MonarchInit/C3PO huggingface dataset:
Compound: thiomalate(3-)
SMILES: [O-]C(=O)CC([S-])C([O-])=O
Compound: mecarbam
SMILES: CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
Compound: (R)-thiomalic acid
SMILES: OC(=O)C[C@@H](S)C(O)=O
Compound: Copalliferol B
SMILES: Oc1ccc(cc1)[C@H]1[C@@H]2[C@@H](c3cc(O)cc(O)c13)C(c1ccc(O)cc1)=C([C@H](c1ccc(O)cc1)c1c(O)cc(O)cc21)c1cc(O)cc(O)c1
Compound: (S)-thiomalic acid
SMILES: OC(=O)C[C@H](S)C(O)=O
Compound: methamidophos
SMILES: COP(N)(=O)SC
Compound: aurothiomalic acid
SMILES: OC(=O)CC(S[Au])C(O)=O
Compound: 5-methoxy-1,3,4-thiadiazol-2(3H)-one
SMILES: COc1n[nH]c(=O)s1
Compound: mevinphos
SMILES: COC(=O)C=C(C)OP(=O)(OC)OC
Compound: methyl 3-hydroxybut-2-enoate
SMILES: COC(=O)C=C(C)O
Compound: (S)-aurothiomalic acid
SMILES: OC(=O)C[C@H](S[Au])C(O)=O
Compound: monocrotophos
SMILES: CNC(=O)\C=C(/C)OP(=O)(OC)OC
Compound: naled
SMILES: COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
Compound: omethoate
SMILES: CNC(=O)CSP(=O)(OC)OC
Compound: N-methyl-2-sulfanylacetamide
SMILES: CNC(=O)CS
Compound: 1,3-benzodioxole
SMILES: C1Oc2ccccc2O1
Compound: 3H-1,2-benzodioxole
SMILES: C1OOc2ccccc12
Compound: oxydemeton-methyl
SMILES: CCS(=O)CCSP(=O)(OC)OC
Compound: 2-(ethanesulfinyl)ethanol
SMILES: CCS(=O)CCO
Compound: tribufos
SMILES: CCCCSP(=O)(SCCCC)SCCCC
Compound: isoflavan
SMILES: C1Oc2ccccc2CC1c1ccccc1
Compound: parathion-methyl
SMILES: COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O
Compound: taxifolin
SMILES: OC1C(Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1
Compound: coprine
SMILES: N[C@@H](CCC(=O)NC1(O)CC1)C(O)=O
Compound: ethyl hydroxy(phenyl)acetate
SMILES: CCOC(=O)C(O)c1ccccc1
Compound: benzene-1,2,3-triamine
SMILES: Nc1cccc(N)c1N
Compound: benzene-1,3,5-triamine
SMILES: Nc1cc(N)cc(N)c1
Compound: isocoumarin
SMILES: O=c1occc2ccccc12
Compound: mellein
SMILES: CC1Cc2cccc(O)c2C(=O)O1
Compound: phorate
SMILES: CCOP(=S)(OCC)SCSCC
Compound: phosmet
SMILES: COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
Compound: 1,3,5,7-tetrazocane
SMILES: C1NCNCNCN1
Compound: 11-(perfluorooctyl)undecyl dimorpholinophosphinate
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOP(=O)(N1CCOCC1)N1CCOCC1
Compound: flubendiamide
SMILES: Cc1cc(ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F
Compound: phthalamide
SMILES: NC(=O)c1ccccc1C(N)=O
Compound: isophthalamide
SMILES: NC(=O)c1cccc(c1)C(N)=O
Compound: terephthalamide
SMILES: NC(=O)c1ccc(cc1)C(N)=O
Compound: perflubron
SMILES: FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Compound: bis(perfluorobutyl)ethene
SMILES: [H]C(=C([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: 6-chloro-3-(hydroxymethyl)benzoxazolin-2-one
SMILES: OCn1c2ccc(Cl)cc2oc1=O
Compound: N-acetyl-L-tyrosylglycylglycine
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(O)=O
Compound: phoxim
SMILES: CCOP(=S)(OCC)O\N=C(\C#N)c1ccccc1
Compound: benzoximate
SMILES: CCON=C(OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC
Compound: 1,3-benzoxazole
SMILES: c1ccc2ocnc2c1
Compound: benzoic anhydride
SMILES: O=C(OC(=O)c1ccccc1)c1ccccc1
Compound: N-(hydroxymethyl)phthalimide
SMILES: OCN1C(=O)c2ccccc2C1=O
Compound: phthalimide
SMILES: O=C1NC(=O)c2ccccc12
Compound: Coriamyrtin
SMILES: CC(=C)[C@@H]1[C@@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)[C@H]1C(=O)O2
Compound: thioquinox
SMILES: S=c1sc2nc3ccccc3nc2s1
Compound: tetrafluoromethane
SMILES: FC(F)(F)F
Compound: perfluorooctane
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: 11-(perfluorohexyl)undecyl dimorpholinophosphinate
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOP(=O)(N1CCOCC1)N1CCOCC1
Compound: (ethylsulfanyl)methanethiol
SMILES: CCSCS
Compound: Coriariin A
SMILES: Oc1cc(cc(O)c1O)C(=O)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(Oc3c(O)c(O)c(O)cc3C(=O)O[C@@H]3O[C@@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)O[C@H]4[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Compound: phosphamidon
SMILES: CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC
Compound: decanamide
SMILES: CCCCCCCCCC(N)=O
Compound: N,N-diethyl-3-hydroxybut-2-enamide
SMILES: [H]C(=C(C)O)C(=O)N(CC)CC
Compound: corilagin
SMILES: O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@@H](O2)OC(=O)c1cc(O)c(O)c(O)c1
Compound: 2-(perfluorohexyl)ethyl dimorpholinophosphinate
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(N1CCOCC1)N1CCOCC1
Compound: 2-(perfluorooctyl)ethyl dimorpholinophosphinate
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(N1CCOCC1)N1CCOCC1
Compound: (hydroxyimino)(phenyl)acetonitrile
SMILES: O\N=C(\C#N)c1ccccc1
Compound: pirimiphos-methyl
SMILES: CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
Compound: 2-diethylamino-6-methylpyrimidin-4(1H)-one
SMILES: CCN(CC)c1nc(=O)cc(C)[nH]1
Compound: profenofos
SMILES: CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
Compound: phenoxyacetate
SMILES: [O-]C(=O)COc1ccccc1
Compound: perfluoroheptane
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: perfluorodecalin
SMILES: FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
Compound: Cornudentanone
SMILES: CCCCCCCCCCCC(CC1=CC(=O)C=C(OC)C1=O)OC(C)=O
Compound: perfluorotripropylamine
SMILES: FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Compound: perfluorodecane
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: 4-bromo-2-chlorophenol
SMILES: Oc1ccc(Br)cc1Cl
Compound: decalin
SMILES: C1CCC2CCCCC2C1
Compound: perfluorotributylamine
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: 3-chlorophenol
SMILES: Oc1cccc(Cl)c1
Compound: propaphos
SMILES: CCCOP(=O)(OCCC)Oc1ccc(SC)cc1
Compound: perfluoro-N-methyldecahydroisoquinoline
SMILES: FC(F)(F)N1C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
Compound: Coronarian
SMILES: O[C@H]1O[C@H](COC(=O)CC[N+]([O-])=O)[C@@H](O)[C@H](O)[C@H]1OC(=O)CC[N+]([O-])=O
Compound: cis-decalin
SMILES: [H][C@@]12CCCC[C@]1([H])CCCC2
Compound: 4-(methylsulfanyl)phenol
SMILES: CSc1ccc(O)cc1
Compound: trans-decalin
SMILES: [H][C@@]12CCCC[C@@]1([H])CCCC2
Compound: propetamphos
SMILES: CCNP(=S)(OC)O\C(C)=C\C(=O)OC(C)C
Compound: perfluoro-N-(4-methylcyclohexyl)piperidine
SMILES: FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
Compound: tetrafluoroethene
SMILES: FC(F)=C(F)F
Compound: isopropyl 3-hydroxybut-2-enoate
SMILES: CC(C)OC(=O)C=C(C)O
Compound: (-)-coronaridine
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC=C5)NC42)[H])CC)[H])C(OC)=O
Compound: 3-hydroxybut-2-enoic acid
SMILES: CC(O)=CC(O)=O
Compound: 1,8-dichloro-perfluorooctane
SMILES: FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
Compound: prothiofos
SMILES: CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl
Compound: (R)-desflurane
SMILES: FC(F)O[C@H](F)C(F)(F)F
Compound: (S)-desflurane
SMILES: FC(F)O[C@@H](F)C(F)(F)F
Compound: pyraclofos
SMILES: CCCSP(=O)(OCC)Oc1cnn(c1)-c1ccc(Cl)cc1
Compound: 1-(4-chlorophenyl)-1H-pyrazol-4-ol
SMILES: Oc1cnn(c1)-c1ccc(Cl)cc1
Compound: 1-phenylpyrazole
SMILES: c1ccc(cc1)-n1cccn1
Compound: Coronopilin
SMILES: C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)CC[C@@]12O
Compound: tripropylamine
SMILES: CCCN(CCC)CCC
Compound: pyridaphenthion
SMILES: CCOP(=S)(OCC)Oc1ccc(=O)n(n1)-c1ccccc1
Compound: diphenylmethane
SMILES: C(c1ccccc1)c1ccccc1
Compound: 6-hydroxy-2-phenylpyridazin-3-one
SMILES: Oc1ccc(=O)n(n1)-c1ccccc1
Compound: 1-phenyl-1,6-dihydropyridazine
SMILES: C1C=CC=NN1c1ccccc1
Compound: pyridalyl
SMILES: FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nc1
Compound: disodium tetraborate octahydrate
SMILES: [Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2
Compound: tetraborate(2-)
SMILES: [H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2
Compound: Corpaine
SMILES: COc1cc2CCN(C)[C@]3([C@@H](O)c4c(ccc5OCOc45)C3=O)c2cc1O
Compound: quinoxalin-2-ol
SMILES: Oc1cnc2ccccc2n1
Compound: disodium tetraborate
SMILES: [Na+].[Na+].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2
Compound: 2,3,5-trimethylphenyl methylcarbamate
SMILES: CNC(=O)Oc1cc(C)cc(C)c1C
Compound: 3,4,5-trimethylphenyl methylcarbamate
SMILES: CNC(=O)Oc1cc(C)c(C)c(C)c1
Compound: cyanotriphenylborate(1-)
SMILES: N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Compound: 3,4,5-trimethylphenol
SMILES: Cc1cc(O)cc(C)c1C
Compound: N-cyclohexylpiperidine
SMILES: C1CCC(CC1)N1CCCCC1
Compound: 4-(dimethylamino)benzenediazonium
SMILES: CN(C)c1ccc(cc1)[N+]#N
Compound: tetrafluoroborate(1-)
SMILES: F[B-](F)(F)F
Compound: tetrafluoroboric acid
SMILES: [H+].F[B-](F)(F)F
Compound: phenyl cyanate
SMILES: N#COc1ccccc1
Compound: potassium cyanate
SMILES: [K]OC#N
Compound: tributylamine
SMILES: CCCCN(CCCC)CCCC
Compound: trisodium borate
SMILES: [Na+].[Na+].[Na+].[O-]B([O-])[O-]
Compound: trilithium borate
SMILES: [Li+].[Li+].[Li+].[O-]B([O-])[O-]
Compound: tripotassium borate
SMILES: [K+].[K+].[K+].[O-]B([O-])[O-]
Compound: Ro 31-8220
SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12
Compound: trimethyl borate
SMILES: COB(OC)OC
Compound: triethyl borate
SMILES: CCOB(OCC)OCC
Compound: corticotropin
SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Compound: pelitinib
SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Compound: 6-(methylthio)-1,3,5-triazine-2,4-diamine
SMILES: CSc1nc(N)nc(N)n1
Compound: 2-methoxy-1,3,5-triazine
SMILES: COc1ncncn1
Compound: 6-methoxy-1,3,5-triazine-2,4-diamine
SMILES: COc1nc(N)nc(N)n1
Compound: 3-aminopropane-1-thiol
SMILES: NCCCS
Compound: aminopurvalanol
SMILES: CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1
Compound: antimony sodium thioglycollate
SMILES: [Na+].[O-]C(=O)CS[Sb]1OC(=O)CS1
Compound: sunitinib
SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Compound: amoscanate
SMILES: C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-]
Compound: sulfotep
SMILES: CCOP(=S)(OCC)OP(=S)(OCC)OCC
Compound: amocarzine
SMILES: C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1
Compound: dithiodiphosphoric acid
SMILES: OP(O)(=S)OP(O)(O)=S
Compound: sulprofos
SMILES: CCCSP(=S)(OCC)Oc1ccc(SC)cc1
Compound: (S)-albendazole S-oxide
SMILES: C=12C=CC(=CC1N=C(N2)NC(OC)=O)[S@](CCC)=O
Compound: tebupirimfos
SMILES: CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C
Compound: 2-tert-butylpyrimidin-5-ol
SMILES: CC(C)(C)c1ncc(O)cn1
Compound: (+)-chimonanthine
SMILES: [H][C@]12Nc3ccccc3[C@]1(CCN2C)[C@]12CCN(C)[C@@]1([H])Nc1ccccc21
Compound: temephos
SMILES: S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC
Compound: chimonanthine
SMILES: CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21
Compound: 4,4'-thiodiphenol
SMILES: Oc1ccc(Sc2ccc(O)cc2)cc1
Compound: diphenyl sulfide
SMILES: S(c1ccccc1)c1ccccc1
Compound: terbufos
SMILES: CCOP(=S)(OCC)SCSC(C)(C)C
Compound: 1-phenylethenol
SMILES: OC(=C)c1ccccc1
Compound: thiometon
SMILES: CCSCCSP(=S)(OC)OC
Compound: triazophos
SMILES: CCOP(=S)(OCC)Oc1ncn(n1)-c1ccccc1
Compound: calycanine
SMILES: c1ccc2c(c1)ncc1c3ccccc3ncc21
Compound: 1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-one
SMILES: O=c1ncn([nH]1)-c1ccccc1
Compound: 1-phenyl-1H-1,2,4-triazol-3-ol
SMILES: Oc1ncn(n1)-c1ccccc1
Compound: 1-phenyl-1H-1,2,4-triazole
SMILES: c1ccc(cc1)-n1cncn1
Compound: (-)-calycanthidine
SMILES: [H][C@@]12Nc3ccccc3[C@@]1(CCN2C)[C@@]12CCN(C)[C@]1([H])N(C)c1ccccc21
Compound: Cortisone acetate
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Compound: calycanthidine
SMILES: CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1N(C)c1ccccc21
Compound: meso-chimonanthine
SMILES: [H][C@@]12Nc3ccccc3[C@@]1(CCN2C)[C@]12CCN(C)[C@@]1([H])Nc1ccccc21
Compound: (-)-folicanthine
SMILES: [H][C@]12N(C)CC[C@]1(c1ccccc1N2C)[C@@]12CCN(C)[C@]1([H])N(C)c1ccccc21
Compound: (+)-folicanthine
SMILES: [H][C@@]12N(C)CC[C@@]1(c1ccccc1N2C)[C@]12CCN(C)[C@@]1([H])N(C)c1ccccc21
Compound: folicanthine
SMILES: CN1CCC2(C1N(C)c1ccccc21)C12CCN(C)C1N(C)c1ccccc21
Compound: durene
SMILES: Cc1cc(C)c(C)cc1C
Compound: Cortol
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO
Compound: 4-benzoylpyrazole
SMILES: O=C(c1ccccc1)c1cn[nH]c1
Compound: hydridoboron(2+)
SMILES: [B++][H]
Compound: hydridoboron(2.) (triplet)
SMILES: [B][H]
Compound: Cortolone
SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO
Compound: vamidothion
SMILES: CNC(=O)C(C)SCCSP(=O)(OC)OC
Compound: 1-naphthylborylene
SMILES: [B]c1cccc2ccccc12
Compound: 9-anthrylborylene
SMILES: [B]c1c2ccccc2cc2ccccc12
Compound: 1-anthroic acid
SMILES: OC(=O)c1cccc2cc3ccccc3cc12
Compound: 2-anthroic acid
SMILES: OC(=O)c1ccc2cc3ccccc3cc2c1
Compound: 2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide
SMILES: CNC(=O)C(C)SCCO
Compound: prehnitene
SMILES: Cc1ccc(C)c(C)c1C
Compound: pentamethylbenzene
SMILES: Cc1cc(C)c(C)c(C)c1C
Compound: (+)-Pimaric acid
SMILES: C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
Compound: costunolide
SMILES: C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
Compound: hexamethylbenzene
SMILES: Cc1c(C)c(C)c(C)c(C)c1C
Compound: perfluoroadamantane
SMILES: FC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(F)(C2(F)F)C3(F)F
Compound: perfluoro-1-methyladamantane
SMILES: FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C(F)(F)C(F)(C3(F)F)C1(F)F)C2(F)F
Compound: 1-methyladamantane
SMILES: CC12CC3CC(CC(C3)C1)C2
Compound: 2-(N-morpholino)ethanesulfonic acid
SMILES: OS(=O)(=O)CCN1CCOCC1
Compound: 2-(N-morpholino)ethanesulfonate
SMILES: [O-]S(=O)(=O)CCN1CCOCC1
Compound: perfluoro-1,3-dimethyladamantane
SMILES: FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(C(F)(F)F)(C3(F)F)C2(F)F
Compound: cosyntropin
SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=O
Compound: (R)-sec-butylbenzene
SMILES: CC[C@@H](C)c1ccccc1
Compound: (S)-sec-butylbenzene
SMILES: CC[C@H](C)c1ccccc1
Compound: perfluoro-N-ethylpiperidine
SMILES: FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
Compound: N-ethylpiperidine
SMILES: CCN1CCCCC1
Compound: Cotylenin F
SMILES: COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)\C3=C\[C@@]3(C)CCC(C(C)C)=C23)[C@H](O)[C@@H](O)[C@@H]1O[C@](C)(CO)[C@@H]1CO1
Compound: perfluoro-2-butyltetrahydrofuran
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
Compound: 2-butyltetrahydrofuran
SMILES: CCCCC1CCCO1
Compound: 2-perfluorobutyltetrahydrofuran
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1
Compound: coumaphos
SMILES: CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Compound: perfluoro-N-cyclohexylpyrrolidine
SMILES: FC1(F)N(C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
Compound: perfluoro-4-methylquinolizidine
SMILES: FC(F)(F)C1(F)N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)F
Compound: N-cyclohexylpyrrolidine
SMILES: C1CCCCC1N2CCCC2
Compound: 2,2'-piperazine-1,4-diylbisethanesulfonate
SMILES: [O-]S(=O)(=O)CCN1CCN(CC1)CCS([O-])(=O)=O
Compound: N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate
SMILES: [H][N+]([H])(CCS([O-])(=O)=O)C(CO)(CO)CO
Compound: Coumaphos anti-dimer
SMILES: CCOP(=S)(OCC)Oc1ccc2c(OC(=O)[C@]3(Cl)[C@@]4(C)c5ccc(OP(=S)(OCC)OCC)cc5OC(=O)[C@]4(Cl)[C@@]23C)c1
Compound: 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid
SMILES: OCCN(CCO)CCS(O)(=O)=O
Compound: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadecane
SMILES: C(CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC
Compound: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene
SMILES: [H]C(CCCCCCCCCC)=C([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate
SMILES: [H][N+](CCO)(CCO)CCS([O-])(=O)=O
Compound: 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
SMILES: OCCN(CCO)CCS([O-])(=O)=O
Compound: 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(1-)
SMILES: NC(=O)CN(CC(O)=O)CC([O-])=O
Compound: Coumaphos syn-dimer
SMILES: CCOP(=S)(OCC)Oc1ccc2c(OC(=O)[C@@]3(Cl)[C@@]4(C)c5ccc(OP(=S)(OCC)OCC)cc5OC(=O)[C@@]4(Cl)[C@@]23C)c1
Compound: 2,2'-[(2-amino-2-oxoethyl)imino]diacetate(2-)
SMILES: NC(=O)CN(CC([O-])=O)CC([O-])=O
Compound: 2,2'-[(2-azanidyl-2-oxoethyl)imino]diacetate(3-)
SMILES: [NH-]C(=O)CN(CC([O-])=O)CC([O-])=O
Compound: nitrilotriacetate(1-)
SMILES: OC(=O)CN(CC(O)=O)CC([O-])=O
Compound: 2,2'-[(carboxymethyl)imino]diacetate
SMILES: OC(=O)CN(CC([O-])=O)CC([O-])=O
Compound: 2,2',2''-ammoniotriacetate
SMILES: [H][N+](CC([O-])=O)(CC([O-])=O)CC([O-])=O
Compound: nitrilotriacetate(.4-)
SMILES: [O-]C(=O)C[N-](CC([O-])=O)CC([O-])=O
Compound: 10-(perfluorobutyl)decyl phosphatidylcholine
SMILES: C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: N-(2-acetamido)-2-aminoethanesulfonic acid
SMILES: NC(=O)CNCCS(O)(=O)=O
Compound: 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate
SMILES: [H][N+]([H])(CCS([O-])(=O)=O)CC(N)=O
Compound: N-tris(hydroxymethyl)methylglycine
SMILES: OCC(CO)(CO)NCC(O)=O
Compound: [bis(2-hydroxyethyl)ammonio]acetate
SMILES: [H][N+](CCO)(CCO)CC([O-])=O
Compound: [bis(2-hydroxyethyl)amino]acetate
SMILES: OCCN(CCO)CC([O-])=O
Compound: cis-chlordane
SMILES: [H][C@@]12C[C@@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
Compound: trans-chlordane
SMILES: [H][C@@]12C[C@H](Cl)[C@@H](Cl)[C@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
Compound: coumermycin A1
SMILES: CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
Compound: CZC8004
SMILES: NCc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Compound: 6-carboxyfluorescein
SMILES: OC(=O)c1ccc2C(=O)OC3(c4ccc(O)cc4Oc4cc(O)ccc34)c2c1
Compound: 3-(N-morpholino)propanesulfonate
SMILES: [O-]S(=O)(=O)CCCN1CCOCC1
Compound: 3-(N-morpholiniumyl)propanesulfonate
SMILES: [H][N+]1(CCCS([O-])(=O)=O)CCOCC1
Compound: eosin b
SMILES: [Na+].[Na+].[O-]c1c(Br)c2Oc3c(Br)c([O-])c(cc3C3(OC(=O)c4ccccc34)c2cc1[N+]([O-])=O)[N+]([O-])=O
Compound: bromoeosin
SMILES: Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3ccccc23)c1Br
Compound: linkable PD173955 analogue
SMILES: Cn1c2nc(Nc3cccc(CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Compound: coumestrol
SMILES: Oc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
Compound: linkable vandetanib analogue
SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCN
Compound: linkable sunitinib analogue
SMILES: Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCCN
Compound: linkable staurosporine analogue
SMILES: CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)NC(=O)CCOCCOCCOCCOCN
Compound: linkable imatinib analogue
SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(CCN)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
Compound: linkable gefitinib analogue
SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN
Compound: linkable pelitinib analogue
SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCN
Compound: linkable Ro 320-1195 analogue
SMILES: NCC(O)COc1cccc(c1)C(=O)c1cnn(-c2ccc(F)cc2)c1N
Compound: acrinathrin
SMILES: CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: delta-hexachlorocyclohexane
SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]1Cl
Compound: alpha-hexachlorocyclohexane
SMILES: Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
Compound: (+)-trans-chrysanthemic acid
SMILES: CC(C)=C[C@@H]1[C@@H](C(O)=O)C1(C)C
Compound: (-)-trans-chrysanthemic acid
SMILES: CC(C)=C[C@H]1[C@H](C(O)=O)C1(C)C
Compound: (+)-cis-chrysanthemic acid
SMILES: CC(C)=C[C@H]1[C@@H](C(O)=O)C1(C)C
Compound: (-)-cis-chrysanthemic acid
SMILES: CC(C)=C[C@@H]1[C@H](C(O)=O)C1(C)C
Compound: pyrene
SMILES: C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1
Compound: pyrethrolone
SMILES: [H]C(CC1=C(C)C(O)CC1=O)=C([H])C=C
Compound: (E)-pyrethrolone
SMILES: CC1=C(C\C=C\C=C)C(=O)CC1O
Compound: Crenatine A
SMILES: CC(C)C[C@H](N(C)C)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)\C=C/NC(=O)[C@H](Cc2ccccc2)NC1=O)c1ccccc1
Compound: (Z)-pyrethrolone
SMILES: CC1=C(C\C=C/C=C)C(=O)CC1O
Compound: (Z,S)-pyrethrolone
SMILES: CC1=C(C\C=C/C=C)C(=O)C[C@@H]1O
Compound: bosutinib
SMILES: COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Compound: jasmolin I
SMILES: CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
Compound: jasmolin II
SMILES: CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](\C=C(/C)C(=O)OC)C1(C)C
Compound: (+)-trans-(S)-allethrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (+)-trans-allethrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (+)-trans-(R)-allethrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (-)-trans-allethrin
SMILES: CC(C)=C[C@H]1[C@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (-)-trans-(R)-allethrin
SMILES: CC(C)=C[C@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (-)-trans-(S)-allethrin
SMILES: CC(C)=C[C@H]1[C@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (+)-cis-allethrin
SMILES: CC(C)=C[C@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (+)-cis-(S)-allethrin
SMILES: CC(C)=C[C@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (+)-cis-(R)-allethrin
SMILES: CC(C)=C[C@H]1[C@@H](C(=O)O[C@@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (-)-cis-allethrin
SMILES: CC(C)=C[C@@H]1[C@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: (-)-cis-(S)-allethrin
SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: Crinamine
SMILES: CO[C@@H]1C[C@@H]2N3C[C@H](O)[C@@]2(C=C1)c1cc2OCOc2cc1C3
Compound: (-)-cis-(R)-allethrin
SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2CC(=O)C(CC=C)=C2C)C1(C)C
Compound: trichostatin C
SMILES: C[C@H](\C=C(C)\C=C\C(=O)NO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C
Compound: trichostatin B
SMILES: C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO[Fe](ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C)ONC(=O)\C=C\C(C)=C\[C@@H](C)C(=O)c1ccc(cc1)N(C)C
Compound: Crinasiadine
SMILES: O=c1[nH]c2ccccc2c2cc3OCOc3cc12
Compound: 4-oxopentanoate
SMILES: CC(=O)CCC([O-])=O
Compound: mercury difulminate
SMILES: [Hg](C#[N+][O-])C#[N+][O-]
Compound: 5-oxopentanoic acid
SMILES: [H]C(=O)CCCC(O)=O
Compound: monochlorocyclohexane
SMILES: ClC1CCCCC1
Compound: trichostatic acid
SMILES: CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Compound: (R)-trichostatic acid
SMILES: C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Compound: (S)-trichostatic acid
SMILES: C[C@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O
Compound: Crinasiatine
SMILES: Oc1ccc(CC2COc3cc4c5ccccc5[nH]c(=O)c4cc3O2)cc1
Compound: trichostatin D
SMILES: C[C@H](\C=C(C)\C=C\C(=O)NO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)c1ccc(cc1)N(C)C
Compound: 1,1,1-trichloro-2,2-diphenylethane
SMILES: ClC(Cl)(Cl)C(c1ccccc1)c1ccccc1
Compound: (R)-nicotine
SMILES: CN1CCC[C@@H]1c1cccnc1
Compound: acetamiprid
SMILES: CN(Cc1ccc(Cl)nc1)C(C)=NC#N
Compound: (E)-acetamiprid
SMILES: CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N
Compound: (Z)-acetamiprid
SMILES: CN(Cc1ccc(Cl)nc1)C(\C)=N/C#N
Compound: (E)-imidacloprid
SMILES: [O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1
Compound: (Z)-imidacloprid
SMILES: [O-][N+](=O)\N=C1\NCCN1Cc1ccc(Cl)nc1
Compound: Cristacarpin
SMILES: COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Compound: (E)-nitenpyram
SMILES: CCN(Cc1ccc(Cl)nc1)C(\NC)=C\[N+]([O-])=O
Compound: nitenpyram
SMILES: [H]C(=C(NC)N(CC)Cc1ccc(Cl)nc1)[N+]([O-])=O
Compound: 2-chloropyridine
SMILES: Clc1ccccn1
Compound: thiacloprid
SMILES: Clc1ccc(CN2CCSC2=NC#N)cn1
Compound: (Z)-thiacloprid
SMILES: Clc1ccc(CN2CCS\C2=N/C#N)cn1
Compound: (E)-clothianidin
SMILES: CN\C(NCc1cnc(Cl)s1)=N/[N+]([O-])=O
Compound: clothianidin
SMILES: CNC(NCc1cnc(Cl)s1)=N[N+]([O-])=O
Compound: crocetin
SMILES: CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(O)=O
Compound: 1-nitroguanidine
SMILES: NC(=N)N[N+]([O-])=O
Compound: 2-nitroguanidine
SMILES: NC(N)=N[N+]([O-])=O
Compound: dinotefuran
SMILES: CNC(NCC1CCOC1)=N[N+]([O-])=O
Compound: (E)-dinotefuran
SMILES: CN\C(NCC1CCOC1)=N/[N+]([O-])=O
Compound: thiamethoxam
SMILES: CN1COCN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O
Compound: (E)-thiamethoxam
SMILES: CN1COCN(Cc2cnc(Cl)s2)\C1=N\[N+]([O-])=O
Compound: 2-chlorothiazole
SMILES: Clc1nccs1
Compound: bensultap
SMILES: CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1
Compound: 1,2,3-trithiane
SMILES: C1CSSSC1
Compound: 1,3,5-trithiane
SMILES: C1SCSCS1
Compound: darifenacin
SMILES: [H][C@]1(CCN(CCc2ccc3OCCc3c2)C1)C(C(N)=O)(c1ccccc1)c1ccccc1
Compound: 1,2,4-trithiane
SMILES: C1CSSCS1
Compound: thiosultap
SMILES: CN(C)C(CSS(O)(=O)=O)CSS(O)(=O)=O
Compound: Croconazole
SMILES: Clc1cccc(COc2ccccc2C(=C)n2ccnc2)c1
Compound: Cromakalim
SMILES: CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N
Compound: spinosic acid A
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](O)C(C)(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C
Compound: hexachloroethane
SMILES: ClC(Cl)(Cl)C(Cl)(Cl)Cl
Compound: milbemycin A3
SMILES: [H][C@@]12C\C=C(C)\C[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@@H](C)O1)O2)[C@]34O
Compound: milbemycin A4
SMILES: [H][C@@]12C\C=C(C)\C[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@@H](CC)O1)O2)[C@]34O
Compound: emamectin B1a
SMILES: [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C1)[C@]34O
Compound: emamectin B1b
SMILES: [H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(O2)O[C@]([H])(C(C)C)[C@@H](C)C=C1)[C@]34O
Compound: hydroprene
SMILES: CCOC(=O)\C=C(C)\C=C\CC(C)CCCC(C)C
Compound: (R)-hydroprene
SMILES: CCOC(=O)\C=C(C)\C=C\C[C@H](C)CCCC(C)C
Compound: alpha-farnesene
SMILES: [H]C(CC([H])=C(C)C=C)=C(C)CCC=C(C)C
Compound: (Z,E)-alpha-farnesene
SMILES: CC(C)=CCC\C(C)=C\C\C=C(\C)C=C
Compound: (Z,Z)-alpha-farnesene
SMILES: CC(C)=CCC\C(C)=C/C\C=C(\C)C=C
Compound: (E,Z)-alpha-farnesene
SMILES: CC(C)=CCC\C(C)=C/C\C=C(/C)C=C
Compound: beta-farnesene
SMILES: [H]C(CCC(=C)C=C)=C(C)CCC=C(C)C
Compound: cis-beta-farnesene
SMILES: CC(C)=CCC\C(C)=C/CCC(=C)C=C
Compound: kinoprene
SMILES: CC(C)CCCC(C)C\C=C\C(C)=C\C(=O)OCC#C
Compound: alpha,beta-trehalose
SMILES: OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: beta,beta-trehalose
SMILES: OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: nonadecanoic acid
SMILES: CCCCCCCCCCCCCCCCCCC(O)=O
Compound: henicosanoic acid
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)=O
Compound: Crotanecine
SMILES: OCC1=CCN2C[C@@H](O)[C@@H](O)[C@@H]12
Compound: isopentadecanoic acid
SMILES: CC(C)CCCCCCCCCCCC(O)=O
Compound: 12-methyltetradecanoic acid
SMILES: CCC(C)CCCCCCCCCCC(O)=O
Compound: (S)-chloroquine
SMILES: CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12
Compound: (S)-methoprene
SMILES: COC(C)(C)CCC[C@H](C)C\C=C\C(C)=C\C(=O)OC(C)C
Compound: (R)-methoprene
SMILES: COC(C)(C)CCC[C@@H](C)C\C=C\C(C)=C\C(=O)OC(C)C
Compound: isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
SMILES: [H]C(CC(C)CCCC(C)(C)OC)=C([H])C(C)=C([H])C(=O)OC(C)C
Compound: diphenyl ether
SMILES: O(c1ccccc1)c1ccccc1
Compound: Crotono-betaine
SMILES: C\C=C\C(=O)C[N+](C)(C)C
Compound: pyriproxyfen
SMILES: CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1
Compound: 2-phenoxyphenol
SMILES: Oc1ccccc1Oc1ccccc1
Compound: 3-phenoxyphenol
SMILES: Oc1cccc(Oc2ccccc2)c1
Compound: 4-phenoxyphenol
SMILES: Oc1ccc(Oc2ccccc2)cc1
Compound: Crotonoside
SMILES: Nc1nc(=O)[nH]c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: 1,4-diphenoxybenzene
SMILES: O(c1ccccc1)c1ccc(Oc2ccccc2)cc1
Compound: 1,3-diphenoxybenzene
SMILES: O(c1ccccc1)c1cccc(Oc2ccccc2)c1
Compound: 1,2-diphenoxybenzene
SMILES: O(c1ccccc1)c1ccccc1Oc1ccccc1
Compound: bromomethane
SMILES: [H]C([H])([H])Br
Compound: bioresmethrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C
Compound: iodomethane
SMILES: [H]C([H])([H])I
Compound: cycloprothrin
SMILES: ClC1(Cl)CC1(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccccc1
Compound: chloropicrin
SMILES: [O-][N+](=O)C(Cl)(Cl)Cl
Compound: 2,2-dichloro-1-phenylcyclopropanecarboxylic acid
SMILES: OC(=O)C1(CC1(Cl)Cl)c1ccccc1
Compound: sulfuryl difluoride
SMILES: FS(F)(=O)=O
Compound: hexafluoroaluminate(3-)
SMILES: F[Al-3](F)(F)(F)(F)F
Compound: trisodium hexafluoroaluminate
SMILES: [Na+].[Na+].[Na+].F[Al-3](F)(F)(F)(F)F
Compound: cryogenine
SMILES: [H][C@]12C[C@@]3([H])CCCCN3[C@@]([H])(C1)C1=CC(OC)=C(OC)C=C1C1=CC(=CC=C1O)\C=C/C(=O)O2
Compound: flonicamid
SMILES: FC(F)(F)c1ccncc1C(=O)NCC#N
Compound: fenbutatin oxide
SMILES: CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
Compound: diafenthiuron
SMILES: CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C
Compound: cryptolepine
SMILES: Cn1c2c(cc3ccccc13)nc1ccccc21
Compound: propargite
SMILES: CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1
Compound: 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
SMILES: CC1(C)C(C=C(Cl)Cl)C1C(O)=O
Compound: (1R)-cis-(alphaS)-cyfluthrin
SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1ccc(F)c(Oc2ccccc2)c1
Compound: Cryptophorine
SMILES: CC\C=C\C=C\C=C\C=C\[C@@H]1CC[C@H](O)[C@H](C)N1C
Compound: (1S)-trans-(alphaR)-cyfluthrin
SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1
Compound: pymetrozine
SMILES: CC1=NNC(=O)N(C1)\N=C\c1cccnc1
Compound: (1R)-trans-(alphaS)-cyfluthrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1ccc(F)c(Oc2ccccc2)c1
Compound: (1S)-cis-(alphaR)-cyfluthrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1
Compound: clofentezine
SMILES: Clc1ccccc1-c1nnc(nn1)-c1ccccc1Cl
Compound: 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid
SMILES: CC1(C)C(C=C(Cl)C(F)(F)F)C1C(O)=O
Compound: cryptopleurine
SMILES: COc1ccc2c3CN4CCCC[C@@H]4Cc3c3cc(OC)c(OC)cc3c2c1
Compound: 1,2,4,5-tetrazine
SMILES: c1nncnn1
Compound: 1,2,3,4-tetrazine
SMILES: c1cnnnn1
Compound: gamma-cyhalothrin
SMILES: CC1(C)[C@@H](\C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: 1,2,3,5-tetrazine
SMILES: c1ncnnn1
Compound: (1S)-cis-(alphaR)-cyhalothrin
SMILES: CC1(C)[C@H](\C=C(/Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (S,S)-hexythiazox
SMILES: C[C@H]1[C@@H](SC(=O)N1C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Compound: etoxazole
SMILES: CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C
Compound: tetradifon
SMILES: Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
Compound: (1S)-cis-(alphaR)-cypermethrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1R)-cis-(alphaS)-cypermethrin
SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1S)-trans-(alphaR)-cypermethrin
SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1R)-trans-(alphaS)-cypermethrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1S)-cis-(alphaS)-cypermethrin
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: Cuauchichicine
SMILES: C[C@@H]1[C@@H]2C[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]3CC2)C1=O
Compound: (1S)-trans-(alphaS)-cypermethrin
SMILES: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1R)-trans-cyphenothrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
Compound: (1R)-trans-(alphaR)-cyphenothrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
Compound: (1R)-trans-(alphaS)-cyphenothrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
Compound: cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acid
SMILES: CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(O)=O
Compound: 2-(4-chlorophenyl)-3-methylbutyric acid
SMILES: CC(C)C(C(O)=O)c1ccc(Cl)cc1
Compound: esfenvalerate
SMILES: CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
Compound: chlorfenapyr
SMILES: CCOCn1c(c(C#N)c(Br)c1C(F)(F)F)-c1ccc(Cl)cc1
Compound: etofenprox
SMILES: CCOc1ccc(cc1)C(C)(C)COCc1cccc(Oc2ccccc2)c1
Compound: 4,6-dinitro-o-cresol
SMILES: Cc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Compound: Cuauhtemone
SMILES: CC(C)=C1C[C@H]2[C@](C)(O)[C@H](O)CC[C@]2(C)CC1=O
Compound: 2-(4-ethoxyphenyl)-2-methylpropan-1-ol
SMILES: CCOc1ccc(cc1)C(C)(C)CO
Compound: fenpropathrin
SMILES: CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
Compound: 2,3-dinitrophenol
SMILES: Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O
Compound: 2,2,3,3-tetramethylcyclopropanecarboxylic acid
SMILES: CC1(C)C(C(O)=O)C1(C)C
Compound: 2,6-dinitrophenol
SMILES: Oc1c(cccc1[N+]([O-])=O)[N+]([O-])=O
Compound: 3,4-dinitrophenol
SMILES: Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
Compound: 2-(4-hydroxyphenyl)-3-methylbutyric acid
SMILES: CC(C)C(C(O)=O)c1ccc(O)cc1
Compound: 3,5-dinitrophenol
SMILES: Oc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Compound: flumethrin
SMILES: CC1(C)C(C=C(Cl)c2ccc(Cl)cc2)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
Compound: tau-fluvalinate
SMILES: CC(C)[C@@H](Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
Compound: halfenprox
SMILES: CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Br)cc1
Compound: Cucumopine
SMILES: OC(=O)CC[C@@]1(N[C@@H](Cc2nc[nH]c12)C(O)=O)C(O)=O
Compound: chlorfluazuron
SMILES: C=1(F)C(C(=O)NC(=O)NC2=CC(Cl)=C(C(=C2)Cl)OC3=NC=C(C=C3Cl)C(F)(F)F)=C(F)C=CC1
Compound: (1R)-cis-imiprothrin
SMILES: CC(C)=C[C@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C
Compound: (1R)-trans-imiprothrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C
Compound: fluazuron
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c1
Compound: 3,4-dichlorophenoxyacetic acid
SMILES: OC(=O)COc1ccc(Cl)c(Cl)c1
Compound: flucycloxuron
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CON=C(C2CC2)c2ccc(Cl)cc2)cc1
Compound: (E)-flucycloxuron
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CO\N=C(/C2CC2)c2ccc(Cl)cc2)cc1
Compound: (Z)-flucycloxuron
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(CO\N=C(\C2CC2)c2ccc(Cl)cc2)cc1
Compound: (E)-buprofezin
SMILES: S/1CN(C=2C=CC=CC2)C(=O)N(\C1=N/C(C)(C)C)C(C)C
Compound: buprofezin
SMILES: N1(C=2C=CC=CC2)C(=O)N(\C(\SC1)=N\C(C)(C)C)C(C)C
Compound: flufenoxuron
SMILES: Fc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F
Compound: hexaflumuron
SMILES: FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
Compound: lufenuron
SMILES: FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
Compound: novaluron
SMILES: FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
Compound: noviflumuron
SMILES: FC(C(F)(F)F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c(F)c1Cl
Compound: teflubenzuron
SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F
Compound: triflumuron
SMILES: FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
Compound: imiprothrin
SMILES: CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C
Compound: felinine
SMILES: CC(C)(CCO)SC[C@H](N)C(O)=O
Compound: prallethrin
SMILES: CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C
Compound: kadethrin
SMILES: CC1(C)[C@@H](\C=C2/CCSC2=O)[C@H]1C(=O)OCC1=COC(CC2=CC=CC=C2)=C1
Compound: silafluofen
SMILES: CCOc1ccc(cc1)[Si](C)(C)CCCc1ccc(F)c(Oc2ccccc2)c1
Compound: 4-(trimethylsilyl)phenol
SMILES: C[Si](C)(C)c1ccc(O)cc1
Compound: (Z)-(1R)-cis-tefluthrin
SMILES: Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@H](\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F
Compound: (Z)-(1R)-trans-tefluthrin
SMILES: Cc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F
Compound: tetramethrin
SMILES: CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C
Compound: (1R)-tetramethrin
SMILES: CC(C)=CC1[C@@H](C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C
Compound: Cucurbitacin A
SMILES: CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
Compound: tralomethrin
SMILES: CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
Compound: (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid
SMILES: CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(O)=O
Compound: ZXI 8901
SMILES: CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1
Compound: (EZ)-(1R)-empenthrin
SMILES: CCC=C(C)C(OC(=O)[C@@H]1C(C=C(C)C)C1(C)C)C#C
Compound: (1R)-trans-phenothrin
SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
Compound: 2-(N-morpholiniumyl)ethanesulfonate
SMILES: [H][N+]1(CCOCC1)CCS([O-])(=O)=O
Compound: cucurbitacin B
SMILES: [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C
Compound: chloropropylate
SMILES: CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Compound: 4,4'-dichlorobenzilic acid
SMILES: OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Compound: benzilic acid
SMILES: OC(=O)C(O)(c1ccccc1)c1ccccc1
Compound: N-benzoylurea
SMILES: NC(=O)NC(=O)c1ccccc1
Compound: Cucurbitacin C
SMILES: CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
Compound: pentacosanoic acid
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Compound: perfluorooctane-1-sulfonic acid
SMILES: OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: octane-1-sulfonic acid
SMILES: CCCCCCCCS(O)(=O)=O
Compound: perfluorophenanthrene
SMILES: FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C21F
Compound: heptafluorobutyric anhydride
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Compound: pentafluorobenzoyl chloride
SMILES: Fc1c(F)c(F)c(C(Cl)=O)c(F)c1F
Compound: perfluorobutyric acid
SMILES: OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Compound: perfluorohexane
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Compound: perfluoropentane
SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Compound: hexafluoroacetone
SMILES: FC(F)(F)C(=O)C(F)(F)F
Compound: cucurbitacin D
SMILES: [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C
Compound: cucurbitacin E
SMILES: [H][C@@]12CC=C3[C@@]([H])(C=C(O)C(=O)C3(C)C)[C@]1(C)C(=O)C[C@]1(C)[C@]([H])([C@H](O)C[C@@]21C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O
Compound: BRACO-19
SMILES: Cl[H].Cl[H].Cl[H].CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Compound: sulfuryl chloride fluoride
SMILES: FS(Cl)(=O)=O
Compound: 2-undecenoic acid
SMILES: [H]C(CCCCCCCC)=C([H])C(O)=O
Compound: Cucurbitacin F
SMILES: CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: trans-undec-2-enoic acid
SMILES: CCCCCCCC\C=C\C(O)=O
Compound: cis-undec-2-enoic acid
SMILES: CCCCCCCC\C=C/C(O)=O
Compound: trans-9-undecenoic acid
SMILES: C\C=C\CCCCCCCC(O)=O
Compound: 9-undecenoic acid
SMILES: [H]C(C)=CCCCCCCCC(O)=O
Compound: cis-9-undecenoic acid
SMILES: C\C=C/CCCCCCCC(O)=O
Compound: unoprostone
SMILES: CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Compound: (+)-isopilocarpine
SMILES: CC[C@@H]1[C@H](COC1=O)Cc1cncn1C
Compound: Cucurbitacin H
SMILES: CC(C)(O)C(O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: xi,xi-pilocarpine
SMILES: CCC1C(COC1=O)Cc1cncn1C
Compound: (-)-isopilocarpine
SMILES: CC[C@H]1[C@@H](COC1=O)Cc1cncn1C
Compound: (-)-pilocarpine
SMILES: CC[C@@H]1[C@@H](COC1=O)Cc1cncn1C
Compound: timolol
SMILES: CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Compound: (R)-timolol
SMILES: CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1
Compound: 1,2,3-thiadiazole
SMILES: c1csnn1
Compound: 1,2,5-thiadiazole
SMILES: c1cnsn1
Compound: cucurbitacin I
SMILES: CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: disodium (alpha-D-galactopyranosyluronate)-(1->4)-alpha-D-galactopyranuronate
SMILES: [Na+].[Na+].O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](O)[C@H]1O)C([O-])=O
Compound: 1,2,4-thiadiazole
SMILES: c1ncsn1
Compound: 1,3,4-thiadiazole
SMILES: c1nncs1
Compound: alpha-D-GalpA-(1->4)-alpha-D-GalpA(2-)
SMILES: O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](O)[C@H]1O)C([O-])=O
Compound: pentamethyldiethylenetriamine
SMILES: CN(C)CCN(C)CCN(C)C
Compound: 3,2,3-tetramine
SMILES: NCCCNCCNCCCN
Compound: buta-1,3-diene
SMILES: C=CC=C
Compound: cucurbitacin J
SMILES: CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: buta-1,2-diene
SMILES: CC=C=C
Compound: chloroprene
SMILES: ClC(=C)C=C
Compound: sodium dichromate
SMILES: [Na+].[Na+].[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O
Compound: (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILES: N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc1ccccc1F
Compound: fkb-001
SMILES: COc1cc(cc(OC)c1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCc1ccccc1)CCCc1cccnc1
Compound: JMV 390-1
SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: Cucurbitacin L
SMILES: CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: Cucurbitacin O
SMILES: CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: 2,2,2-tetramine
SMILES: NCCNCCNCCN
Compound: 1-(1-phenylcyclopentyl)methylamine
SMILES: NCC1(CCCC1)c1ccccc1
Compound: 7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-(4-pyridyl)alloxanthine
SMILES: CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Compound: mevinic acid
SMILES: [C@@]12([C@H](CCC=C1C=C[C@@H]([C@@H]2CC[C@H](C[C@H](CC(=O)O)O)O)C)OC([C@H](CC)C)=O)[H]
Compound: Cucurbitacin P
SMILES: CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: Cucurbitacin Q
SMILES: CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Compound: dodecaethylene glycol
SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Compound: Cucurbitacin S
SMILES: C[C@H]1[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@H](CC1=O)C(C)(C)O
Compound: Cucurbitine
SMILES: N[C@@]1(CCNC1)C(O)=O
Compound: N-hexadecanoylglycine
SMILES: C(CCCCCCCCCC)CCCCC(NCC(O)=O)=O
Compound: (R)-carnitinium
SMILES: C[N+](C)(C)C[C@H](O)CC(O)=O
Compound: atorvastatin
SMILES: CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
Compound: Cularicine
SMILES: CN1CCc2ccc(O)c3Oc4cc5OCOc5cc4C[C@H]1c23
Compound: (2S)-3-methyl-2-((2R,3S)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
SMILES: CC(C)[C@@H]([C@@H]1[C@H](CCN1C(=O)c1coc(CN2CCCC2)n1)NS(C)(=O)=O)C(O)=O
Compound: tetratriacontaethylene glycol monomethyl ether
SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Compound: Cularidine
SMILES: COc1cc2C[C@@H]3N(C)CCc4ccc(O)c(Oc2cc1OC)c34
Compound: cetyltrimethylammonium ion
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C
Compound: (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILES: O[C@@H]1C=CC=C([C@H]1C(O)=O)C(=O)CCC(O)=O
Compound: 12-hydroxylauric acid
SMILES: OCCCCCCCCCCCC(O)=O
Compound: 1-(4-tert-butylcarbamoylpiperazin-1-ylcarbonyl)-3-(3-guanidinopropyl)-4-oxoazetidine-2-carboxylic acid
SMILES: CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1C(C(CCCNC(N)=N)C1=O)C(O)=O
Compound: Cularimine
SMILES: COc1cc2C[C@@H]3NCCc4ccc(OC)c(Oc2cc1OC)c34
Compound: (13R)-HPODE
SMILES: C(CCCCCCC/C=C\C=C\[C@@H](CCCCC)OO)(=O)O
Compound: 3,6,9,12,15,18-hexaoxaicosane
SMILES: CCOCCOCCOCCOCCOCCOCC
Compound: 5-benzyloxybenzylacyclouridine
SMILES: OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Compound: Cularine
SMILES: COc1cc2C[C@@H]3N(C)CCc4ccc(OC)c(Oc2cc1OC)c34
Compound: carbidopa (anhydrous)
SMILES: C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
Compound: (R)-bicalutamide
SMILES: C=1(C(=CC=C(C1)NC([C@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F
Compound: cupressuflavone
SMILES: Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1
Compound: Curacin A
SMILES: CO[C@H](CC\C(C)=C\C=C\CC\C=C/[C@@H]1CSC(=N1)[C@@H]1C[C@@H]1C)CC=C
Compound: 2-amino-2-deoxy-beta-D-galactopyranose
SMILES: N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
Compound: hexane-1,6-diamine
SMILES: NCCCCCCN
Compound: curcumin
SMILES: COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1
Compound: 1-methylcytosine
SMILES: Cn1ccc(N)nc1=O
Compound: pentaethylene glycol
SMILES: OCCOCCOCCOCCOCCO
Compound: N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
SMILES: CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]cc(NC(=O)c3cccnc3)c2c1
Compound: (1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
SMILES: CC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1
Compound: Cusparine
SMILES: COc1cc(CCc2ccc3OCOc3c2)nc2ccccc12
Compound: 3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
SMILES: N[C@@H](CC1=C\C(\C(O)=CC1=O)=N/CCc1ccccc1)C(O)=O
Compound: diflunisal
SMILES: OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Compound: metsulfuron methyl
SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
Compound: 4-(carboxymethyl)-L-phenylalanine
SMILES: N[C@@H](CC1=CC=C(CC(O)=O)C=C1)C(O)=O
Compound: 8-anilinonaphthalene-1-sulfonic acid
SMILES: OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Compound: 2-amino-4-methylphenol
SMILES: CC1=CC(N)=C(O)C=C1
Compound: ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate
SMILES: CCOC(=O)c1cnc(N)nc1O
Compound: 2'-deoxy-2-fluoroadenosine
SMILES: Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
Compound: beta-D-fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside
SMILES: [C@@H]1(O[C@@]2(CO)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(CCCCCCC)=O
Compound: D-sorbose 1,6-bisphosphate
SMILES: O[C@H](COP(O)(O)=O)[C@H](O)[C@@H](O)C(=O)COP(O)(O)=O
Compound: (Z)-SB-590885
SMILES: C/1CC2=C(\C1=N/O)C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C
Compound: D-sorbose 1-phosphate
SMILES: OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)COP(O)(O)=O
Compound: 2-fluoroadenosine
SMILES: Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Compound: dihydrogenphosphate
SMILES: [H]OP([O-])(=O)O[H]
Compound: (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILES: CC1(C)N[C@@H](CS1)C(O)=O
Compound: cyanin
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: nonaethylene glycol
SMILES: OCCOCCOCCOCCOCCOCCOCCOCCOCCO
Compound: 1-pyrroline-2-carboxylic acid zwitterion
SMILES: [O-]C(=O)C1=[NH+]CCC1
Compound: 1-iodo-2-methylbenzene
SMILES: Cc1ccccc1I
Compound: cyanopyrazine
SMILES: N#Cc1cnccn1
Compound: 2-allylphenol
SMILES: Oc1ccccc1CC=C
Compound: fumaraldehyde
SMILES: [H]C(=O)\C=C\C([H])=O
Compound: 3,4-xylenol
SMILES: Cc1ccc(O)cc1C
Compound: cyathin A3
SMILES: [H][C@]12C[C@@H](O)C(CO)=CC(=O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C21
Compound: 2,4,6-triaminopyrimidine
SMILES: Nc1cc(N)nc(N)n1
Compound: 2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine
SMILES: N[C@@H](Cc1cc(\N=C\Cc2ccccc2)c(O)cc1O)C(O)=O
Compound: valproic acid
SMILES: CCCC(CCC)C(O)=O
Compound: Cyclamin
SMILES: C[C@@]1(CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1)C=O
Compound: 3'-deoxyguanosine
SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)C[C@H]2O)C(=O)N1
Compound: 3-fluorocatechol
SMILES: Oc1cccc(F)c1O
Compound: cyclandelate
SMILES: CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1
Compound: N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide
SMILES: C([C@H](CC(C)C)NC([C@@H](NC(=O)[C@@H](NC(=O)C1=NOC(=C1)C)C)C(C)C)=O)(=O)N[C@H](/C=C/C(OCC2=CC=CC=C2)=O)C[C@H]3C(NCC3)=O
Compound: 3,4-dimethylaniline
SMILES: Cc1ccc(N)cc1C
Compound: 3,5-dihydroxybenzoic acid
SMILES: OC(=O)c1cc(O)cc(O)c1