MonarchInit/C3PO huggingface dataset:
Compound: Exserolide B
SMILES: O=C1O[C@H]2[C@@H](O[C@H](C2)CCC)C=3C1=C(O)C(OC)=C(OC)C3
Compound: Micropeptin MM978
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCC(=O)N)C
Compound: Saponaceolide N
SMILES: O=C1[C@@]2(O[C@]3(OC[C@H](CC[C@H]4C([C@H](C(=C)CC4)[C@@H](OC(=O)C)C=C5C(=O)OCC5)(C)C)CC3)[C@@](C1)(C)OC2(C)C)O
Compound: Kobutimycin A
SMILES: O=C(OC(/C=C\1/C=C(C)C=2C13OC3CCN2)C(OC(=O)C)C)C(C)C
Compound: A80915D
SMILES: Cl[C@@]12C(=O)C=3C(O)=C(C(=O)C(C3C([C@@]1(OC(C)(C)[C@@H](C2)Cl)C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)=O)=[N+]=[N-])C
Compound: Clonostachin B
SMILES: O=C(N1[C@H](C(=O)N[C@@](C(=O)N[C@@H](C(=O)OC(C(O)C(O)CO)C(O)CO)[C@H](CC)C)(CC)C)C[C@H](C1)O)[C@](NC(=O)[C@](NC(=O)C(NC(=O)[C@H]2N(C(=O)[C@](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@H]4N(C(=O)C(NC(=O)C)(C)C)C[C@@H](C4)O)CC(C)C)(CC)C)C[C@@H](C3)O)CC(C)C)(CC)C)C[C@@H](C2)O)(C)C)(CC)C)(CC)C
Compound: (-)-2-epi-Homononactic acid
SMILES: O=C(O)[C@H](C1OC(C[C@@H](O)CC)CC1)C
Compound: Labradorin 1
SMILES: O1C(C=2C3=C(C=CC=C3)NC2)=CN=C1CC(C)C
Compound: Saponaceoic acid II
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CC[C@H](O)C(=C)C
Compound: Isochromophilone I
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=CC(CC)C)C)C3C(C(=O)C)C(OC3(C1=O)C)=O
Compound: 9-Deoxo-31-O-demethyl FK506
SMILES: O=C1O[C@H](/C(=C/[C@H]2C[C@@H](O)[C@H](O)CC2)/C)[C@@H]([C@@H](O)CC(=O)[C@@H](C=C(C[C@@H](C[C@@H]([C@H]3O[C@](CC(N4[C@H]1CCCC4)=O)(O)[C@@H](C[C@@H]3OC)C)OC)C)C)CC=C)C
Compound: 3,6-Dibromocarbazole
SMILES: BrC1=CC2=C(NC3=C2C=C(Br)C=C3)C=C1
Compound: Phormidolide
SMILES: Br/C=C(/OC)\C(=C)C[C@H](OC(=O)CCCCCCCCCCCCCCC)C[C@@H]1OC(O[C@@H]([C@@H]1C)C[C@@H]2OC(O[C@@H](C2(C)C)C/C(=C/[C@H](O)[C@]3(O[C@H]4CC(=CC(=C)C[C@H](O)CC=CC(=CC(O[C@@H]3C4)=O)C)C)C)/C)(C)C)(C)C
Compound: 2,2',4,4'-tetrahyoxy-8'-methyl-6-methoxyacylethyldiphenylmethanone
SMILES: O=C(C1=C(O)C=C(O)C=C1CC(=O)OC)C2=C(O)C=C(O)C=C2C
Compound: Ascotrichester C
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O)C2)C[C@H](OC(=O)C3=C(O)C=C(O)C=C3C[C@H](OC(=O)C[C@H](OC(=O)C4=C(O)C=C(O)C=C4C[C@H](OC(=O)C[C@H](O)C)C)C)C)C
Compound: Lactardial
SMILES: O=CC1=C(C(O)OC1)C[C@H](C2=CCC(C2)(C)C)C
Compound: (-)-sphaeropsidone
SMILES: O=C1C=C(OC)[C@H](O)[C@H]2[C@@H]1O2
Compound: 1-deoxy-2-demethyl-viridiol
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@]4(C[C@H](O)[C@@H](C=5C4=C1OC5)O)C
Compound: 3,11,15-trihydroxydrimene
SMILES: O[C@H]1[C@@]([C@H]2[C@]([C@H](C(C)=CC2)CO)(C)CC1)(CO)C
Compound: 3alpha,15alpha,22alpha-trihydroxylanosta-7,9(11),24-trien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@@H](O)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)O)C)C)/C
Compound: Ergoxanthin
SMILES: O=C1C2=C(O)C(C3=C(O)C4=C(OC(C(=O)OC)(C5OC(=O)CC5C)CC4=O)C=C3)=CC=C2OC67C1(O)C(OC6=O)CC(C7O)C
Compound: 3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC(C)C)CCC(=O)NCCC2=CC=CC=C2
Compound: (2E,10Z)-2-[(6Z,9Z)-pentadeca-6,9-dienyl]nonadeca-2,10-dienal
SMILES: O=C/C(=C/CCCCCC/C=C\CCCCCCCC)/CCCCC/C=C\C/C=C\CCCCC
Compound: (1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione
SMILES: O=C1C2=C(O)C=C(C)C=C2C(=O)C3=C1C=4O[C@]56O[C@@H](C)[C@H]7C6(C4C=C3)C(=C(O)C8=C5C=CC=C8O)C(=O)C=C7C
Compound: 3-Acetyl-4""-isovaleryltylosin
SMILES: O=C1C=CC(=CC([C@@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC=O)OC2OC(C(OC3OC(C(OC(=O)CC(C)C)C(C3)(O)C)C)C(C2O)N(C)C)C)C)OC(=O)C)CC)COC4OC(C(O)C(C4OC)OC)C)C
Compound: L-Phe-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH
SMILES: O=C(N[C@H](C(=O)O)C)C(N(C(=O)[C@H](NC(=O)[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC(=O)OC)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@@H](OC)CC2=CC=CC=C2)C)/C)C)CCC(=O)O)C)=C
Compound: Xyloketal F
SMILES: O1C2=C3C(O[C@]4(OC[C@@H]([C@H]4C3)C)C)=C(CC5=C6O[C@]7(OC[C@@H]([C@H]7CC6=C8O[C@]9(O[C@@H](C[C@H]9CC8=C5O)C)C)C)C)C(=C2C[C@H]%10[C@@]1(OC[C@@H]%10C)C)O
Compound: Photinide B
SMILES: O=C/1C2=C(OC)C=CC=C2O\C1=C(\[C@@H]3OC(=O)C[C@H]3C)/CO
Compound: Radianspene L
SMILES: O=C1NC2=C3C(=O)C(O)=C([C@]3(CC[C@]4([C@H]2C1=CCC4)C)C)C(C)C
Compound: Pestalotine A
SMILES: O=C1O[C@@H]2O[C@H](O[C@@H]3C=CO[C@@H]4[C@H]3CC(=O)O4)C=C[C@@H]2C1
Compound: Protulactone A
SMILES: O=C1O[C@@H]2[C@@H](O)[C@H](C(OC(=O)C)C)O[C@@H]2C1
Compound: Retymicin
SMILES: O=C1C2=C(OC3=C1[C@@]4(O)C(=O)C[C@@H](C)C[C@@]4(O)C=C3)C(O)=CC=C2
Compound: Tetrahydroaltersolanol F
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H]3[C@@H]1C[C@@H](OC(=O)C)[C@](C3)(O)C
Compound: Vaccinal A
SMILES: O=CC1=C(O)C=CC=2C1=CC=C(C2C)O
Compound: Syringolin D
SMILES: O=C1NCCC=CC(NC(=O)C(NC(=O)NC(C(=O)O)C(CC)C)C(C)C)C(NC(C=C1)C(C)C)=O
Compound: Tanzawaic acid H
SMILES: O=C(O)/C=C/C=C/[C@H]1C(=C[C@H](O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C2)CO)C)C
Compound: Hydroxyfungerin A
SMILES: O=C(OC)/C=C/C=1N=CN(C1C/C=C(/CO)\C)C
Compound: Atlanticone B
SMILES: O=C1[C@@]2(O)[C@@H]([C@]3(CC[C@]43[C@@]1(O4)COC(=O)CCCCCCC/C=C/CCCCCCCC)C)CC(C2)(C)C
Compound: 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid
SMILES: OC(=O)C(=O)C=Cc1c(O)cc([nH]c1=O)C(O)=O
Compound: (1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester
SMILES: O=C1[C@H]([C@@H](CCCCCC(=O)OC)CC1)C/C=C\CC
Compound: 3,5′-dihydroxy-4′,5-dimethoxy-2′-methyl-[1,1′-biphenyl]-2-carboxylic acid methyl ester
SMILES: O=C(OC)C1=C(O)C=C(OC)C=C1C2=C(C=C(OC)C(=C2)O)C
Compound: Fusidilactone D
SMILES: O=C1O[C@@H](C)C2=C1[C@H](O)[C@@H](O)[C@@H](O2)/C=C\[C@@H](CC(O)(CC)C)C
Compound: Botrytone
SMILES: O=C1C2=C(O)C=CC(=C2[C@H](O)CC1)O
Compound: Asterriquinone SU-5503
SMILES: O=C1C(O)=C(C(=O)C(=C1C=2C3=C(C(C(=O)O)=CC=C3)NC2CC=C(C)C)O)C=4C5=C(C=CC=C5)NC4CC=C(C)C
Compound: Saliniquinone A
SMILES: O=C1C2=C3OC(=CC(C3=C(CO)C=C2C(=O)C=4C1=C(O)C=CC4)=O)[C@@]5(O[C@@H]5C=C)C
Compound: 2-hydroxy-3-methoxy-8-methyl-1-O-beta-D-glucopyranosylnaphthaline
SMILES: O1[C@@H](OC2=C(O)C(OC)=CC=3C2=C(C=CC3)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Ustilipid F3
SMILES: O=C(O[C@@H]1[C@H](OC(=O)C)[C@@H](O[C@@H]([C@H]1OC(=O)C)CO)OC[C@@H](O)[C@@H](O)CO)CCCCCCCCCCCCC
Compound: Salinisporamycin
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=C1NC(=O)\C(=C/C=C/[C@@H]([C@H](O)[C@H]([C@H](O)[C@@H]([C@@H]3O[C@@]4(O[C@H]([C@H]3C)CC4)C)C)C)C)\C)C
Compound: Cystargolide A
SMILES: O=C1OC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](CC)C)C(C)C)C1C(C)C
Compound: 2-methylamino-3H-phenoxazin-3-one
SMILES: O=C1C(NC)=CC2=NC=3C=CC=CC3OC2=C1
Compound: Sorbicatechol A
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@](O)(C)C([C@@]1([C@@H](C3=CC(OC)=C(O)C=C3)C2)C)=O
Compound: Actinotetraose J
SMILES: O=C(O[C@H]1[C@H](OC(=O)/C(=C/C)/C)[C@H](O[C@H]([C@@H]1O)O[C@H]2[C@H](O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]2O)O)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O[C@@H]4O[C@@H]([C@@H](OC(=O)/C(=C/C)/C)[C@@H]([C@H]4O)OC(=O)/C(=C/C)/C)CO)O)COC(=O)/C(=C/C)/C)CO)/C(=C/C)/CC
Compound: 4-Ethylbutan-4-olide
SMILES: O=C1OC[C@H](C1)CC
Compound: Ent-alpha-Cyperone
SMILES: O=C1C(=C2[C@@](CC[C@@H](C2)C(=C)C)(C)CC1)C
Compound: Trichurusin C/trichurusin E
SMILES: O=C1O[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H](CO)CCO)/C)C=C1)[C@H](C[C@H](CC(O)(C=C)C)C)C
Compound: methyl glucosyl-3,4-dehydro-apo-8′-lycopenoate
SMILES: O=C(OC)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(OC1OC(C(O)C(C1O)O)CO)(C)C)\C)\C)\C)/C)/C
Compound: 5-(hydroxymethyl)-2-(2',6',6'-trimethyltetrahydro-2H-pyran-2-yl)phenol
SMILES: O1[C@](C2=C(O)C=C(CO)C=C2)(CCCC1(C)C)C
Compound: Rosellisin aldehyde
SMILES: O=C1OC(=C(C=O)C(=C1CO)OC)/C=C/C(=O)OC
Compound: Genoketide A1
SMILES: O=C(C1=C(O)C2=C(O)C=CC=C2C=C1CC(=O)C)C
Compound: Wortmannilactone C
SMILES: O=C1OC(CC(O)C=CC=CC=CCC(CC(CC=CC=CC=C1)O)O)CC(O)C
Compound: Lanosta-8,23E-diene-3beta,22R,25-triol
SMILES: OC(/C=C/[C@@H](O)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)CC1)C)C)(C)C
Compound: 4,5-dihydroxy-12-methyloxacyclododecan-2-one
SMILES: O=C1OC(CCCCCCC(C(C1)O)O)C
Compound: Pestaloficiol R
SMILES: O=C1C2=C(OC(C1)(C)C)C(=CC(=C2)O)CC(=O)O
Compound: Spinosulfate A
SMILES: S(=O)(=O)(OC1=CC(OS(=O)(=O)O)=CC(=C1)CCCCCCC[C@@H](OC(=O)C2=C(O)C=C(O)C=C2CCCCCCCCCC)CCC)O
Compound: Resomycin C
SMILES: O=C1C2=C(O)C=3C(=C(C(C)=CC3)C(=O)OC)C=C2C(=O)C=4C1=C(O)C=CC4
Compound: 2-Hydroxycircumdatin C
SMILES: O=C1N[C@@H](C2=NC=3C=CC=CC3C(N2C4=C1C=C(O)C(=C4)O)=O)C
Compound: N-[5-(2-formyl-5-hydroxymethyl-pyrrol-1-yl)-pentyl]-acetamide
SMILES: O=C(NCCCCCN1C(=CC=C1CO)C=O)C
Compound: (-)-eurotiumide A
SMILES: O=C1O[C@@H]([C@@H](OC)C=2C1=C(O)C(=CC2O)CC=C(C)C)CCCCC
Compound: (7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-phenyl]-acrylic acid methyl ester
SMILES: O=C(OC)/C=C/C1=CC=C(OCC2=CC=C(OCC=C=C)C=C2)C=C1
Compound: (R)-(-)-5-bromomellein
SMILES: BrC1=C2C(C(=O)O[C@@H](C2)C)=C(O)C=C1
Compound: Paecilomycin J
SMILES: O=C1O[C@H](CCC[C@H](O)[C@@H]2O[C@H]([C@@H](C=3C1=C(O)C=C(OC)C3)O)C[C@@H]2O)C
Compound: D-asperlin
SMILES: O=C1O[C@@H]([C@H](OC(=O)C)C=C1)[C@@H]2O[C@H]2C
Compound: Asperparaline C
SMILES: O=C1N([C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)N(C)C(C4)=O)C[C@]15N(CCC5)C3)C
Compound: MA-144-KH
SMILES: O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(CC)C[C@@H]3OC4OC(C(O)C(C4)N)C)C=C2C(=O)C=5C1=C(O)C=CC5
Compound: Tyromycin A
SMILES: O=C1OC(=O)C(=C1CCCCCCCCCCCCCCCCC=2C(=O)OC(C2C)=O)C
Compound: Ralfuranone E
SMILES: S(=O)(C(C1=CC=CC=C1)C=2C(=O)OCC2C3=CC=CC=C3)C
Compound: Roseopurpurin A
SMILES: O=C1C(=C(O)[C@@H](O)[C@@]([C@H]1OC2=C(C(=CC(=C2C)O)C)C(=O)O)(OC)C)C
Compound: Prenylcyclotryprostatin B
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](OC)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3C=C(C)C)CC=C(C)C)CCC2
Compound: Oxyskyrin
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(CO)C3)C(C4=C5C(=O)C6=C(C(O)=CC(=C6)C)C(C5=C(O)C=C4O)=O)=C(O)C=C2O
Compound: Citreohybriddione B
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)=CC(=C)[C@]5(C(=O)[C@](C([C@@]35C(=O)OC)=O)(O)C)C)C
Compound: Odyverdiene A
SMILES: C1(=C)C2C(CC3C(C(=C)C)CCC(C3CC1)C)(CC2)C
Compound: Buanquinone
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C=C(CC(=O)C)C=C4CC3)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Compound: Scoparasin C
SMILES: O=C1OC=C[C@@](O)(C(=O)[C@@H](C)CC=C[C@@H]2[C@]3(O1)C(=O)N[C@H]([C@@H]3[C@H](C)[C@@]4([C@H]2O4)C)CC5=CC=C(O)C=C5)C
Compound: Hygrophorone F12
SMILES: O=C1O/C(=C/[C@@H](O)CCCCCCCCCCCC)/C=C1
Compound: Actinopolymorphol C
SMILES: OC1=CC=C(CC2=NC=C(CC3=CC=C(O)C=C3)N=C2)C=C1
Compound: 2a-oxa-2oxo-5a-hydroxy-3,4-dinor-24-ethylcholesta-24(28)-ene
SMILES: O=C1O[C@]2(O)CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CC/C(=C\C)/C(C)C)C)C
Compound: Yangjinhualine A
SMILES: O=C1O[C@H](O)C(=C1C)C2=CC=C(O)C=C2
Compound: (2S,3R,5S)-(-)-2,3-dihydroxytetradecan-5-olide
SMILES: O=C1O[C@H](C[C@H]([C@@H]1O)O)CCCCCCCCC
Compound: (3S,3'S)-Astaxanthin-beta-D-glucoside
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@@H](O)CC2(C)C)C)\C)\C)/C)/C)C(C)(C)C[C@@H]1OC3OC(C(O)C(C3O)O)CO)C
Compound: Thuggacin C
SMILES: S1C2=NC(=C1)C=C(C(=O)O[C@H]([C@@H](O)[C@H](O)CC=CC=C[C@@H](C[C@H]([C@@H]2C)O)O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CCCCCC
Compound: Aigialospirol
SMILES: O=C1O[C@H]([C@@H]2O[C@@]3(O[C@H](CC=C3)C)[C@@H](O)[C@H](C2)O)C=4C1=C(O)C=C(OC)C4
Compound: Maculalactone E
SMILES: O=C1O[C@@]2([C@@H](C3=CC=CC=C3)C[C@@H]([C@](C2=C1CC4=CC=CC=C4)(O)C5=CC=CC=C5)O)CC6=CC=CC=C6
Compound: 8-O-methyltetrangomycin
SMILES: O=C1C2=C3C(=O)C[C@@](O)(C)CC3=CC=C2C(=O)C4=C1C=CC=C4OC
Compound: 2-(2',3-epoxy-1'-heptenyl)-6-hydroxy-5-(3''-methyl-2''-butenyl)benzaldehyde
SMILES: O=CC1=C(O)C(=CC2=C1C=C(CCCCC)O2)CC=C(C)C
Compound: Miaolinolide
SMILES: O=C/1OC(=C)[C@@H](\C1=C\CCCCCCCCCCCCCCCCCCC)O
Compound: Microginin 51-A
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCC)CC3=CC=C(O)C=C3)C)C(C)C)C)CC4=CC=C(O)C=C4)CCC2
Compound: Yanucamide B
SMILES: O=C1N[C@H](C(=O)O[C@H](C(=O)N([C@H](CC2=CC=CC=C2)C(NCCC(OC(C1(C)C)CCCC#C)=O)=O)C)C(C)C)[C@H](CC)C
Compound: Neofipiperzine A
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3[C@@H](O)C(OO[C@@H]6C=C(C)C)(C)C)CCC2
Compound: (3S,4R)-dihydroxy-(6S)-undecyl-alpha-pyranone
SMILES: O=C1O[C@H](C[C@H]([C@@H]1O)O)CCCCCCCCCCC
Compound: Musacin F
SMILES: O=C1OC([C@@H](O)/C=C/C)C(C1)O
Compound: (3S,7R)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14(19),15,17-heptaen-13-one
SMILES: O=C1C2=C(OC3=C1C(O)=CC4=C3[C@@H]5C=CO[C@@H]5O4)C=CC=C2OC
Compound: Lolicine-A 11-O-propionate
SMILES: O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@H]6[C@@]([C@@]45C)(CC[C@H]7[C@]6([C@H](OC(=O)CC)C[C@H](O7)C(O)(C)C)C)C)C=C2)C[C@@H]8[C@@H]1C(OC8(C)C)(C)C
Compound: [Leu4]Surfactin
SMILES: O=C1OC(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(CC(C)C)C(N[C@H](C(N[C@H](C(NC(C(NC1CC(C)C)=O)CC(C)C)=O)CC(=O)O)=O)CC(C)C)=O)CC(C)C)CCC(=O)O)CCCCCCCC(C)C
Compound: 25-malonyl demalonylazalomycin F5a monoester
SMILES: O=C1O[C@H](C(C=CC=C([C@@H](O)C[C@H](O)C[C@@H](OC(=O)CC(=O)O)C[C@H](O)C[C@@H]2O[C@@](C[C@@H]([C@H](CCC(C(C(CC(C(C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCCC=CCCCNC(=NC)NC)C
Compound: Trichurusin F
SMILES: O=C1O[C@@H]([C@H](OC(=O)/C=C/C(=C/[C@@H](CO)CCO)/C)C=C1)[C@H](C[C@H](C/C(=C/C=O)/C)C)C
Compound: (-)-(R)-cyclo-hydroxysydonic acid
SMILES: O=C(O)C1=CC=2OO[C@@](C2C=C1)(CCCC(O)(C)C)C
Compound: Resveratrodehyde C
SMILES: O=CC1=C(O)C=C(O)C=C1/C=C/C2=CC=C(O)C=C2
Compound: Penioxamide A
SMILES: O=C1N[C@]23[C@@H](C(C=4NC5=C(C4C2)C=CC=C5CC=C(C)C)(C)C)C[C@]16N(CCCC6)C3
Compound: Peptidolipin D
SMILES: O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(N2[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](OC)C)=O)C(C)C)=O)[C@H](CC)C)=O)CCC2)=O)C(C)C)[C@H](O)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC
Compound: Soudanone D
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O)C2C)CCCCCC(=O)C
Compound: Termitomycesphin B
SMILES: O=C(N[C@H]([C@H](O)/C=C/CCC(O)C(=C)CCCCCCCCC)COC1OC(C(O)C(C1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCC
Compound: Striatin B
SMILES: O=C1[C@@]2(O)[C@@H](OC[C@H]1OC(=O)C)O[C@H]3[C@H]2C(=C[C@H](O)[C@H]4[C@]3(CC[C@@]5(C4=C(C(C)C)CC5)C)C)C=O
Compound: (1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
SMILES: O1O[C@@]23C=C[C@]14C(=CC[C@]5([C@H]4CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)CC)C)C)[C@]2(CC[C@@H](C3)O)C
Compound: Mitibetaimol A
SMILES: O=C1C(=CCCC(C)=C[C@H](C(C=C1)(C)C)O)C
Compound: Azaphilone Multiformin B
SMILES: O=C1C=C2C(=COC(=C2)[C@H]3C(=O)C=CC[C@@H]3C)C=4[C@@]1(OC(=O)C4C(=O)C(CC)C)C
Compound: Botcinin C
SMILES: O=C1O[C@@H]2[C@@](O[C@@H](C)[C@@H]([C@H]2C)OC(=O)/C=C/[C@@H](O)CCCCCC)(C)[C@H]([C@@H]1C)OC(=O)C
Compound: Fusarielin A
SMILES: O1[C@@]2([C@@H](/C(=C/C)/C)[C@@H](/C=C/C=C(/[C@@H](O)[C@H](CO)C)\C)[C@H]3[C@H]([C@H]12)C[C@]4(O[C@H]4C3)C)C
Compound: Lariatin A
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)O)CCC2)CCCCN)[C@H](CC)C)C(C)C)CC(=O)N)CO)CC=3NC=NC3)C(C)C)CC=4C5=C(C=CC=C5)NC4)CCC(=O)NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CCC(=O)N)=O)CO)=O)CCCNC(=N)N)CC6=CC=C(O)C=C6
Compound: Applanatin A
SMILES: O=C1C2=C(O[C@@]3([C@@H]1CC[C@@H](C3=O)C(=C)CO)O)C=CC(=C2)O
Compound: Bohemamine
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C
Compound: [Phe3,N-MeVal5]-Destruxin B
SMILES: O=C1N(C(C(=O)NCCC(=O)OC(CC(C)C)C(N2C(C(NC(C(N(C1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)C(C)C)C
Compound: Bicycloalternarene A
SMILES: O=C1C2=C(O[C@@H](C2)C(O)(CC[C@@H](O)C(O)(CCC=C(C)C)C)C)CC[C@H]1O
Compound: Uredinorubellin II
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C4=C(C[C@@]56[C@@H]4C=C[C@@H](O)C5(O)C(=O)C=7C(O)=CC(=CC7[C@@H]6O)C)C=C2O
Compound: Hoiamide A
SMILES: S1C2=NC(=C1)C=3SC[C@@](N3)(C=4SC[C@@](N4)(C(=O)N[C@H]([C@@H](O)[C@@H](C)C(O[C@H](C(N[C@H](C(O[C@@H]([C@H]([C@H](C2)OC)C)[C@H]([C@@H](O)[C@@H](CCC)C)C)=O)[C@H](O)C)=O)C(C)C)=O)[C@H](CC)C)C)C
Compound: Largamide H
SMILES: O=C/1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N/C(/C(=O)N[C@H](C(N(CC(N[C@H](C(N[C@@H]([C@H](C(N\C1=C\C)=O)O)C[C@@H](O)CCCCCCC)=O)C)=O)C)=O)CCC(=O)N)=C\C)CC(=O)N)C)[C@H](O)C)CCCC2=CC=C(OC)C=C2)C(C)C
Compound: Epi-fiscalin C
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4NC(C)(C)C6=O)=O)C(C)C
Compound: Clecarmycin C
SMILES: O=C1C2=C(OC(=C1)C3(OC3C4OC4)C)C=5C(=C(O)C=6C(O)C7(C8OC(C(O)C(C8)=O)C)C(C(C6C5)=O)O7)C=C2C
Compound: (1S,2R,4R,10S,12S,14S)-12-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
SMILES: O=C1OC[C@@]23O[C@@H]2[C@H]4OC([C@@]5(C4[C@@](C3=C1)(C[C@H](O)C5)C)C)=O
Compound: Pseudacyclin B
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(N[C@@H]1CC3=CC=CC=C3)=O)NC(=O)[C@@H](NC(=O)C)[C@H](CC)C)C(C)C)[C@H](CC)C)CCC2
Compound: 3-methylcytidine
SMILES: Cn1c(=N)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O
Compound: Bybetaochlamic acid
SMILES: O=C1OC(=O)C2=C1[C@@H](CC=3C(=O)OC(C3C[C@@H](C2)CC)=O)CCC
Compound: Iso-16-deethylindanomycin
SMILES: O=C(C=1NC=CC1)[C@H]2[C@H](C=C[C@@H]3[C@@H]2CCC3)/C=C/C=C(/[C@@H]4O[C@H]([C@H](C(=O)O)C)CC[C@H]4C)\CC
Compound: Chevalone D
SMILES: O=C1/C(/O[C@]2(CC[C@H]3[C@]([C@@H]2C1)(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)=C\C(=O)C
Compound: Ganodermaside A
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@@H]4O)(C)CCC3[C@@]2(C)CC1
Compound: Pseudoxylallemycin D
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC(O)=C(OCC=C=C)C=C2)=O)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C
Compound: Vaccinol C
SMILES: O1[C@@H]([C@H](O)C)C[C@H](O)C=2C(C1)=C(O)C=CC2CC=C(C)C
Compound: Mycenarubin A
SMILES: O=C1C(=O)C=C2N([C@H](C(=O)O)CC=3C2=C1NC3)CCCN
Compound: Enniatin B1
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(CC)C)C)=O)C(C)C)=O)C(C)C)C)C(C)C)C(C)C)C)C(C)C
Compound: Manpbeta1-2inositol1-phospho-ceramide
SMILES: P(=O)(OC1C(O)C(O)C(OC2OC(C(O)C(C2O)O)CO)C(C1O)O)(OCC(NC(=O)C)C(O)C)O
Compound: Oxisterigmatocystin A
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3OC)C4=C(O[C@@H]5[C@H]4C[C@H](OC)O5)C=C2OC
Compound: 5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate
SMILES: OC(=O)C(=O)CCc1c(O)cc([nH]c1=O)C([O-])=O
Compound: Altersolanol G
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1[C@@H]([C@@H](O)[C@]([C@@H]3O)(O)C)C
Compound: Ganomycin A
SMILES: O=C(O)/C(=C\CC1=C(O)C=CC(=C1)O)/CC/C=C(/CC/C=C(/CO)\C)\C
Compound: Pentadec-8-en-2-one
SMILES: O=C(CCCCC/C=C\CCCCCC)C
Compound: Nocardimicin C
SMILES: O=C1NCCCCC1NC(=O)C(C(OC(=O)C(NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2)CCCCN(O)C(=O)C)CCCCCCCCCCC)C
Compound: Kanchanamycin A
SMILES: O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=O)N)C
Compound: Roseoferin C1
SMILES: O=C(NC(C(=O)NC(CN(CCO)C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(CC)C)(C)C
Compound: Tanzawaic acid O
SMILES: O=C(O)/C=C/C=C/[C@@H]1[C@@H]2[C@@H](C=C[C@@H]1C)C[C@@](O)(CO)C[C@H]2C
Compound: Cordyheptapeptide E
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](C(N2[C@H](C(N(CC(N[C@H]1CC3=CC=CC=C3)=O)C)=O)CCC2)=O)CC4=CC=C(O)C=C4)CC(C)C)[C@@H](CC)C)CC5=CC=C(O)C=C5)C
Compound: RES-701-3
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC=3C4=C(C=CC=C4)NC3)CC5=CC=C(O)C=C5)CC6=CC=C(O)C=C6)CC(=O)N)CC7=CC=CC=C7)CC8=CC=CC=C8)CC=9C%10=C(C=CC=C%10)NC9)CC(=O)NCC(=O)NC(C(=O)NC(C(NC(C(NCC(NC(C(NC1CO)=O)[C@H](O)C)=O)=O)CC=%11N=CNC%11)=O)CC=%12C%13=C(C=CC=C%13)NC%12)CC(=O)N)CCC2
Compound: Phellinignincisterol B
SMILES: O=C1O[C@H]2CC[C@]3([C@@](C2=C1)(O)CC[C@@H]3[C@@H](C=CC(O)(C(O)(C)C)C)C)C
Compound: 5-acetoxymethylfuran-3-carboxylic acid
SMILES: O=C(O)C1=COC(=C1)COC(=O)C
Compound: Polyoxin C
SMILES: O=C1N(C=C(CO)C(N1)=O)[C@@H]2O[C@H]([C@H](N)C(=O)O)[C@H]([C@H]2O)O
Compound: Sporovexin A
SMILES: O=C(O)C1=CC=C(OCC[C@@H](C(=O)O)C)C=C1
Compound: Ananstrep A
SMILES: O[C@]12[C@@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(CO)C)C)C)CC4)(C)CC3)=C[C@H]1O)(CC[C@@H](C2)O)C
Compound: Uvidin A
SMILES: O=C1[C@@H]2[C@@]([C@@H](CO)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Compound: Tirandamycin C
SMILES: O=C1NCC(C1=C(O)C=CC(=C[C@H]([C@H]2O[C@]3(O[C@@H]([C@@H]2C)CC=C3C)C)C)C)=O
Compound: Corynechromone E
SMILES: O=C1C2=C(O[C@@H](C1)C[C@@H](O)C)C=C(O)C=C2CC(=O)O
Compound: (5R) 5-hydroxylasiodiplodin
SMILES: O=C1O[C@H](C[C@H](O)CCCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Phycomysterol A
SMILES: O[C@@H]1CC2=C(C3=C([C@H]4[C@]([C@@H]([C@@H](CCC(=C)C(C)C)C)CC4)(C)CC3)C=C2)CC1
Compound: Lysolipin I
SMILES: ClC1=C(OC)C=2OC3=C4OCO[C@H]5C4=C(C6=C(O)C=7C(=O)N([C@@H](OC)[C@H](C7C=C6[C@H]5OC)O)C)C(=C3C(C2C=C1)=O)O
Compound: Peribysin D
SMILES: O1[C@H]2C=3[C@@H](OCC3C1)C[C@@H]4[C@]2([C@H](CCC4)C)C
Compound: Karuquinone A
SMILES: O=C1C2=C(O)C(=C(C)C(=C2C(=O)CC1)O)CC(=O)C
Compound: Phomalairdenone C
SMILES: O=C1C=C[C@@]23[C@@]1([C@H](O)C(C)(C)[C@@H]2CC[C@H]3C)C
Compound: Cytotrienin B
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)CCC=C(C(O)C(C)C(CC=CC=CC=CC(C1)OC)OC(=O)C3(NC(=O)C4CCCCC4)CC3)C
Compound: Cyclipostin Q
SMILES: [P@]1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCCCCCC
Compound: 6-methoxy-4-methyl-2,3-(methylenedioxy)phenol
SMILES: O1C2=C(O)C(OC)=CC(=C2OC1)C
Compound: Trichorovin-IXb
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(C)C)CO)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)CC(C)C)CC(C)C)(C)C
Compound: Antimycin A12
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC(C)C)[C@@H](CCC(C)C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: (1R,4S,5S,11R,14S,15S)-5,15-dihydroxy-1,11-bis(methylsulanyl)-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraene-2,12-dione
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](O)C=CC4)[C@@H]5[C@@H](O)C=COC=C5C2)C
Compound: LL-49F233alpha
SMILES: O=C1N(C(CO)C(C1=C(O)C2(C(C(=CC3C2CCC(C3)C)C)/C=C/C=C/C)C)=O)C
Compound: Cylindrocyclophane A1
SMILES: ClCCCC[C@@H]1C2=C(O)C=C([C@H](O)[C@H](CCCC[C@H](CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)O)C=C3O)O)C)C=C2O
Compound: Penienone
SMILES: O=C1C=CC[C@H]([C@@H]1CO)/C=C/C=C/CCC
Compound: Penifulvin E
SMILES: O=C1O[C@H]2OC(=O)[C@H]3[C@]24[C@@H](C[C@@H]3O)C(C[C@@]4(C1)C)(C)C
Compound: Cattienoid A
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H](C(=O)C)C[C@H]4O)(C)CCC3C=C2C=C1)C)(C)C
Compound: 9-Keto-10,11-didehydroepothilone D
SMILES: S1C(=NC(=C1)/C=C(/C2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](C(C=CC(=CC2)C)=O)C)C)(C)C)\C)C
Compound: Arisostatin A
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@H]3[C@@]4(OC(=O)C(C4=O)=C([C@@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@H]7O[C@H]([C@H](OC(=O)C(C)C)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O[C@H]9O[C@H]([C@H](O[C@@H]%10O[C@H]([C@H](O)CC%10)C)[C@@H](C9)O)C)CC8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CC(C=O)=C[C@@H]3O)C)C)C
Compound: Ramariolide A
SMILES: O=C1O[C@@]2(O[C@H]2[C@@H](O)CCCCCCCCCC)C=C1
Compound: Emericellene D
SMILES: O=C(O)[C@@]1([C@@H]2[C@H](C=O)CC[C@@H]1CC=C(CCC=C(CC2)C)C)CCC=C(C)C
Compound: Trioxacarcin E
SMILES: O=C1C2=C(O)C3=C4O[C@@]5(O)[C@](O)([C@](O)(C(OC)OC)O[C@H]5[C@H](C4=C(C)C=C3C(=C2[C@@H](OC6OC(C(OC(=O)C)C(C6)(O)C)C)C[C@@H]1O)OC)O)CO
Compound: Aspergifuranone
SMILES: O=C1C=2OC(/C=C/C)=CC2C[C@H]([C@]1(OC(=O)C3=C(O)C=C(O)C=C3C)C)O
Compound: Pleofungin A
SMILES: O=C1O[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H]([C@H](O)C)C(N([C@H](C(N[C@H](C(N([C@H](C(O[C@@H]([C@@H]1NC(=O)[C@@H](NC)[C@H](CC)C)C)=O)CC(C)C)C)=O)C)=O)C(C)C)C)=O)CC(C)C)C)[C@H](CC)C)CC(C)C)C(C)C
Compound: Myxothiazol S2
SMILES: S1C(=NC(=C1)C(=O)O)[C@H](C=CC=CC(C)C)C
Compound: Chaxalactin A
SMILES: O=C1O[C@H](/C=C/CC)CC=CC=C[C@@H](O)C[C@H](O)[C@H](C)C=CC[C@@H](C=CC=C(C=C1)C)C
Compound: Nocardiamide A
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)C(C)C)C(C)C)C(C)C)CC2=CC=C(O)C=C2
Compound: Graphiumin C
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C
Compound: Isoharzianic acid
SMILES: O=C1N([C@H](CC(O)(C(=O)O)C(C)C)C(C1=C(O)C=CC=CCCC)=O)C
Compound: (E,9S)-9-hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
SMILES: O=C(CC/C=C/[C@H](O)C1OC1CO)CCC
Compound: Plicatilisin D
SMILES: O=C1[C@]2(O)[C@@](CC[C@]3(C=4[C@@H]2OCC4[C@@H](O)CC3)C)(C)[C@H]([C@H]1O)C(C)C
Compound: Duocarmycin A
SMILES: O=C1C=2NC(C(=O)OC)(C)C(C2C34C(C3)CN(C4=C1)C(=O)C=5NC=6C(OC)=C(OC)C(=CC6C5)OC)=O
Compound: Pseudoxylallemycin A
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC=CC=C2)=O)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C
Compound: Versicoumarin A
SMILES: O=C1O[C@@H](CC2=C1C=C(OC)C3=C2C(=O)CC(O3)(C)C)C
Compound: Notoamide I
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14C(=O)C=5C6=C(C7=C(OC(C)(C)C=C7)C=C6)NC5C([C@@H]4C3)(C)C)CCC2
Compound: Antrodin D
SMILES: O[C@@H]1[C@H]2[C@]([C@@H](C)[C@H](C2)C)(C)[C@H]3[C@@H]1CC(C)(C)C3
Compound: Amphibactin S
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC/C=C\CCCCCC)CCCN(O)C(=O)C)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C
Compound: Desmethylisaridin E
SMILES: O=C1N([C@H](C(=O)NCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)C(C)C)C
Compound: Marinopyrone B
SMILES: O=C1OC(=C(C)C(=C1C)OC)/C=C/[C@H](CO)CC
Compound: Paecilomycin L
SMILES: O=C1O[C@H](CCC[C@@H](O)[C@@H]2O[C@H]([C@@H](C=3C1=C(O)C=C(OC)C3)O)CC2)C
Compound: Clearanol C
SMILES: O=C1OC(=C)[C@@H](C)C=2C1=C(O)C=C(OC)C2C
Compound: Secopenicillide A
SMILES: O=C(OC)C1=C(OC)C(=CC=C1OC2=C(O)C=C(C)C=C2CO)[C@@H](OC(=O)C)CC(C)C
Compound: Butyl ganoderate B
SMILES: O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)[C@@H](CC(=O)C[C@H](C(=O)OCCCC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Cinatrin C3
SMILES: O=C1O[C@@H](C(=O)O)[C@]([C@@]1(O)CCCCCCCCCCCC)(O)C(=O)O
Compound: Phyllospinarone
SMILES: O=C1C(=CC(O)=C2C1(O)CC=3CC[C@@H]4[C@@](C3C2)(CCCC4(C)C)C)CO
Compound: Lupinacidin B
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(=C(O)C(=C3O)C)CCCC
Compound: Oligomycin F
SMILES: O=C1O[C@@H]2[C@H]([C@]3(O[C@@H]([C@@H]2C)CCC(C=CC=CC[C@H](C)C([C@@](C([C@@H]([C@H]([C@@H](C([C@@H]([C@H]([C@@H](C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)CC)OC([C@H](C)CC3)C[C@@H](O)CC)C
Compound: 3R-[3R-(3R-Hydroxybutyryloxy)-butyryloxy)buteric acid
SMILES: O=C(O[C@@H](CC(=O)O)C)CC(OC(=O)C[C@H](O)C)C
Compound: 29-N-demethylparaherquamide K
SMILES: O=C1N[C@]23[C@H](C(C)(C)[C@@]4(C2)C(=O)NC5=C4C=CC6=C5C=CC(O6)(C)C)C[C@]17N(C(=O)[C@@H](C7)C)C3
Compound: Hypochromin B
SMILES: O=C1C(C=2C(=O)C=C(O)C=3C2C=C4OC(C)=CC(=C4C3O)O)=C5C(=C(O)C6=C(O)C=C(OC6=C5)CC(=O)C)C(=C1)O
Compound: 1,20-diamino-4,8,13,17-tetra-azaeicosane
SMILES: N(CCCNCCCCNCCCNCCCN)CCCN
Compound: Dhilirolide F
SMILES: O=C1OC(C2=CC[C@]3([C@@H](C(=C2C1)C)C[C@]4(C(=O)[C@]([C@@]3(C4=C)C(=O)OC)(O)C(=O)C)C)C)(C)C
Compound: Tenuipesine A
SMILES: O=C1[C@]2([C@@]3([C@@H]([C@H]4[C@@](C)(CC3)C4)O[C@@H]1[C@H](O)[C@H]2OC(=O)C)CO)C
Compound: 9-methoxystrobilurin B
SMILES: ClC1=C(OC)C=C(/C=C/C(/OC)=C(\C(\C(=O)OC)=C/OC)/C)C=C1
Compound: Scabronine F
SMILES: O=C(O)[C@]12C(C3=CC=C(C=O)C[C@@H]([C@]3(C)CC1)O)=C(C(C)C)CC2
Compound: 11-deoxydaunorubicin
SMILES: O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)N)C)C=C2C(=O)C=5C1=C(OC)C=CC5
Compound: Desferrioxamine X5
SMILES: O=C1N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCCNC(CCC(NCCCCCNC(CC1)=O)=O)=O
Compound: Alamethicin I
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)O)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Nitrocefin
SMILES: S1C2N(C(C(=O)O)=C(C1)C=CC3=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C3)C(=O)C2NC(=O)CC=4SC=CC4
Compound: Desethyl KBT-3022
SMILES: S1C(=NC(=C1C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C=4N(C=CC4)CC(=O)O
Compound: Erythromycin lactobionate
SMILES: O=C1OC(C(O)(C(O)C(C(=O)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)CC.O=C(O)C(O)C(O)C(OC1OC(C(O)C(C1O)O)CO)C(O)CO
Compound: Cytochalasin J
SMILES: O=C1NC(CC2=CC=CC=C2)C3C14C(O)C=CC(O)(CC(CC=CC4C(O)C(=C)C3C)C)C
Compound: Cephalosporin C Zinc Salt
SMILES: [Zn+2].S1C2N(C(C(=O)[O-])=C(C1)CC(=O)C)C(=O)C2NC(=O)CCCC(N)C(=O)[O-]
Compound: Dihydrocyclosporin A
SMILES: O=C1N(C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C)C(C(NC(C(NC(C(N(C(C(N(C(C(N(C1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)CC)C(O)C(CCCC)C)C
Compound: OM-173betaA
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C(OC(C3)CCO)C
Compound: Piliformic acid
SMILES: O=C(O)C(=CCCCCC)[C@@H](C(=O)O)C
Compound: Radicinol
SMILES: O=C1OC(=CC2=C1C(O)C(O)C(O2)C)C=CC
Compound: sartorypyrone D
SMILES: [H][C@@]1(CC\C(C)=C\CC\C(C)=C\CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
Compound: Tryptoquivaline D
SMILES: O=C1N(C(=NC2=C1C=CC=C2)C(OC(=O)C)C(C)C)C3C(=O)OC4(C3)C5=C(C=CC=C5)N6C4N(O)C(C)C6=O
Compound: Bilaid A1
SMILES: O=C(NC(C(=O)NC(C(=O)N)CC1=CC=CC=C1)C(C)C)C(NC(=O)C(N)CC2=CC=CC=C2)C(C)C
Compound: Nanangenine C
SMILES: O=C1OCC=2C1(O)C3(C(C(CCC3)(C)C)C(C2)OC(=O)CCCCC)C
Compound: Phomopsin D
SMILES: ClC1=C(O)C=2OC(C(NC(=O)C(NC(C(C(C(=C1)C2)O)NC)=O)C(=C)C)C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)=C(CC)C)C=CC3)(CC)C
Compound: Wailupemycin G
SMILES: O=C1OC(C2=C(C3=CC=CC=C3)C=C(O)C=4C2=CC=CC4O)=CC(=C1)O
Compound: Piericidin C2
SMILES: O=C1C(OC)=C(OC)NC(=C1C)CC=C(CC(=CC(=CC(C(O)C2(OC2C)C)C)C)C)C
Compound: Piericidin C3
SMILES: O=C1C(OC)=C(OC)NC(=C1C)CC=C(CC=CC(=CC(C(O)C2(OC2C(C)C)C)C)C)C
Compound: Geneticin sulfate
SMILES: S(=O)(=O)(O)O.S(=O)(=O)(O)O.O1C(OC2C(O)C(OC3OCC(O)(C)C(C3O)NC)C(N)CC2N)C(N)C(O)C(C1C(O)C)O
Compound: Enrofloxacin hydrochloride
SMILES: Cl.FC1=C(N2CCN(CC)CC2)C=C3N(C=C(C(C3=C1)=O)C(=O)O)C4CC4
Compound: Cefquinome sulfate
SMILES: S(=O)(=O)(O)[O-].S1[C@H]2N(C(C(=O)O)=C(C1)C[N+]3=C4C(=CC=C3)CCCC4)C(=O)[C@H]2NC(=O)/C(=N\OC)/C=5N=C(N)SC5
Compound: Sulfamerazine sodium
SMILES: S(=O)(=O)([N-]C1=NC(=CC=N1)C)C2=CC=C(N)C=C2.[Na+]
Compound: Milbemycin oxime
SMILES: O=C1OC2CC3(OC(C2)CC=C(CC(C=CC=C4C5(C1C=C(C(=NO)C5OC4)C)O)C)C)OC(C(C)CC3)CC.O=C1OC2CC3(OC(C2)CC=C(CC(C=CC=C4C5(C1C=C(C(=NO)C5OC4)C)O)C)C)OC(C(C)CC3)C
Compound: Tyrothricin
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)C(NC(=O)C(NC(C(NC(C(NC(C(NC(C(NC1CC3=CC=CC=C3)=O)CC(C)C)=O)CCCN)=O)C(C)C)=O)CC4=CC=C(O)C=C4)CCC(=O)O)CC(=O)N)CC5=CC=CC=C5)CC6=CC=CC=C6)CCC2
Compound: Polymyxin B1 Sulfate
SMILES: S(=O)(=O)(O)O.O=C1NCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(CC)C)CCN)C(O)C)CCN)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC1C(O)C)=O)CCN)=O)CCN)=O)CC(C)C)CC2=CC=CC=C2)CCN
Compound: Sulfathiazole sodium
SMILES: S(=O)(=O)([N-]C=1SC=CN1)C2=CC=C(N)C=C2.[Na+]
Compound: 3-methylquinoline
SMILES: Cc1cnc2ccccc2c1
Compound: Morantel citrate salt
SMILES: S1C(=C(C)C=C1)C=CC2=NCCCN2C.O=C(O)C(O)(CC(=O)O)CC(=O)O
Compound: Kasugamycin hydrochloride
SMILES: Cl.O=C(O)C(=NC1C(OC(OC2C(O)C(O)C(O)C(C2O)O)C(C1)N)C)N
Compound: Trimethoprim lactate
SMILES: O=C(O)[C@@H](O)C.O(C1=C(OC)C=C(CC2=C(N=C(N)N=C2)N)C=C1OC)C
Compound: Tilmicosin Phosphate
SMILES: P(=O)(O)(O)O.O=C1C=CC(=CC(C(OC(=O)CC(C(C(C(CC1C)CCN2CC(CC(C2)C)C)OC3OC(C(O)C(C3O)N(C)C)C)C)O)CC)COC4OC(C(O)C(C4OC)OC)C)C
Compound: Fosfomycin sodium
SMILES: P(=O)([O-])([O-])C1OC1C.[Na+].[Na+]
Compound: Amoxicillin sodium salt
SMILES: S1C(C(C(=O)[O-])N2C1C(NC(=O)C(N)C3=CC=C(O)C=C3)C2=O)(C)C.[Na+]
Compound: Mycotrienin II
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)CCC=C(C(O)C(C)C(CC=CC=CC=CC(C1)OC)OC(=O)C(NC(=O)C3CCCCC3)C)C
Compound: L-681217
SMILES: O=C(O)C=CC=CC=CC1OC(C(C(OC)C(=CC=CCNC(=O)C(C2(OC(C=CC=CC)C(O)(C)C(C2)O)O)CC)C)C)CC1O
Compound: TAN 420C
SMILES: O=C1NC2=C(O)C(=CC(=C2)O)C(OC)C(CC(OC)C(O)C(C=C(C(C(C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: TPU-0037A
SMILES: O=C1NCC(C1=C(O)C2(C3C(C=C(C2CCC(C(O)C(=CCC(O)C=CC(C(O)C=CCC(O)C=CCC(O)CC4N(C(=N)N)CCC4)C)C)C)C)C(O)C(O)CC3)C)=O
Compound: 3-methylsalicylic acid
SMILES: Cc1cccc(C(O)=O)c1O
Compound: Saccharocarcin B
SMILES: O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)O)C)C(C7)OC%10OC(C(O)CC%10)C)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CCC
Compound: Sulfapyridine sodium
SMILES: S(=O)(=O)([N-]C1=NC=CC=C1)C2=CC=C(N)C=C2.[Na+]
Compound: Sulopenem
SMILES: S1(=O)CC(SC=2SC3C(C(O)C)C(N3C2C(=O)O)=O)CC1
Compound: Terrecyclic acid
SMILES: O=C1C(=C)C23C(C(=O)O)CCC(C2C1)C(C3)(C)C
Compound: Bleomycin A5 hydrochloride
SMILES: Cl.S1C(=NC(=C1)C(=O)NCCCNCCCCN)C=2N=C(CCNC(=O)C(NC(=O)C(C(O)C(NC(=O)C(NC(=O)C3=NC(=NC(=C3C)N)C(NCC(N)C(=O)N)CC(=O)N)C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5O)OC(=O)N)CO)O)CO)C=6NC=NC6)C)C)C(O)C)SC2
Compound: Salinomycin Sodium
SMILES: [Na+].O=C([O-])C(C1OC(C(C)CC1)C(C(O)C(C(=O)C(C2OC3(OC4(OC(C5OC(C(O)(CC)CC5)C)(C)CC4)C(O)C=C3)C(C)CC2C)CC)C)C)CC
Compound: Clindamycin hydrochloride monohydrate
SMILES: ClC(C(NC(=O)C1N(CC(C1)CCC)C)C2OC(SC)C(O)C(C2O)O)C.Cl
Compound: Valnemulin hydrochloride
SMILES: Cl.S(C(CNC(=O)C(N)C(C)C)(C)C)CC(=O)OC1C2(C(CCC3(C2C(=O)CC3)C(C)C(C(C1)(C=C)C)O)C)C
Compound: LL Z1640-4
SMILES: O=C1OC(CC=CC(O)C(O)C(CC=CC=2C1=C(O)C=C(OC)C2)O)C
Compound: Cyclosporin B
SMILES: O=C1N(C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C)C(C(NC(C(NC(C(N(C(C(N(C(C(N(C1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)C)C(O)C(CC=CC)C)C
Compound: Cyclosporin D
SMILES: O=C1N(C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C)C(C(NC(C(NC(C(N(C(C(N(C(C(N(C1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)C(C)C)C(O)C(CC=CC)C)C
Compound: Asterric acid
SMILES: O=C(OC)C1=C(OC2=C(C(O)=CC(=C2)C)C(=O)O)C(OC)=CC(=C1)O
Compound: Bafilomycin D
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C(=O)C=CC(C(O)C(C)C)C)C)C
Compound: Tylosin tartrate
SMILES: O=C1C=CC(=CC(C(OC(=O)CC(C(C(C(CC1C)CC=O)OC2OC(C(OC3OC(C(O)C(C3)(O)C)C)C(C2O)N(C)C)C)C)O)CC)COC4OC(C(O)C(C4OC)OC)C)C.O=C(O)C(O)C(O)C(=O)O
Compound: Fusidate sodium
SMILES: [Na+].O=C([O-])C(=C1C2C(C3(C(C4(C(C(C(O)CC4)C)CC3)C)C(C2)O)C)(C)CC1OC(=O)C)CCC=C(C)C
Compound: Berninamycin
SMILES: S1C2=NC(=C1)C(=O)NC(C(=O)NC(C=3OC(C)=C(N3)C(=O)NC(C(=O)NC(C(O)(C)C)C(NC(C4=NC(C(NC(C(NC(C5=NC(C6=C2C=CC(=N6)C(=O)NC(C(=O)NC(C(=O)N)=C)=C)=CO5)=C)=O)=C)=O)=C(O4)C)=C)=O)=C)=CC)C(O)C
Compound: (+/-)-Cyclopenin
SMILES: O=C1N(C2(OC2C3=CC=CC=C3)C(=O)NC4=C1C=CC=C4)C
Compound: Pirlimycin
SMILES: ClC(C(NC(=O)C1NCCC(C1)CC)C2OC(SC)C(O)C(C2O)O)C
Compound: Cecropin A
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)C)C(CC)C)CCC(=O)N)C(O)C)C)CCC(=O)N)C(C)C)C(C)C)C)C(C)C)C)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC=2C3=C(C=CC=C3)NC2)CCCCN)CC(C)C)CC4=CC=CC=C4)CCCCN)CCCCN)C(CC)C)CCC(=O)O)CCCCN)C(C)C)CCC(=O)N)CC(=O)N)C(CC)C)CCCNC(=N)N)CC(=O)O)C(CC)C)C(CC)C)CCCCN)C)CCC1
Compound: Lignosulfonic acid sodium salt
SMILES: S(=O)(=O)([O-])C[C@@H](OC1=C(OC)C=C(CCCS(=O)(=O)[O-])C=C1)CC2=C(O)C(OC)=CC=C2.[Na+].[Na+]
Compound: Thapsigargicin
SMILES: O=C1OC2C3=C(C(OC(=O)C(=CC)C)C(C3C(OC(=O)C)(C)CC(C2(C1(O)C)O)OC(=O)CCC)OC(=O)CCCCC)C
Compound: Cyclosporin H
SMILES: O=C1N(C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C)C(C(NC(C(NC(C(N(C(C(N(C(C(N(C1C(C)C)C)=O)CC(C)C)C)=O)CC(C)C)C)=O)C)=O)C)=O)CC(C)C)C(C)C)CC(C)C)C)C)CC)C(O)C(CC=CC)C)C
Compound: Polymyxin B nonapeptide
SMILES: O=C1NCCC(NC(=O)C(NC(=O)C(N)C(O)C)CCN)C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(NC(C(NC1C(O)C)=O)CCN)=O)CCN)=O)CC(C)C)CC2=CC=CC=C2)CCN
Compound: Hyaluronic acid sodium
SMILES: [Na+].O=C([O-])C1OC(O)C(O)C(C1OC2OC(C(O)CC2NC(=O)C)CO)O
Compound: Sarafloxacin hydrochloride
SMILES: Cl.FC1=C(N2CCNCC2)C=C3N(C4=CC=C(F)C=C4)C=C(C(C3=C1)=O)C(=O)O
Compound: Piperafizine A
SMILES: O=C1N(C(C(=O)NC1=CC2=CC=CC=C2)=CC3=CC=CC=C3)C
Compound: Cefditoren Sodium Salt
SMILES: S1C2N(C(C(=O)[O-])=C(C1)C=CC=3SC=NC3C)C(=O)C2NC(=O)C(=NOC)C=4N=C(N)SC4.[Na+]
Compound: Sonolisib
SMILES: O=C1OC(C2(C3=C(C4C(C(=O)CC4)(C)CC3OC(=O)C)C(C(=C2C1=CN(CC=C)CC=C)O)=O)C)COC
Compound: Luzopeptin A
SMILES: O=C1OCC(NC(=O)C2=NC=3C(=CC(OC)=CC3)C=C2O)C(=O)N4N=CCC(C4C(=O)NCC(=O)N(CC(=O)N(C(C(=O)OCC(C(N5C(C(NCC(N(CC(N(C1C(O)(C)C)C)=O)C)=O)=O)C(OC(=O)C)CC=N5)=O)NC(=O)C6=NC=7C(=CC(OC)=CC7)C=C6O)C(O)(C)C)C)C)OC(=O)C
Compound: Lateropyrone
SMILES: O=C1OC(=C(O)C=2C1=C(O)C=3C(=O)C=C(C)OC3C2)C(=O)OC
Compound: Netropsin Dihydrochloride
SMILES: Cl.Cl.O=C(NC1=CN(C)C(=C1)C(=O)NCCC(=N)N)C=2N(C=C(C2)NC(=O)CN=C(N)N)C
Compound: Gatifloxacin sesquihydrate
SMILES: FC1=C(N2CC(NCC2)C)C(OC)=C3N(C=C(C(C3=C1)=O)C(=O)O)C4CC4.FC1=C(N2CC(NCC2)C)C(OC)=C3N(C=C(C(C3=C1)=O)C(=O)O)C4CC4.O.O.O
Compound: Spinosyn L
SMILES: O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)O)C)C(=CC3C2CC(=O)OC(CC)CCCC(C1C)OC6OC(C(N(C)C)CC6)C)C
Compound: Ingenol-3-mebutate
SMILES: O=C1C23C=C(C)C(C2(O)C(O)C(=CC1C4C(C)(C)C4CC3C)CO)OC(=O)C(=CC)C
Compound: Nigericin sodium
SMILES: [Na+].O=C([O-])C(C1OC(CCC1C)CC2OC3(OC(C4OC(C5OC(C6OC(O)(C(C)CC6C)CO)CC5C)(C)CC4)(C)CC3C)C(C)C(C2)OC)C
Compound: Ampicillin Sodium Mixture With Sulbactam Sodium
SMILES: S1(=O)(=O)C(C(C(=O)[O-])C2C1CC2=O)(C)C.S1C(C(C(=O)[O-])N2C1C(NC(=O)C(N)C3=CC=CC=C3)C2=O)(C)C.[Na+].[Na+]
Compound: Sch-37137
SMILES: O=C(NCC(N)C(=O)OC(=O)C(N)C)C1OC1C(=O)N
Compound: T2 Toxin Triol
SMILES: O=C(OC1C(=CC2OC3C4(C(C2(C1)CO)(C(O)C3O)C)OC4)C)CC(C)C
Compound: Nitroferroin
SMILES: O=[N+]([O-])C=1C=2C(=NC=CC2)C3=NC=CC=C3C1
Compound: Sarecycline hydrochloride
SMILES: Cl.O=C1C2=C(O)C3=C(O)C=CC(=C3CC2CC4C1(O)C(O)=C(C(=O)C4N(C)C)C(=O)N)CN(OC)C
Compound: Icotinib hydrochloride
SMILES: Cl.O1C=2C(OCCOCCOCC1)=CC3=C(N=CN=C3C2)NC4=CC(C#C)=CC=C4
Compound: 7-AAD
SMILES: O=C1OC(C(NC(=O)C2=C(N)C(=O)C(C)=C3C2=NC4=C(C(=C(N)C=C4C(=O)NC5C(=O)NC(C(=O)N6C(C(=O)N(C)CC(N(C(C(OC5C)=O)C(C)C)C)=O)CCC6)C(C)C)C)O3)C(=O)NC(C(=O)N7CCCC7C(N(CC(N(C1C(C)C)C)=O)C)=O)C(C)C)C
Compound: 24-Epibrassinolide
SMILES: O=C1OCC2C3C(C(C(C(O)C(O)C(C(C)C)C)C)CC3)(C)CCC2C4(C1CC(O)C(C4)O)C
Compound: Streptavidin
SMILES: [Br-].ClC1=CC(C(SCC(=O)O)=[N+]2CCCCC2)=CC=C1
Compound: Cefminox sodium heptahydrate
SMILES: S1C2N(C(C(=O)[O-])=C(C1)CSC3=NN=NN3C)C(=O)C2(OC)NC(=O)CSCC(N)C(=O)O.[Na+].O.O.O.O.O.O.O
Compound: Okadaic acid potassium salt
SMILES: [K+].O=C([O-])C(O)(CC1OC2(OC(C(C=CC3OC4(OC5C(O)C(=C)C(C(O)CC(C6OC7(OCCCC7)CCC6C)C)OC5CC4)CC3)C)CC(=C2)C)C(O)CC1)C
Compound: Fenamidone Metabolite
SMILES: O=C1N(NC2=CC=CC=C2)C(=O)[C@](N1)(C3=CC=CC=C3)C
Compound: Blasticidin S Hydrochloride
SMILES: Cl.O=C1N=C(N)C=CN1C2OC(C(=O)O)C(NC(=O)CC(N)CCN(C(=N)N)C)C=C2
Compound: Neosolaniol
SMILES: O=C(OC1C2(C3(C(C=C(C)C(C3)O)OC(C1O)C24OC4)COC(=O)C)C)C
Compound: Dihydrocytochalasin B
SMILES: O=C1OC23C(=O)NC(C2C(C)C(C(C3C=CCC(C)CCCC(CC1)O)O)=C)CC4=CC=CC=C4
Compound: Doxorubicinol hydrochloride
SMILES: Cl.O=C1C2=C(O)C3=C(CC(O)(C(O)CO)CC3OC4OC(C(O)C(C4)N)C)C(=C2C(=O)C=5C1=C(OC)C=CC5)O
Compound: Isochlortetracycline
SMILES: ClC1=C2C(=C(O)C=C1)C(=O)OC2(C3CC(=O)C4(O)C(O)=C(C(=O)N)C(C(C4C3)N(C)C)=O)C
Compound: Pirarubicin hydrochloride
SMILES: Cl.O=C1C2=C(O)C3=C(CC(O)(C(=O)CO)CC3OC4OC(C(OC5OCCCC5)C(C4)N)C)C(=C2C(=O)C=6C1=C(OC)C=CC6)O
Compound: Wilforlide A
SMILES: O=C1OC2C3(CCC4(C(C3CC1(C2)C)=CCC5C6(C(C(C(O)CC6)(C)C)CCC45C)C)C)C
Compound: Erythromycin A Dihydrate
SMILES: O=C1OC(C(O)(C(O)C(C(=O)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)CC.O.O
Compound: LL-37 (human) trifluoroacetate salt
SMILES: FC(F)(F)C(=O)O.O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CO)CCC(=O)O)C(O)C)CCCNC(=N)N)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)CC(=O)O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCNC(=N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)C(CC)C)CCCCN)CCC(=O)O)CC4=CC=CC=C4)CCCCN)CCCNC(=N)N)C(CC)C)C(C)C)CCC(=O)N)CCCNC(=N)N)C(CC)C)CCCCN)CC(=O)O)CC5=CC=CC=C5)CC(C)C)CCCNC(=N)N)CC(=O)N)CC(C)C)C(C)C)CCC1
Compound: Chelerythrine chloride
SMILES: [Cl-].O1C=2C(=CC3=CC=C4C(=C3C2)[N+](=CC5=C(OC)C(OC)=CC=C45)C)OC1
Compound: Oxysophocarpine
SMILES: O=C1N2C(C3C4[N+]([O-])(CCC3)CCCC4C2)CC=C1
Compound: Azamulin
SMILES: S(C1=NNC(=N1)N)CC(=O)OC2C3(C(CCC4(C3C(=O)CC4)C(C)C(C(C2)(CC)C)O)C)C
Compound: Cecropin B
SMILES: S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCCN)CC=1C2=C(C=CC=C2)NC1)CCCCN)C(C)C)CC3=CC=CC=C3)CCCCN)CCCCN)C(CC)C)CCC(=O)O)CCCCN)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N4C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C)CCCCN)C)CCC(=O)O)CC(C)C)C(C)C)C)C(CC)C)C)CCC4)C)CCCCN)C(C)C)C(CC)C)CC(=O)N)CCCNC(=N)N)C(CC)C)CC(=O)N)CCCNC(=N)N)C
Compound: Cefpodoxime sodium salt
SMILES: S1C2N(C(C(=O)[O-])=C(C1)COC)C(=O)C2NC(=O)C(=NOC)C=3N=C(N)SC3.[Na+]
Compound: Prochloraz Metabolite BTS 40348
SMILES: ClC1=C(OCCNCCC)C(Cl)=CC(=C1)Cl
Compound: Sordarin sodium salt
SMILES: [Na+].O=C([O-])C12C(=CC3C1(CC4C(C2(C=O)C3)CCC4C)COC5OC(C(OC)C(C5O)O)C)C(C)C
Compound: Extracellular Death Factor
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CC(=O)N)CC=1C2=C(C=CC=C2)NC1)CC(=O)N)CC(=O)N
Compound: Nourseothricin sulfate
SMILES: S(=O)(=O)(O)O.O=C1NCC(O)C2C1N=C(NC3OC(C(OC(=O)N)C(C3NC(=O)CC(N)CCCN)O)CO)N2
Compound: PGLa
SMILES: S(CCC(NC(=O)CN)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C)CCCCN)CC(C)C)C)C(C)C)CCCCN)C)C(CC)C)CCCCN)C)C(CC)C)C)C)CCCCN)CO)C)C
Compound: Magainin II
SMILES: S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CN)C(CC)C)CCCCN)CC1=CC=CC=C1)CC(C)C)CC=2NC=NC2)CO)C)CCCCN)CCCCN)CC3=CC=CC=C3)CCCCN)C)CC4=CC=CC=C4)C(C)C)CCC(=O)O)C(CC)C)C(=O)NC(C(=O)NC(C(=O)O)CO)CC(=O)N)C
Compound: Ristocetin sulfate
SMILES: S(=O)(=O)(O)O.O=C1NC2C(=O)NC(C(=O)NC(C(=O)OC)C=3C(C=4C=C2C=CC4O)=C(OC5OC(C(O)C(C5O)O)CO)C=C(O)C3)C(OC6OC(C(O)C(C6)N)C)C7=CC=C(OC8=CC=9C1NC(=O)C%10NC(=O)C(NC(=O)C(N)C=%11C=CC(=C(OC=%12C=C%10C=C(O)C%12C)C%11)O)C(O)C%13=CC=C(OC(C9)=C8OC%14OC(C(O)C(C%14O)O)COC%15OC(C(O)C(C%15O)O)C)C=C%13)C=C7
Compound: Aurodox
SMILES: O=C1N(C=CC(=C1C(=O)C(=CC=CC=CC2OC(C(C(OC)C(=CC=CCNC(=O)C(C3(OC(C=CC=CC)C(C)(C)C(C3O)O)O)CC)C)C)C(C2O)O)C)O)C
Compound: Roxithromycin Impurity C
SMILES: O=C1OC(C(O)(C(O)C(C(=NO)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)N(C)C)C)(O)C)C)C)CC
Compound: (S)-10,11-Dehydrocurvularin
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)O[C@@H](C)CCCC=C1
Compound: Standard Solution Nivalenol
SMILES: O=C1C(=CC2OC3C4(C(C2(C1O)CO)(C(O)C3O)C)OC4)C
Compound: 15-Acetoxyscirpenol
SMILES: O=C(OCC12C3(C4(OC4)C(OC1C=C(C)CC2)C(C3O)O)C)C
Compound: Niphimycin
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CC(CCCC=CCCCNC(=NC)N)C)C
Compound: Cephapirin benzathine
SMILES: S1C2N(C(C(=O)O)=C(C1)COC(=O)C)C(=O)C2NC(=O)CSC3=CC=NC=C3.S1C2N(C(C(=O)O)=C(C1)COC(=O)C)C(=O)C2NC(=O)CSC3=CC=NC=C3.N(CC1=CC=CC=C1)CCNCC2=CC=CC=C2
Compound: Cytochalasin C
SMILES: O=C1C(O)(C=CC(OC(=O)C)C23C(=O)NC(C2C(C)=C(C(C3C=CCC1C)O)C)CC4=CC=CC=C4)C
Compound: Clasto-Lactacystin beta-lactone
SMILES: O=C1NC2(C(=O)OC2C1C)C(O)C(C)C
Compound: Pefloxacin mesylate dihydrate
SMILES: S(=O)(=O)(O)C.FC1=C(N2CCN(C)CC2)C=C3N(C=C(C(C3=C1)=O)C(=O)O)CC.O.O
Compound: Cephalosporin C sodium salt
SMILES: S1C2N(C(C(=O)[O-])=C(C1)COC(=O)C)C(=O)C2NC(=O)CCCC(N)C(=O)O.[Na+]
Compound: Kanamycin acid disulfate
SMILES: S(=O)(=O)(O)O.S(=O)(=O)(O)O.O1C(OC2C(O)C(OC3OC(C(O)C(C3O)O)CN)C(N)CC2N)C(O)C(N)C(C1CO)O
Compound: Bialaphos sodium
SMILES: P(=O)(O)(CCC(N)C(=O)NC(C([O-])=NC(C(=O)O)C)C)C.[Na+]
Compound: Amoxicillin Clavulanate
SMILES: S1C(C(C(=O)O)N2C1C(NC(=O)C(N)C3=CC=C(O)C=C3)C2=O)(C)C.O=C1N2C(C(=CCO)OC2C1)C(=O)O
Compound: Proteinase K
SMILES: P(=O)(OC12N(C(C(=O)OCC3=CC=C([N+](=O)[O-])C=C3)=C(C1(OC4=CC=CC=C4)C)OC5=CC=CC=C5)C(=O)C2C(O)C)(O)O
Compound: Brilacidin
SMILES: FC(F)(F)C1=CC(NC(=O)C2=NC=NC(=C2)C(=O)NC3=C(OC4CNCC4)C(NC(=O)CCCCN=C(N)N)=CC(=C3)C(F)(F)F)=C(OC5CNCC5)C(=C1)NC(=O)CCCCN=C(N)N
Compound: Ophiobolin B
SMILES: O=C1C2C(=CCC3C(O)(C(CCC=C(C)C)C)CCC3(CC2C(C1)(O)C)C)C=O
Compound: 4-Bromo-A23187
SMILES: BrC1=C(NC)C(=C2N=C(OC2=C1)CC3OC4(OC(C(C)CC4C)C(C(=O)C=5NC=CC5)C)CCC3C)C(=O)O
Compound: Kazusamycin B
SMILES: O=C1OC(C=CC(=CC(CC=CC(=CC(C(=O)C(C(O)C(CC(=CC(=O)O)C)C)C)CO)C)C)C)C(C)C=C1
Compound: Anguinomycin A
SMILES: O=C1OC(C=CC(=CC(CC=CC(=CC(C(=O)C(C(O)C(CC(=CC(=O)O)C)C)C)C)C)C)C)CC=C1
Compound: 7-Oxostaurosporine
SMILES: O=C1NC(=O)C2=C1C3=C4N(C5(OC(N6C4=C2C7=C6C=CC=C7)CC(C5OC)NC)C)C8=C3C=CC=C8
Compound: Cecropin P1
SMILES: O=C(NC(C(=O)O)CCCNC(=N)N)C1N(C(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)CC=2C3=C(C=CC=C3)NC2)CC(C)C)CO)CCCCN)C(O)C)C)CCCCN)CCCCN)CC(C)C)CCC(=O)O)CC(=O)N)CO)C)CCCCN)CCCCN)CCCNC(=N)N)C(CC)C)CO)CCC(=O)O)C(CC)C)C)C(CC)C)C)C(CC)C)CCC(=O)N)CCC1
Compound: 5-(3-buten-1-ynyl)-2,2'-bithiophene
SMILES: C=CC#Cc1ccc(s1)-c1cccs1
Compound: T-2 Tetraol
SMILES: O1C2C=C(C(O)CC2(C3(C)C4(C1C(O)C3O)OC4)CO)C
Compound: A83016F
SMILES: O=C(O)C=CC=CC=CC1OC(C(C(OC)C(=CC=CCNC(=O)C(C2(OC(C=CC=CC)C(C)(C)C(C2O)O)O)CC)C)C)CC1O
Compound: N-acetyl-homoserine lactone
SMILES: O=C1OCC[C@@H]1NC(=O)C
Compound: Actagardin
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(C)C)CC)C(CC)C)CCC(=O)O)CC)C)C(C)C)CC=1C2=C(C=CC=C2)NC1)CO)C)CC)C(C)C)C(CC)C)C)C)C
Compound: Anhydroepiophiobolin A
SMILES: O=C1C=C(C)C2C1C(=CCC3C4(OC(C=C(C)C)CC4C)CCC3(C2)C)C=O
Compound: epi-Avermectin B1a
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(OC4OC(C(OC5OC(C(O)C(C5)OC)C)C(C4)OC)C)C(C=CC=C6C7(C1C=C(C(O)C7OC6)C)O)C)C
Compound: delta2-Avermectin B1a
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(OC4OC(C(OC5OC(C(O)C(C5)OC)C)C(C4)OC)C)C(C=CC=C6C7(C1=CC(C(O)C7OC6)C)O)C)C
Compound: A 39183A
SMILES: O=C1C2=C(O)C3=C(O)C=CC=C3C(=C2C(C(=O)C)C(C1)(O)C)C=4C=5C(C(O)=C6C4C(C(=O)C)C(O)(C)CC6=O)=C(O)C=CC5
Compound: Bicyclomycin benzoate
SMILES: O=C1NC2(OCCC(C1(O)NC2=O)=C)C(O)C(O)(COC(=O)C3=CC=CC=C3)C
Compound: Bromamphenicol
SMILES: BrC(Br)C(=O)NC(C(O)C1=CC=C([N+](=O)[O-])C=C1)CO
Compound: Bromothricin
SMILES: BrC1=C(C(=C(OC)C=C1)C(=O)O[C@H]2[C@H](O)[C@H](O[C@H](C2)O[C@H]3[C@H](O)C[C@H](O[C@@H]4[C@H]5C=C[C@H]6CCCCC=C[C@H]7[C@]8(C(=C(OC([C@]6([C@@H]5CCC4)C)=O)C(=O)O8)O)C[C@@H](C)C(=C7)C(=O)O)OC3C)C)C
Compound: Corynecin I
SMILES: O=[N+]([O-])C1=CC=C(C(O)C(NC(=O)C)CO)C=C1
Compound: Corynecin II
SMILES: O=[N+]([O-])C1=CC=C(C(O)C(NC(=O)CC)CO)C=C1
Compound: Corynecin
SMILES: O=[N+]([O-])C1=CC=C(C(O)C(NC(=O)C)COC(=O)C)C=C1
Compound: Drimentine A
SMILES: O=C1N2C3NC=4C=CC=CC4C3(CC5C(=C)CCC6C5(CCCC6(C)C)C)CC2C(=O)NC1CC(C)C
Compound: Drimentine B
SMILES: O=C1N2C3NC=4C=CC=CC4C3(CC5C(=C)CCC6C5(CCCC6(C)C)C)CC2C(=O)N7C1=CCC7
Compound: Drimentine C
SMILES: O=C1N2C3NC=4C=CC=CC4C3(CC5C(=C)CCC6C5(CCCC6(C)C)C)CC2C(=O)N7C1CCC7
Compound: Epi-doramectin
SMILES: O=C1OC2CC3(OC(C4CCCCC4)C(C)C=C3)OC(C2)CC=C(C(OC5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)OC)C)C(C=CC=C7C8(C1C=C(C(O)C8OC7)C)O)C)C
Compound: delta2-Doramectin
SMILES: O=C1OC2CC3(OC(C4CCCCC4)C(C)C=C3)OC(C2)CC=C(C(OC5OC(C(OC6OC(C(O)C(C6)OC)C)C(C5)OC)C)C(C=CC=C7C8(C1=CC(C(O)C8OC7)C)O)C)C
Compound: Doramectin monosaccharide
SMILES: O=C1OC2CC3(OC(C4CCCCC4)C(C)C=C3)OC(C2)CC=C(C(OC5OC(C(O)C(C5)OC)C)C(C=CC=C6C7(C1C=C(C(O)C7OC6)C)O)C)C
Compound: Doramectin aglycone
SMILES: O=C1OC2CC3(OC(C4CCCCC4)C(C)C=C3)OC(C2)CC=C(C(O)C(C=CC=C5C6(C1C=C(C(O)C6OC5)C)O)C)C
Compound: Dihydrospinosyn A aglycone
SMILES: O=C1C2=CC3C4C(CC(C4)O)CCC3C2CC(=O)OC(CC)CCCC(C1C)O
Compound: Diacetylcercosporin
SMILES: O=C1C2=C(O)C(OC)=C(CC(OC(=O)C)C)C=3C2=C4C5=C6C(=C(O)C(=C(C36)CC(OC(=O)C)C)OC)C(=O)C=C5OCOC4=C1
Compound: Epiequisetin
SMILES: O=C1N(C(CO)C(C1=C(O)C2(C(C=CC3C2CCC(C3)C)C=CC)C)=O)C
Compound: Erythromycin A N-oxide
SMILES: O=C1OC(C(O)(C(O)C(C(=O)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)[N+]([O-])(C)C)C)(O)C)C)C)CC
Compound: Eprinomectin B1a
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(CC)C)OC(C2)CC=C(C(OC4OC(C(OC5OC(C(NC(=O)C)C(C5)OC)C)C(C4)OC)C)C(C=CC=C6C7(C1C=C(C(O)C7OC6)C)O)C)C
Compound: Eprinomectin B1b
SMILES: O=C1OC2CC3(OC(C(C)C=C3)C(C)C)OC(C2)CC=C(C(OC4OC(C(OC5OC(C(NC(=O)C)C(C5)OC)C)C(C4)OC)C)C(C=CC=C6C7(C1C=C(C(O)C7OC6)C)O)C)C
Compound: Spinetoram J
SMILES: O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OCC)C)CCC3C2CC(=O)OC(CC)CCCC(C1C)OC6OC(C(N(C)C)CC6)C
Compound: Spinetoram L
SMILES: O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OCC)C)C(=CC3C2CC(=O)OC(CC)CCCC(C1C)OC6OC(C(N(C)C)CC6)C)C
Compound: 3-Ethoxy-5,6-dihydro-spinosyn J 17-pseudoaglycone
SMILES: O=C1C2=CC3C4C(CC(C4)OC5OC(C(OC)C(C5OC)OCC)C)CCC3C2CC(=O)OC(CC)CCCC(C1C)O
Compound: 3-Ethoxy-spinosyn L 17-pseudoaglycone
SMILES: O=C1C2=C[C@H]3[C@H]4[C@@H](C[C@H](C4)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@H]5OC)OCC)C)C(=C[C@H]3[C@@H]2CC(=O)O[C@@H](CC)CCCC(C1C)O)C
Compound: Germicidin
SMILES: O=C1OC(=CC(=C1CC)O)[C@H](CC)C
Compound: 4-Hydroxyalternariol
SMILES: O=C1OC2=C(O)C(O)=CC(=C2C=3C1=C(O)C=C(O)C3)C