl / -1 / CCC(=O)N(C2CCN(CCc1ccccc1)CC2)c3ccccc3
Fexofenadine / -1 / O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
Flecainide / -1 / FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2
Flunarizine / -1 / Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4
Flunisolide / -1 / OCC(=O)[C@@]54OC(C)(C)O[C@@H]5CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Fluoxetine / -1 / FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2
Fluticasone propionate / -1 / O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C
Fluvoxamine / -1 / FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN
Gabapentin / -1 / NCC1(CC(=O)O)CCCCC1
Gestodene / -1 / O=C2CCC3C4CC[C@@]1(CC)C(C=C[C@@]1(O)C#C)C4CCC3=C2
Glutethimide / -1 / CCC1(CCC(=O)NC1=O)c2ccccc2
Glycopyrrolate / -1 / C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3
Halofantrine / -1 / CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F
Halothane / -1 / BrC(Cl)C(F)(F)F
Hydromorphone / -1 / O=C1CCC3[C@H]2Cc5ccc(O)c4O[C@@H]1[C@]3(CC[N@@]2C)c45
Ibuprofen / -1 / CC(C(=O)O)c1ccc(CC(C)C)cc1
Idarubicin / -1 / CC(=O)[C@@]4(O)C[C@H](OC1CC(N)C(O)C(C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4
Indapamide / -1 / NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C
Indomethacin / -1 / Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC
Isoetharine / -1 / Oc1ccc(cc1O)C(O)C(CC)NC(C)C
Ketamine / -1 / CNC1(CCCCC1=O)c2ccccc2Cl
Labetalol / -1 / O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2
Lacidipine / -1 / CC(N2)=C(C(OCC)=O)C(C(C(OCC)=O)=C2C)C(C=CC=C1)=C1/C=C/C(OC(C)(C)C)=O
Leflunomide / -1 / Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F
Leuprorelin / -1 / O=C(NCC)[C@@H]6CCCN6C(=O)C(N)CCCNC(=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc3cnc2ccccc23)NC(=O)C(Cc4cncn4)NC(=O)C5CCC(=O)N5
Levodopa / -1 / Oc1ccc(C[C@H](N)C(=O)O)cc1O
Lidocaine / -1 / O=C(Nc1c(C)cccc1C)CN(CC)CC
Loratadine / -1 / Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3
Loxapine / -1 / CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23
Meclizine / -1 / Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Medroxyprogesterone / -1 / CC(=O)[C@@]2(O)CCC1C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Megestrol (acetate) / -1 / CC(=O)[C@@]2(OC(C)=O)CCC1C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Melfalan / -1 / O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl
Meprobamate / -1 / O=C(N)OCC(C)(COC(=O)N)CCC
Methantheline / -1 / CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12
Methocarbamol / -1 / NC(=O)OCC(O)COc1ccccc1OC
Methoxyflurane / -1 / ClC(Cl)C(F)(F)OC
Methscopolamine / -1 / OC[C@H](c1ccccc1)C(=O)OC2CC3C4OC4C(C2)[N+]3(C)C
Methsuximide / -1 / CC1(CC(=O)N(C)C1=O)c2ccccc2
Methylphenidate / -1 / O=C(OC)C(C1CCCCN1)c2ccccc2
Metoclopramide / -1 / Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC
Midodrine / -1 / COc1ccc(cc1C(O)CNC(=O)CN)OC
Mirtazapine / -1 / CN1CC2N(CC1)c4ncccc4Cc3ccccc23
Modafinil / -1 / O=S(CC(N)=O)C(c1ccccc1)c2ccccc2
Montelukast / -1 / CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC(=O)O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3
Moricizine / -1 / O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4
Morphine / -1 / Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Nadolol / -1 / CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12
Nalbuphine / -1 / Oc1ccc2C[C@H]4[N@](CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@]45O)CC6CCC6
Naloxone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CC[N@@]2CC=C)c34
Nefazodone / -1 / Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4
Nifedipine / -1 / CC(N2)=C(C(OC)=O)C(C(C(OC)=O)=C2C)C1=CC=CC=C1[N+]([O-])=O
Nitroglycerin / -1 / O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-]
Olanzapine / -1 / CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23
Oxaprozin / -1 / OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3
Oxcarbazepine / -1 / NC(=O)N3c1ccccc1C(=O)Cc2ccccc23
Oxycodone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CC[N@@]2C)c34
Paramethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Pecazine / -1 / CN1CCCC(C1)CN2c4ccccc4Sc3ccccc23
Penbutolol / -1 / CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2
Phenelzine / -1 / NNCCc1ccccc1
Phensuximide / -1 / O=C1C(CC(=O)N1C)c2ccccc2
Phentolamine / -1 / Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3
Phenylbutazone / -1 / O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2
Phenytoin / -1 / O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
Pilocarpine / -1 / Cn2cncc2C[C@H]1COC(=O)[C@H]1CC
Pimozide / -1 / Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5
Probenecid / -1 / O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O
Procarazine / -1 / CC(C)NC(=O)c1ccc(CNNC)cc1
Procyclidine / -1 / OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
Promazine / -1 / CN(C)CCCN1c3ccccc3Sc2ccccc12
Propantheline / -1 / CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C
Pyrantel / -1 / CN2CCCN=C2/C=C/c1cccs1
Quazepam / -1 / Fc3ccccc3C2=NCC(=S)N(CC(F)(F)F)c1ccc(Cl)cc12
Quinidine / -1 / COc1cc2c(cc1)nccc2[C@H](O)C4CC3CCN4CC3C=C
Rifampin / -1 / CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O
Risperidone / -1 / FC3=CC1=C(C=C3)C(C2CCN(CCC4=C(C)N=C5N(CCCC5)C4=O)CC2)=NO1
Ropinirole / -1 / CCCN(CCC)CCc1cccc2NC(=O)Cc12
Salbutamol / -1 / OCc1cc(ccc1O)C(O)CNC(C)(C)C
Salmeterol / -1 / OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
Sertraline / -1 / Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23
Sotalol / -1 / O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C
Sulfinpyrazone / -1 / O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3
Tegafur / -1 / FC1=CN(C(=O)NC1=O)C2CCCO2
Terpin / -1 / C[C@@]1(O)CC[C@@H](CC1)C(C)(C)O
Tolbutamide / -1 / Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC
Tranylcypromine / -1 / N[C@@H]2C[C@H]2c1ccccc1
Trazodone / -1 / Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O
Trimipramine / -1 / CN(C)CC(C)CN2c3ccccc3CCc1ccccc12
Valproic acid / -1 / CCCC(CCC)C(=O)O
Vancomycin / -1 / O=C(O)[C@@H]%10NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c7ccc(Oc5cc6cc(Oc1ccc(cc1Cl)[C@H]2O)c5OC4OC(CO)C(O)C(O)C4OC3CC(C)(N)C(O)C(C)O3)c(Cl)c7)c8ccc(O)c(c8)c9c(O)cc(O)cc9%10
Venlafaxine / -1 / OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2
Verapamil / -1 / COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C
Wytensin / -1 / Clc1cccc(Cl)c1/C=N/NC(=N)N
Zafirlukast / -1 / Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5
Zaleplon / -1 / CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N
Zileuton / -1 / NC(=O)N(O)C(C)c1cc2ccccc2s1
Zonisamide / -1 / NS(=O)(=O)Cc2noc1ccccc12
Zopiclone / -1 / CN1CCN(CC1)C(=O)OC4c2nccnc2C(=O)N4c3ccc(Cl)cn3
bupirimate / 1 / O=S(OC1=NC(NCC)=NC(C)=C1CCCC)(N(C)C)=O
dimethirimol / 1 / OC1=NC(N(C)C)=NC(C)=C1CCCC
ethirimol / 1 / OC1=NC(NCC)=NC(C)=C1CCCC
cyprodinil / 1 / CC1=CC(C3CC3)=NC(NC2=CC=CC=C2)=N1
mepanipyrim / 1 / CC#CC1=CC(C)=NC(NC2=CC=CC=C2)=N1
pyrimethanil / 1 / CC1=CC(C)=NC(NC2=CC=CC=C2)=N1
kasugamycin / 1 / N=C(C(O)=O)N[C@@H]1[C@@H](C)O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](N)C1
quinoxyfen / 1 / FC1=CC=C(OC3=C2C(Cl)=CC(Cl)=CC2=NC=C3)C=C1
triforine / 1 / ClC(C(NC=O)N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)(Cl)Cl
pyrifenox / 1 / CO\N=C(C2=CC=C(Cl)C=C2Cl)/CC1=CC=CN=C1
fenarimol / 1 / ClC2=CC=C(C=C2)C(C3=CN=CN=C3)(O)C1=CC=CC=C1Cl
nuarimol / 1 / FC2=CC=C(C=C2)C(C3=CN=CN=C3)(O)C1=CC=CC=C1Cl
imazalil / 1 / ClC1=CC=C(C(OCC=C)CN2C=CN=C2)C(Cl)=C1
oxpoconazole / 1 / O=C(N2C(C)(CCCc1ccc(Cl)cc1)OCC2(C)C)n3ccnc3
pefurazoate / 1 / CCC(N(CC2=CC=CO2)C(N1C=CN=C1)=O)C(OCCCC=C)=O
prochloraz / 1 / O=C(N2C=CN=C2)N(CCC)CCOC1=C(Cl)C=C(Cl)C=C1Cl
triflumizole / 1 / CCCOC/C(N2C=CN=C2)=N\C1=CC=C(Cl)C=C1C(F)(F)F
azaconazole / 1 / ClC1=CC=C(C2(CN3N=CN=C3)OCCO2)C(Cl)=C1
bitertanol / 1 / CC(C)(C)C(O)C(OC2=CC=C(C3=CC=CC=C3)C=C2)N1N=CN=C1
bromuconazole / 1 / ClC1=CC=C(C2(CN3N=CN=C3)OCC(Br)C2)C(Cl)=C1
cyproconazole / 1 / CC(C2CC2)C(O)(C3=CC=C(Cl)C=C3)CN1N=CN=C1
difenoconazole / 1 / CC1OC(CN2N=CN=C2)(C3=CC=C(OC4=CC=C(Cl)C=C4)C=C3Cl)OC1
diniconazole / 1 / CC(C)(C)C(O)\C(N2N=CN=C2)=C/C1=CC=C(Cl)C=C1Cl
epoxiconazole / 1 / FC1=CC=C(C3(C(C4=CC=CC=C4Cl)O3)CN2N=CN=C2)C=C1
etaconazole / 1 / CCC1OC(CN2N=CN=C2)(C3=CC=C(Cl)C=C3Cl)OC1
fenbuconazole / 1 / N#CC(CN2N=CN=C2)(C3=CC=CC=C3)CCC1=CC=C(Cl)C=C1
fluquinconazole / 1 / O=C1N(C4=CC=C(Cl)C=C4Cl)C(N3N=CN=C3)=NC2=C1C=C(F)C=C2
flusilazole / 1 / C[Si](C2=CC=C(F)C=C2)(C3=CC=C(F)C=C3)CN1N=CN=C1
flutriafol / 1 / FC2=CC=C(C=C2)C(CN3N=CN=C3)(O)C1=CC=CC=C1F
hexaconazole / 1 / CCCCC(O)(C2=CC=C(Cl)C=C2Cl)CN1N=CN=C1
imibenconazole / 1 / ClC1=CC=C(/N=C(SCC3=CC=C(Cl)C=C3)/CN2N=CN=C2)C(Cl)=C1
ipconazole / 1 / Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2
metconazole / 1 / CC1(C)C(CN2N=CN=C2)(O)C(CC3=CC=C(Cl)C=C3)CC1
myclobutanil / 1 / CCCCC(CN1N=CN=C1)(C2=CC=C(Cl)C=C2)C#N
penconazole / 1 / CCCC(C2=CC=C(Cl)C=C2Cl)CN1N=CN=C1
propiconazole / 1 / CCCC1OC(CN2N=CN=C2)(C3=CC=C(Cl)C=C3Cl)OC1
prothioconazole / 1 / S=C1N(CC(O)(C3(Cl)CC3)CC2=CC=CC=C2Cl)N=CN1
simeconazole / 1 / OC(C[Si](C)(C)C)(C2=CC=C(F)C=C2)CN1N=CN=C1
tebuconazole / 1 / CC(C)(C)C(O)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1
tetraconazole / 1 / FC(F)C(OCC(C2=CC=C(Cl)C=C2Cl)CN1N=CN=C1)(F)F
triadimefon / 1 / CC(C)(C)C(C(OC2=CC=C(Cl)C=C2)N1N=CN=C1)=O
triadimenol / 1 / CC(C)(C)C(O)C(OC2=CC=C(Cl)C=C2)N1N=CN=C1
triticonazole / 1 / CC(CC2)(C)C(CN3N=CN=C3)(O)/C2=C/C1=CC=C(Cl)C=C1
polyoxin / 1 / O[C@H]1[C@H](N(C(N2)=O)C=C(C(O)=O)C2=O)O[C@H]([C@H](NC([C@@H](N)[C@@H]([C@H](COC(N)=O)O)O)=O)C(O)=O)[C@H]1O
carpropamid / 1 / O=C(C1(CC)C(Cl)(Cl)C1C)NC(C2=CC=C(Cl)C=C2)C
diclocymet / 1 / CC(C)(C)C(C#N)C(N[C@@H](C1=CC=C(Cl)C=C1Cl)C)=O
fenoxanil / 1 / CC(OC1=CC=C(Cl)C=C1Cl)C(NC(C)(C#N)C(C)C)=O
metrafenone / 1 / O=C(C2=C(OC)C=CC(Br)=C2C)C1=C(C)C=C(OC)C(OC)=C1OC
Acetaminophen / -1 / Oc1ccc(NC(C)=O)cc1
Acetazolamide / -1 / O=S(N)(=O)c1nnc(NC(C)=O)s1
Amantadine / -1 / NC13CC2CC(CC(C1)C2)C3
Amineptine / -1 / O=C(O)CCCCCCNC2c3ccccc3CCc1ccccc12
Amiodarone / -1 / CCN(CC)CCOc1c(I)cc(cc1I)C(=O)c2c3ccccc3oc2CCCC
Amlodipine / -1 / O=C(OC)C1=C(C)NC(COCCN)=C(C1c2ccccc2Cl)C(=O)OCC
Aprobarbital / -1 / O=C1NC(=O)NC(=O)C1(CC=C)C(C)C
Artane / -1 / OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3
Aspirin / -1 / O=C(C)Oc1ccccc1C(=O)O
Atenolol / -1 / CC(C)NCC(O)COc1ccc(cc1)CC(N)=O
Azathioprine / -1 / O=[N+]([O-])c3ncn(C)c3Sc2ncnc1ncnc12
Baclofen / -1 / Clc1ccc(cc1)C(CN)CC(=O)O
Bromocriptine / -1 / Brc3nc2cccc1C4=C[C@H](CN(C)C4Cc3c12)C(=O)N[C@@]7(O[C@]6(O)N([C@@H](CC(C)C)C(=O)N5CCCC56)C7=O)C(C)C
Buclizine / -1 / CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Buprenorphine / -1 / CC(C)(C)C(C)(O)[C@H]1C[C@]75CC[C@]1(OC)[C@@H]2Oc4c(O)ccc3C[C@H]7[N@](CC[C@]25c34)CC6CC6
Busulfan / -1 / O=S(C)(=O)OCCCCOS(C)(=O)=O
Caffeine / -1 / O=C2c1n(C)cnc1N(C)C(=O)N2C
Cantil / -1 / O=C(OC1CCC[N+](C)(C)C1)C(O)(c2ccccc2)c3ccccc3
Carbachol / -1 / C[N+](C)(C)CCOC(=O)N
Carbamazepine / -1 / NC(=O)N2c3ccccc3C=Cc1ccccc12
Carisoprodol / -1 / O=C(NC(C)C)OCC(C)(COC(=O)N)CCC
Carvedilol / -1 / COc4ccccc4OCCNCC(O)COc2cccc3nc1ccccc1c23
Cefoperazone / -1 / O=C1C(=O)N(CC)CCN1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]5C(=O)N4C5SCC(CSc3nnnn3C)=C4C(=O)O
Chloral hydrate / -1 / ClC(Cl)(Cl)C(O)O
Chlorambucil / -1 / O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl
Chlordiazepoxide / -1 / Clc1ccc2N=C(C[N+]([O-])=C(c2c1)c3ccccc3)NC
Chlorpropamide / -1 / O=S(=O)(NC(=O)NCCC)c1ccc(Cl)cc1
Chlorthalidone / -1 / NS(=O)(=O)c1cc(ccc1Cl)C3(O)NC(=O)c2ccccc23
Clidinium / -1 / OC(c1ccccc1)(c2ccccc2)C(=O)OC4C[N+]3(C)CCC4CC3
Clobazam / -1 / Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c3ccccc3
Clomipramine / -1 / CN(C)CCCN2c3ccccc3CCc1ccc(Cl)cc12
Clonidine / -1 / Clc2cccc(Cl)c2\N=C1/NCCN1
Codeine / -1 / COc1ccc2C[C@H]5[N@@](C)CC[C@@]43C5C=C[C@H](O)[C@@H]4Oc1c23
Colchicine / -1 / CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12
Cromolyn / -1 / O=C(O)C=4Oc3cccc(OCC(O)COc1cccc2OC(=CC(=O)c12)C(=O)O)c3C(=O)C=4
Cyclosporin / -1 / CC(C\C=C\C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C)C(C)C
Cytarabine / -1 / NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O
Desipramine / -1 / CNCCCN2c3ccccc3CCc1ccccc12
Dexamethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)C[C@@H]3[C@]4(C)C[C@H](O)[C@@]2(F)[C@H]3CCC1=CC(=O)C=C[C@@]12C
Diazepam / -1 / Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3
Didanosine / -1 / O=C3NC=Nc2c3ncn2[C@H]1CC[C@@H](CO)O1
Dimercaprol / -1 / OCC(S)CS
Diphenhydramine / -1 / CN(C)CCOC(c1ccccc1)c2ccccc2
Diphenidol / -1 / OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3
Dobutamine / -1 / Oc2ccc(CCNC(C)CCc1ccc(O)cc1)cc2O
Dofetilide / -1 / CS(=O)(=O)Nc1ccc(cc1)CCN(C)CCOc2ccc(cc2)NS(C)(=O)=O
Dopamine / -1 / Oc1ccc(CCN)cc1O
Doxazosin / -1 / COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4
Doxepin / -1 / CN(C)CC\C=C1/c3ccccc3OCc2ccccc12
Doxorubicin / -1 / OCC(=O)[C@@]4(O)CC(OC1C[C@@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
Dronabinol / -1 / CCCCCc3cc2OC(C)(C)C1CCC(C)=CC1c2c(O)c3
Efavirenz / -1 / FC(F)(F)[C@@]3(C#CC1CC1)OC(=O)Nc2ccc(Cl)cc23
Epinephrine / -1 / Oc1ccc(cc1O)[C@@H](O)CNC
Eprosartan / -1 / OC(=O)C(/Cc1cccs1)=C/c3cnc(CCCC)n3Cc2ccc(cc2)C(=O)O
Ergotamine / -1 / CN2C[C@@H](C=C1c3cccc4ncc(CC12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCCC67)C8=O
Estazolam / -1 / Clc2cc3C(=NCc1nncn1c3cc2)c4ccccc4
Ethosuximide / -1 / CC1(CC)CC(=O)NC1=O
Etoposide / -1 / COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2C(OC3OC4COC(C)OC4C(O)C3O)C6COC(=O)[C@H]56
Felbamate / -1 / NC(=O)OCC(COC(N)=O)c1ccccc1
Fentanyl / -1 / CCC(=O)N(C2CCN(CCc1ccccc1)CC2)c3ccccc3
Fexofenadine / -1 / O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
Flecainide / -1 / FC(F)(F)COc2cc(C(=O)NCC1CCCCN1)c(OCC(F)(F)F)cc2
Flunarizine / -1 / Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)C/C=C/c4ccccc4
Flunisolide / -1 / OCC(=O)[C@@]54OC(C)(C)O[C@@H]5CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Fluoxetine / -1 / FC(F)(F)c2ccc(OC(CCNC)c1ccccc1)cc2
Fluticasone propionate / -1 / O=C(SCF)[C@@]4(OC(=O)CC)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]2(F)[C@@H](O)C[C@@]34C
Fluvoxamine / -1 / FC(F)(F)c1ccc(cc1)C(\CCCCOC)=N\OCCN
Gabapentin / -1 / NCC1(CC(=O)O)CCCCC1
Gestodene / -1 / O=C2CCC3C4CC[C@@]1(CC)C(C=C[C@@]1(O)C#C)C4CCC3=C2
Glutethimide / -1 / CCC1(CCC(=O)NC1=O)c2ccccc2
Glycopyrrolate / -1 / C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3
Halofantrine / -1 / CCCCN(CCCC)CCC(O)c2cc1c(Cl)cc(Cl)cc1c3cc(ccc23)C(F)(F)F
Halothane / -1 / BrC(Cl)C(F)(F)F
Hydromorphone / -1 / O=C1CCC3[C@H]2Cc5ccc(O)c4O[C@@H]1[C@]3(CC[N@@]2C)c45
Ibuprofen / -1 / CC(C(=O)O)c1ccc(CC(C)C)cc1
Idarubicin / -1 / CC(=O)[C@@]4(O)C[C@H](OC1CC(N)C(O)C(C)O1)c5c(O)c3C(=O)c2ccccc2C(=O)c3c(O)c5C4
Indapamide / -1 / NS(=O)(=O)c1cc(ccc1Cl)C(=O)NN2c3ccccc3CC2C
Indomethacin / -1 / Clc1ccc(cc1)C(=O)n3c2ccc(cc2c(CC(=O)O)c3C)OC
Isoetharine / -1 / Oc1ccc(cc1O)C(O)C(CC)NC(C)C
Ketamine / -1 / CNC1(CCCCC1=O)c2ccccc2Cl
Labetalol / -1 / O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2
Lacidipine / -1 / CC(N2)=C(C(OCC)=O)C(C(C(OCC)=O)=C2C)C(C=CC=C1)=C1/C=C/C(OC(C)(C)C)=O
Leflunomide / -1 / Cc2oncc2C(=O)Nc1ccc(cc1)C(F)(F)F
Leuprorelin / -1 / O=C(NCC)[C@@H]6CCCN6C(=O)C(N)CCCNC(=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc3cnc2ccccc23)NC(=O)C(Cc4cncn4)NC(=O)C5CCC(=O)N5
Levodopa / -1 / Oc1ccc(C[C@H](N)C(=O)O)cc1O
Lidocaine / -1 / O=C(Nc1c(C)cccc1C)CN(CC)CC
Loratadine / -1 / Clc3cc4CCc1cccnc1C(=C2/CCN(CC2)C(=O)OCC)\c4cc3
Loxapine / -1 / CN1CCN(CC1)C3=Nc4ccccc4Oc2ccc(Cl)cc23
Meclizine / -1 / Cc1cccc(c1)CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccccc4
Medroxyprogesterone / -1 / CC(=O)[C@@]2(O)CCC1C3C[C@H](C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Megestrol (acetate) / -1 / CC(=O)[C@@]2(OC(C)=O)CCC1C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
Melfalan / -1 / O=C(O)[C@@H](N)Cc1ccc(cc1)N(CCCl)CCCl
Meprobamate / -1 / O=C(N)OCC(C)(COC(=O)N)CCC
Methantheline / -1 / CC[N+](C)(CC)CCOC(=O)C1c3ccccc3Oc2ccccc12
Methocarbamol / -1 / NC(=O)OCC(O)COc1ccccc1OC
Methoxyflurane / -1 / ClC(Cl)C(F)(F)OC
Methscopolamine / -1 / OC[C@H](c1ccccc1)C(=O)OC2CC3C4OC4C(C2)[N+]3(C)C
Methsuximide / -1 / CC1(CC(=O)N(C)C1=O)c2ccccc2
Methylphenidate / -1 / O=C(OC)C(C1CCCCN1)c2ccccc2
Metoclopramide / -1 / Nc1cc(OC)c(cc1Cl)C(=O)NCCN(CC)CC
Midodrine / -1 / COc1ccc(cc1C(O)CNC(=O)CN)OC
Mirtazapine / -1 / CN1CC2N(CC1)c4ncccc4Cc3ccccc23
Modafinil / -1 / O=S(CC(N)=O)C(c1ccccc1)c2ccccc2
Montelukast / -1 / CC(C)(O)c5ccccc5CC[C@@H](SCC1(CC(=O)O)CC1)c2cccc(c2)/C=C/c3ccc4ccc(Cl)cc4n3
Moricizine / -1 / O=C(OCC)Nc1cc2N(c3ccccc3Sc2cc1)C(=O)CCN4CCOCC4
Morphine / -1 / Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Nadolol / -1 / CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12
Nalbuphine / -1 / Oc1ccc2C[C@H]4[N@](CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@]45O)CC6CCC6
Naloxone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CC[N@@]2CC=C)c34
Nefazodone / -1 / Clc1cccc(c1)N4CCN(CCCN3N=C(CC)N(CCOc2ccccc2)C3=O)CC4
Nifedipine / -1 / CC(N2)=C(C(OC)=O)C(C(C(OC)=O)=C2C)C1=CC=CC=C1[N+]([O-])=O
Nitroglycerin / -1 / O=[N+]([O-])OC(CO[N+]([O-])=O)CO[N+](=O)[O-]
Olanzapine / -1 / CN1CCN(CC1)C2=Nc4ccccc4Nc3sc(C)cc23
Oxaprozin / -1 / OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3
Oxcarbazepine / -1 / NC(=O)N3c1ccccc1C(=O)Cc2ccccc23
Oxycodone / -1 / O=C1CC[C@@]5(O)[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CC[N@@]2C)c34
Paramethasone / -1 / OCC(=O)[C@@]4(O)[C@H](C)CC3C2C[C@H](F)C1=CC(=O)C=C[C@]1(C)C2[C@@H](O)C[C@@]34C
Pecazine / -1 / CN1CCCC(C1)CN2c4ccccc4Sc3ccccc23
Penbutolol / -1 / CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2
Phenelzine / -1 / NNCCc1ccccc1
Phensuximide / -1 / O=C1C(CC(=O)N1C)c2ccccc2
Phentolamine / -1 / Cc1ccc(cc1)N(CC2=NCCN2)c3cc(O)ccc3
Phenylbutazone / -1 / O=C3C(CCCC)C(=O)N(c1ccccc1)N3c2ccccc2
Phenytoin / -1 / O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
Pilocarpine / -1 / Cn2cncc2C[C@H]1COC(=O)[C@H]1CC
Pimozide / -1 / Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5
Probenecid / -1 / O=S(=O)(N(CCC)CCC)c1ccc(cc1)C(=O)O
Procarazine / -1 / CC(C)NC(=O)c1ccc(CNNC)cc1
Procyclidine / -1 / OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
Promazine / -1 / CN(C)CCCN1c3ccccc3Sc2ccccc12
Propantheline / -1 / CC(C)[N+](C)(CCOC(=O)C1c3ccccc3Oc2ccccc12)C(C)C
Pyrantel / -1 / CN2CCCN=C2/C=C/c1cccs1
Quazepam / -1 / Fc3ccccc3C2=NCC(=S)N(CC(F)(F)F)c1ccc(Cl)cc12
Quinidine / -1 / COc1cc2c(cc1)nccc2[C@H](O)C4CC3CCN4CC3C=C
Rifampin / -1 / CN1CCN(CC1)/N=C/c3c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc4c(C)c(O)c(c2O)c(c3O)c4C5=O
Risperidone / -1 / FC3=CC1=C(C=C3)C(C2CCN(CCC4=C(C)N=C5N(CCCC5)C4=O)CC2)=NO1
Ropinirole / -1 / CCCN(CCC)CCc1cccc2NC(=O)Cc12
Salbutamol / -1 / OCc1cc(ccc1O)C(O)CNC(C)(C)C
Salmeterol / -1 / OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
Sertraline / -1 / Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23
Sotalol / -1 / O=S(C)(=O)Nc1ccc(cc1)C(O)CNC(C)C
Sulfinpyrazone / -1 / O=C4C(CCS(=O)c1ccccc1)C(=O)N(c2ccccc2)N4c3ccccc3
Tegafur / -1 / FC1=CN(C(=O)NC1=O)C2CCCO2
Terpin / -1 / C[C@@]1(O)CC[C@@H](CC1)C(C)(C)O
Tolbutamide / -1 / Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCC
Tranylcypromine / -1 / N[C@@H]2C[C@H]2c1ccccc1
Trazodone / -1 / Clc1cccc(c1)N2CCN(CC2)CCCN3N=C4C=CC=CN4C3=O
Trimipramine / -1 / CN(C)CC(C)CN2c3ccccc3CCc1ccccc12
Valproic acid / -1 / CCCC(CCC)C(=O)O
Vancomycin / -1 / O=C(O)[C@@H]%10NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]6NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c7ccc(Oc5cc6cc(Oc1ccc(cc1Cl)[C@H]2O)c5OC4OC(CO)C(O)C(O)C4OC3CC(C)(N)C(O)C(C)O3)c(Cl)c7)c8ccc(O)c(c8)c9c(O)cc(O)cc9%10
Venlafaxine / -1 / OC1(CCCCC1)C(CN(C)C)c2ccc(OC)cc2
Verapamil / -1 / COc1cc(ccc1OC)C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C
Wytensin / -1 / Clc1cccc(Cl)c1/C=N/NC(=N)N
Zafirlukast / -1 / Cc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5
Zaleplon / -1 / CC(=O)N(CC)c1cccc(c1)c2ccnc3c(cnn23)C#N
Zileuton / -1 / NC(=O)N(O)C(C)c1cc2ccccc2s1
Zonisamide / -1 / NS(=O)(=O)Cc2noc1ccccc12
Zopiclone / -1 / CN1CCN(CC1)C(=O)OC4c2nccnc2C(=O)N4c3ccc(Cl)cn3
FARR - this code is referred to the observed fungicidal activity with a defined resistance risk