MonarchInit/C3PO huggingface dataset:
Compound: Phomalairdenol B
SMILES: O[C@H]1C=C[C@@]23[C@@]1(C[C@@](CO)(C)[C@@H]2CC[C@H]3C)C
Compound: Penicillithiophenol A
SMILES: S(C1=C(O)C=CC(=C1)CC(=O)OCC)C2=C(O)C=CC(=C2)CC(=O)OCC
Compound: Mannosylxylarinolide
SMILES: O=C1OC[C@@H]2CC=C3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H]([C@@H](O)[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@@H]5O)O)CO)[C@@H](C(C)C)C)C)C
Compound: Pestalotioprolide F
SMILES: O=C1O[C@H](CCC[C@@H](O)C=CC=C[C@H](C=C1)O)C
Compound: Quadricinctone D
SMILES: O=C1C2=C(O[C@@](C1)(CO)C)C=CC(=C2)C(=O)O
Compound: SMTP-3
SMILES: O=C1N(C(C(=O)O)CO)CC2=C1C=C(O)C3=C2OC(C(O)C3)(CC/C=C(/CCC=C(C)C)\C)C
Compound: methyl 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate
SMILES: O=C(OC)C1=CC(OC(=O)[C@H](CO)C)=C(OC)C=C1
Compound: Butyl lucidenate D2
SMILES: O=C1C2=C(C(=O)CC3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)[C@@H](CCC(=O)OCCCC)C)C
Compound: Canescenin A
SMILES: O=C1OCC2=C(C(O)=CC(=C2)C)OC3=C1C=CC(=C3OC)[C@@H](OC(=O)C)CC(O)(C)C
Compound: 3,7,11-trimethyl-2,6,10-triene-1,14-tetradecyl dioic acid
SMILES: O=C(O)/C=C(/CC/C=C(/CC/C=C(/CCC(=O)O)\C)\C)\C
Compound: Axinelline A
SMILES: O=C(N[C@H](C(=O)OCC)CO)C1=C(O)C(O)=CC=C1
Compound: Pestalotioprolide G
SMILES: O=C1O[C@H](CCC[C@@H](O)C=CC=CC(CC1)=O)C
Compound: Xylarinonericin A
SMILES: O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC(=O)[C@]23C(=C[C@@H]4[C@]2(C[C@H]5[C@H]([C@]3(C=O)C4)CC[C@H]5C)CO)C(C)C)(O)C
Compound: 14-epi-isochaetominine C
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@@H]3C(=O)N4[C@@H]5N(C([C@@H]4C(C)C)=O)C6=C([C@@]5(C3)O)C=CC=C6
Compound: E-beta-trans-5,8,11-trihydroxybergamot-9-ene
SMILES: O[C@]12[C@]([C@H](C(=C)CC1)C2)(C(O)/C=C/C(O)(C)C)C
Compound: Canescenin B
SMILES: O=C1[C@@](O)(C(=O)[C@H](OC(=O)C(CC)C)O[C@]1(C(=O)OC)C)C
Compound: Pestalotioprolide H
SMILES: O=C1O[C@H](CCC[C@@H](OC)C=CC=CC(CC1)=O)C
Compound: Fusaproliferin
SMILES: O=C1C(O)=C(C(COC(=O)C)C)C2C1(CC=C(CCC=C(C)CCC(C(=CC2)C)O)C)C
Compound: Alantryleunone
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5N[C@H](CC(C)C)C7=O)=O)C
Compound: beta-trans-2beta,5,15-trihydroxybergamot-10-ene
SMILES: O[C@]1([C@H]2[C@@]([C@](O)(C2)CC1)(CCC=C(C)C)C)CO
Compound: Pseudodesmin A
SMILES: O=C1O[C@@H]([C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCC)CC(C)C)CCC(=O)N)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CO)=O)CC(C)C)=O)CO)CC(C)C)C(C)C)C
Compound: Phomone A
SMILES: ClC1=C(O)C(C(=O)O[C@@H]2C(=O)C(=C[C@H]([C@H]2O)O)CO)=CC=C1
Compound: Cinatrin C2
SMILES: O=C1O[C@@H](C(=O)O)[C@]([C@H]1[C@@H](O)CCCCCCCCCCC)(O)C(=O)O
Compound: Emestrin H
SMILES: S([C@]1(NC(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=COC3)CC4=CC=CC=C4)C
Compound: Tirandamycin A
SMILES: O=C1[C@H]2O[C@@](O[C@@H]([C@H]2C)[C@@H](/C=C(/C=C/C(/O)=C/3\C(=O)NCC3=O)\C)C)(C)[C@@]4([C@H]1O4)C
Compound: Asteltoxin E
SMILES: O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)\C)/C=C/C=C/C=C/C2O[C@H]3O[C@H](CC)[C@@]([C@]3([C@H]2O)C)(O)C
Compound: Phomone B
SMILES: O=C1O[C@@](C(=O)[C@@H]([C@@H](O)C)C)(C)C=2C1=C(O)C(=C(O)C2)C
Compound: Pretubulysin A
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C[C@@H](C(=O)O)C)CC[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)C)C(C)C
Compound: Emodin-3-O-sulphate
SMILES: S(=O)(=O)(OC1=CC(O)=C2C(=O)C=3C(O)=CC(=CC3C(C2=C1)=O)C)O
Compound: Emestrin I
SMILES: S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(O)=C(OC)C=C4)C=COC3)C)CC5=CC=CC=C5)C
Compound: Asteltoxin F
SMILES: O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)\C)/C=C/C=C/C=C/C2O[C@H]3O[C@H](C)[C@@]([C@]3([C@H]2O)C)(O)C
Compound: (+)-applanatumol U
SMILES: O=C1O[C@@H](C2=C(O)C=CC(=C2)O)C=C1CCC=C(CO)C
Compound: N-(12-methyl-10-oxobutyl)-L-tyrosine methyl ester
SMILES: O=C(OC)[C@@H](NC(=O)CC(C)C)CC1=CC=C(O)C=C1
Compound: Streptcytosine D
SMILES: O=C1N=C(NC(=O)C=C(C)C)C=CN1[C@@H]2O[C@@H]([C@@H](O)CC2)C
Compound: Simocyclinone D8
SMILES: ClC1=C2OC(=O)C(NC(=O)/C=C/C=C/C=C/C=C/C(=O)O[C@H]3[C@H](OC(=O)C)[C@H](O[C@H](C3)C4=C(O)C5=C(C(=O)C67C8(O)C(=O)C=C(C)CC8(O)CC(C7(C5O)O6)O)C=C4)C)=C(C2=CC=C1O)O
Compound: 7-hydroxy-2-(2-hydroxypropyl)-5-pentyl chromone
SMILES: O=C1C2=C(OC(=C1)C[C@@H](O)C)C=C(O)C=C2CCCCC
Compound: Streptpyrone A
SMILES: O=C1OC(=CC(=C1)C)CC2=CC=CC=C2
Compound: Emestrin J
SMILES: S1S[C@]23N([C@@H]4[C@@H](OC(=O)C5=CC(O)=C(OC)C=C5)C=COC=C4C2)C([C@@]1(N(C)C3=O)CC6=CC=CC=C6)=O
Compound: Citreopenin
SMILES: O=C1C(O)=C([C@]2(CC3=C(C)C(NC3=CC2=C1)=O)C)C
Compound: Thomimarine A
SMILES: O=C1C=C([C@H]2C[C@@H](C(O)(CO)C)CC[C@]2(C1)C)C
Compound: methyl 7alpha-acetoxydeacetylbotryoloate
SMILES: O=C(OC)[C@@H]1[C@]2(O)[C@]([C@H](OC(=O)C)C([C@@H]2[C@@H](O)C[C@H]1C)(C)C)(CO)C
Compound: Asperochrin D
SMILES: O=C1O[C@H](C)[C@H](C1=C[C@@H](O)[C@@H](O)C)O
Compound: Haliamide
SMILES: O=C(NC(/C=C/C=C(/CC(C=C)C)\C)C)C1=CC=CC=C1
Compound: Emestrin K
SMILES: S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(O)=C(OC)C=C4)C=CC3)C)CC5=CC=CC=C5)C
Compound: 4,6,4',6'-Tetrabromo-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether
SMILES: BrC1=C(OC2=C(Br)C(=C(Br)C(=C2)O)C)C=C(O)C(=C1C)Br
Compound: Penicitrinine A
SMILES: O=C1N([C@@]2(OC3=C4C(=C(C)C(=C3)O)[C@H](C)[C@H](O[C@@H]4[C@H]2C)C)C(=C1C(=O)C(CCCCCC)C)O)C
Compound: Asperochrin F
SMILES: O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C(O)=CC2)C
Compound: Annullatin A
SMILES: O=CC1=C(C=CC2=C1O[C@@H](C(O)(C)C)C2)CCCCC
Compound: Aspergstrebetain
SMILES: O=C1N[C@]23C(=O)O[C@H]4O[C@@]1(C(=O)[C@](C[C@H]5[C@]2(CC=C(C(O)(C)C)C(=C5C)C(=O)OC)C)(C)[C@@H]34)C
Compound: Chloropreubetaomerin A
SMILES: Cl[C@@H]1C(=O)C2=C(O)C=CC3=C2[C@]4([C@@H]1O)OC5=C6C(C(=O)C[C@H]([C@]6(O4)O3)OC)=CC=C5
Compound: Asperochrin E
SMILES: O=C1O[C@H](C)[C@H]2[C@@H]1C[C@@](O)(C(O)C)O2
Compound: Oxirapentyn F
SMILES: O=C(O[C@H]1C(O[C@H]2[C@H](O)[C@@](O)(C#CC(=C)C)[C@H]([C@H]3[C@]2(C1)O3)O)(C)C)C
Compound: Indocarbazostatin C
SMILES: O=C1NC(=O)C2=C1C3=C4N([C@]5(O[C@@H](N6C4=C2C7=C6C=CC=C7)C[C@@]5(O)C(=O)OC)C)C8=C3C=C(O)C=C8
Compound: Trichamide
SMILES: S1C2=NC(=C1)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(NC(C4=NC(C(NC2CO)=O)=CS4)CC(C)C)=O)CCCN=C(N)N)=O)CCC3)=O)CC=5NC=NC5)CC(C)C)CC(=O)O
Compound: Corynenone A
SMILES: O=C1C2=C(O)C(OC)=C(O)C=C2[C@H](O)[C@H](C1)O
Compound: Chloropreubetaomerin B
SMILES: Cl[C@@H]1C(=O)C2=C(O)C=CC3=C2[C@]4([C@@H]1OC)OC5=C6C(C(=O)C[C@H]([C@]6(O4)O3)OC)=CC=C5
Compound: O-Methyltyrosol acetate
SMILES: O=C(OCCC1=CC=C(OC)C=C1)C
Compound: 11-hydroxy-gamma-dodecalactone
SMILES: O=C1O[C@@H](CCCCCCC(O)C)CC1
Compound: Arylomycin B4
SMILES: O=[N+]([O-])C1=C(O)C=2C3=C(O)C=CC(=C3)C(N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](N(C(=O)CCCCCCCCC(CC)C)C)CO)C)C)C(=O)N[C@H](C(NC(CC(=C1)C2)C(=O)O)=O)C
Compound: 2-hydroxy-1-(5-(hydroxymethyl)furan-2-yl)propan-1-one
SMILES: O=C(C=1OC(CO)=CC1)[C@@H](O)C
Compound: Corynenone B
SMILES: O=C1C2=C(O)C(OC)=C(O)C=C2[C@@H](O)[C@H](C1)O
Compound: Termitomycesphin E
SMILES: O=C(N[C@H]([C@H](O)/C=C/CCC(O)C(CCCCCCCCC)C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCC
Compound: Aldgamycin J
SMILES: O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2CCC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]([C@H]3O)(O)[C@@H](O)C)C)C)(O)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C
Compound: Viburspiran
SMILES: O=C1OC(=O)[C@H]2[C@@]13[C@H](O)[C@H](C[C@H]4C(=O)OC(C4([C@@H]2CCCCC)CC3)=O)C
Compound: Tolyporphin H
SMILES: O=C1C2=NC(C1(OC(=O)C)C)=CC=3NC(C=C4N=C(C=C5NC(=C2)C=C5C)C(O)(C4=O)C)=C(C3)C
Compound: Daedatrin K
SMILES: O1[C@H](OC/C=C(/CC/C=C(/CCC(O)C(O)(C)C)\C)\C)[C@H](O)[C@H](O)[C@@H](C1)O
Compound: Corynesidone E
SMILES: O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(O)C(=C3)OC)C
Compound: Aldgamycin K
SMILES: O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]([C@H]3O)(O)[C@@H](O)C)C)C)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C
Compound: Bistachybotrysin K
SMILES: O1[C@@H]2O[C@@H]([C@H](O)C3=C2C=4O[C@]5([C@@]6([C@H](C([C@H](O)CC6)(C)C)CC[C@H]5C)C)CC4C(=C3)O)C7=C(C1)C=C(O)C8=C7O[C@]9([C@@]%10([C@H](C([C@H](O)CC%10)(C)C)CC[C@H]9C)C)C8
Compound: 1962-A
SMILES: O=C1O[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(NCC(N[C@@H]1CC(C)C)=O)=O)CC2=CC=C(O)C=C2)C(C)C)CC(C)C
Compound: Parmoether A
SMILES: O=C(OC)C1=C(O)C(=C(O)C(=C1C)CC2=C(O)C(OC3=C(C(=CC(=C3C=O)O)C)C(=O)OC)=C(C)C=C2O)C
Compound: Actinoramide A
SMILES: O=C1N(C(=O)N)CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C
Compound: Conio-azasterol
SMILES: O=C1C2=C(O)C=3N[C@]45[C@@](C=6C([C@H]7[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC7)(C)CC6)=C[C@@H]4OC3C=8C2=C(C(C)=CC8O)C(=C1)OCC=C(C)C)(CC[C@@H](C5)O)C
Compound: Aldgamycin L
SMILES: O=C1O[C@@H]([C@H](C=CCCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@]([C@H]2O)(O)[C@@H](O)C)C)C)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H]([C@H]3OC)OC)C)C
Compound: Resinacein T
SMILES: O=C1C2=C([C@@]3([C@@H](O)C=C([C@]3(C1)C)[C@@H](CO)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Melleolide I
SMILES: ClC1=C(OC)C=C(O)C(=C1C)C(=O)O[C@H]2[C@@]3(O)C(=C[C@@H]4CC([C@@H]([C@@H]4[C@@]3(C)C2)O)(C)C)CO
Compound: Lachnone D
SMILES: O=C1C2=C(O[C@]([C@@H]1O)([C@H]3OC(=O)CC3)C)C=C(CO)C=C2O
Compound: Phellinignincisterol C
SMILES: O=C1O[C@@]2(O)CC[C@]3([C@H](C2=C1)CC[C@@H]3[C@@H](C=C[C@@H](C(O)(C)C)CO)C)C
Compound: Nocapyrone T
SMILES: O=C1OC(C(=O)C)=CC=C1CC
Compound: Aldgamycin M
SMILES: O=C1O[C@@H]([C@H](C=CCCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@]3([C@H]2O)OC(=O)O[C@H]3C)C)C)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C
Compound: S-dehydroazasirosterol
SMILES: O=C1C=2N[C@]34[C@@](C=5C([C@H]6[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC6)(C)CC5)=C[C@@H]3OC2C=7C(O)=CC(=C8C7C1=C(O)C=9C([C@H](C)OC89)(C)C)C)(CC[C@@H](C4)O)C
Compound: Nigerasterol A
SMILES: O1O[C@]23C=CC=4[C@@]1([C@]3(CC[C@@H](C2)O)C)CC[C@]5(C4[C@@H](O)C[C@@H]5[C@@H](/C=C/C(C(C)C)C)C)C
Compound: (4S,4aR,9aR)-4a-carbomethoxy-1,4,4a,9a-tetrahydro-4,8-dihydroxy-6-methylxanthone
SMILES: O=C1C2=C(O[C@@]3([C@H]1CC=C[C@@H]3O)C(=O)OC)C=C(C)C=C2O
Compound: Phenylbutenote
SMILES: O=C(OCCC1=CC=C(O)C=C1)C/C=C/C2=CC=CC=C2
Compound: Ulbactin G
SMILES: S1C(=N[C@H](C1)[C@@H]2SC[C@H]3N2C(=O)[C@H]4N(C)[C@@H]3SC4)C5=C(O)C=CC=C5
Compound: 4,9-dihydroxy-6-methyl-7-(3-methylbut-2-enoxy)phenalene-1,2,3-trione
SMILES: O=C1C(=O)C=2C=3C(C(OCC=C(C)C)=CC2O)=C(C)C=C(C3C1=O)O
Compound: YM-193221
SMILES: O=C(C(N(C)C)CC1=CC=C(O)C=C1)CC/C=C/C(CC(CC)C)C
Compound: Aldgamycin N
SMILES: O=C1O[C@@H]([C@H](C=CCCC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@]([C@H]2O)(O)[C@@H](O)C)C)C)(O)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H]([C@H]3OC)OC)C)C
Compound: Enniatin O3
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(C)C)C)=O)C(CC)C)=O)CC(C)C)C)C(C)C)C(C)C)C)C(C)C
Compound: CK13a
SMILES: O=C1OC([C@@H](C)C([C@H]1C)=O)[C@H]([C@H](O)CC)C
Compound: 7-isopropenyl-4-methyl-azulene-1-carboxylic acid
SMILES: O=C(O)C1=C2C(=C(C=CC(=C2)C(=C)C)C)C=C1
Compound: (14S)-4,9-dihydroxy-8-imino-2,13,13,14-tetramethyl-6,15-dioxatetracyclo[8.6.1.05,17.012,16]heptadeca-1(17),2,4,9,12(16)-pentaene-7,11-dione
SMILES: O=C1OC2=C3C(=C(C)C=C2O)C=4O[C@@H](C)C(C4C(C3=C(C1=N)O)=O)(C)C
Compound: Cosmomycin B
SMILES: O=C1C2=C(O)C3=C([C@@H](O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)[C@H](C5)O)C)[C@H](C4)N(C)C)C)[C@@](O)(CC)CC3)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: Aldgamycin O
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)[C@](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@]([C@H]2O)(O)[C@@H](O)C)C)C)(O)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H]([C@H]3OC)OC)C)C
Compound: clobetasol
SMILES: [H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Compound: Wickerol B
SMILES: O[C@@]1([C@@H]2[C@H]3[C@@]4(C([C@@H]([C@@H](O)C[C@H]4C)C[C@]3(C)CC2)(C)C)CC1)C
Compound: 7-(1-hydroxyethyl)-4-methyl-1-azulenecarboxaldehyde
SMILES: O=CC1=C2C(=C(C=CC(=C2)[C@@H](O)C)C)C=C1
Compound: Eleganketal A
SMILES: O=C1C2=C(O)C(O)=C(O)C(=C2CO[C@@]13OCC=4C3=C(O)C(O)=C(O)C4C)C
Compound: Acaromycin A
SMILES: O=C1C=2O[C@@H]([C@H](O)[C@@H](C2C(=O)C3=C1C=CC(=C3)O)O)C
Compound: Chaetoglobosin Z
SMILES: O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](C)[C@@H](C2=O)C)CC=4C5=C(C=CC=C5)NC4)C)C
Compound: Mangiferaelactone
SMILES: O=C1O[C@H]([C@H](O)[C@H](O)C=C[C@@H](CC1)OC(=O)CCC(=O)O)CCCCCCC
Compound: Phebestin
SMILES: O=C(O)C(NC(=O)C(NC(=O)C(O)C(N)CC1=CC=CC=C1)C(C)C)CC2=CC=CC=C2
Compound: Myxotrichin C
SMILES: O=C1C2=C(OC3=C1COC(=C3)C)C=C(O)C(=C2)O
Compound: Penibenzone A
SMILES: O=C(C1=C(OC)C(=CC=C1O)[C@@H](OC(=O)C)CC(C)C)C2=C(O)C=C(C)C=C2C=O
Compound: Acaromyester A
SMILES: S1C(=C(C)N=C1)CCOC(=O)CC2=CC=C(O)C=C2
Compound: Bartoloside E
SMILES: ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCCC(Cl)CCCC)C=C1O)CCCCCC
Compound: Pleosporallin F
SMILES: O=C1O[C@@H](OC)C2=C1C=C(OCC=C(C)C)C(=C2OC)C
Compound: RHM2
SMILES: O=C(O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C)CCC(=O)N)C(C)C)C)CC(C)C)C(C)C)C)C(CC)C)C)C(CC)C)C)C(CC)C)C)C(CC)C
Compound: Daldinin D
SMILES: O=C1C=2C(=CC([C@@]1(OC(=O)C)C)=O)[C@@H](OC(=O)C)[C@]3(O[C@H](CC[C@H]3OC(=O)C)C)OC2
Compound: Penibenzone B
SMILES: O=C(C1=C(OC)C(=CC=C1O)[C@@H](OC)CC(C)C)C2=C(O)C=C(C)C=C2C=O
Compound: Pseudellone D
SMILES: S([C@]1(NC(=O)[C@H](C)NC1=O)CC=2C3=C(C=CC=C3)NC2)C
Compound: Bartoloside F
SMILES: ClC(CCCCCC1=CC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)=C(CCCCCC(Cl)CCCCCC)C(=C1)O)CCCCCCCC
Compound: Neocyclocitrinol B
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C/[C@H](O)[C@@H](O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Penibenzone C
SMILES: O=C1OCC=2C1=C(O)C(=C(O)C2C=O)C
Compound: 1-hydroxyboivinianin A
SMILES: O=C1O[C@](C2=C(O)C=C(C)C=C2)(C)CC1
Compound: 3-hydroxy-2-(hydroxymethyl)-4-tetradecanoyl-2H-furan-5-one
SMILES: O=C1O[C@@H](CO)C(=C1C(=O)CCCCCCCCCCCCC)O
Compound: (5S, 6S)-dihydroxylasiodiplodin
SMILES: O=C1O[C@H](C[C@@H](O)[C@H](O)CCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Bartoloside G
SMILES: ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCCCCCCCCC)C=C1O)CCCCCC
Compound: Saliniquinone F
SMILES: O=C1C2=C3OC(=CC(C3=C(CO)C=C2C(=O)C=4C1=C(O)C=CC4)=O)[C@@](O)(CC=C)C
Compound: Terrestric acid
SMILES: O=C/1O[C@H](C)C(\C1=C\2/O[C@@H](CC)CC2)=O
Compound: Acetyl Sumiki's acid
SMILES: O=C(O)C=1OC(COC(=O)C)=CC1
Compound: N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
SMILES: N#CN(C=1N=CN(C1C#N)C)C
Compound: Dihydrobipolaroxin B
SMILES: O1[C@@]2(OC)C=C3C=C[C@H](O)[C@@H]([C@@]3(C)C[C@@]2(O)C(C1)=C)C
Compound: Bartoloside H
SMILES: ClC(CCCCCC1=CC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)=C(CCCCCC(Cl)CCCCCC)C(=C1)O)CCCCCCCCC
Compound: 3,7-dimethyl-9-(-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
SMILES: O1C(OC(C1(C)C)CCC(=CCC[C@@](O)(C=C)C)C)(C)C
Compound: Dihydrobipolaroxin C
SMILES: O=C1C=C2C=C[C@H](O)[C@@H]([C@@]2(C)C[C@@]1(O)C(=C)CO[C@@]34OCC([C@]3(O)C[C@]5(C(=C4)C=C[C@H](O)[C@@H]5C)C)=C)C
Compound: Be-52211
SMILES: O=C(NC[C@@H](O)CCC/C=C(/C=C(\C1=C(C=C(C)C=C1)/C=C/CO)/C)\C)C
Compound: Amycolactam
SMILES: O=C1N[C@@H](CC=2C3=C(C=CC=C3NC2)CC=C(C)C)[C@H]([C@H]1O)O
Compound: 2-[(4R,5S,6S,7R,9R,10R,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
SMILES: O=C1O[C@@H](CC=CC=C[C@H](O[C@@H]2O[C@@H]([C@@H](N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](C1)O)OC)O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@H](O)[C@@](C4)(O)C)C)[C@@H]([C@H]3O)N(C)C)C)CC=O)C)C
Compound: Bartoloside I
SMILES: ClC(Cl)(CCCCCC1=CC(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)=C(CCCCCC(Cl)CCCCCC)C(=C1)O)CCCCCCC
Compound: 1-keto-4alpha,15-epoxyeudesm-11-ol
SMILES: O=C1[C@]2([C@H]([C@]3(OC3)CC1)C[C@H](C(O)(C)C)CC2)C
Compound: Dihydrobipolaroxin D
SMILES: O=C1C=C2C=CC(=O)[C@@H]([C@@]2(C)C[C@@]1(O)C(=C)CO)C
Compound: (E)-13-(O-tolyl)tridec-12-enoic acid
SMILES: O=C(O)CCCCCCCCCC/C=C/C1=C(C=CC=C1)C
Compound: Graphislactone H
SMILES: O=C1OC2=C(OC)C(OC)=CC(=C2C=3C1=C(O)C=C(OC)C3)C
Compound: Bartoloside J
SMILES: ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCCCCCCC)C=C1O)CCCCCC
Compound: 5-methoxyaminomethyl-2-thiouridine
SMILES: CONCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O
Compound: Iedoglucomide A
SMILES: O=C(O)[C@@H](NC(=O)CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)COC(=O)CCC(=O)O)C(C)C)C
Compound: Naseseazine A
SMILES: O=C1N2[C@@H](C(=O)N[C@@H]1CC=3C4=C(C=C([C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H](C)NC([C@H]8C6)=O)C=C4)NC3)CCC2
Compound: 13(a)-Acetoxy-anhydroisoheximide
SMILES: O=C1/C(=C/CC2CC(=O)NC(C2)=O)/C[C@@](OC(=O)C)(C)C[C@H]1C
Compound: Rhodopeptin B5
SMILES: O=C1N[C@@H](CC(=O)NCC(N[C@H](C(N[C@H]1C(C)C)=O)CCCCN)=O)CCCCCCCCCC(C)C
Compound: Bartoloside K
SMILES: ClC(CCCCCC1=C(O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)C=C(CCCCCC(Cl)CCCCCC)C=C1O)CCCCCC
Compound: Phomo-2,3-dihydrochromone
SMILES: O=C1C2=C(OCC1=C3OC(=O)C(=C3)C)C=C(OC)C=C2O
Compound: Halichoblelide D
SMILES: O=C1O[C@@H]([C@H](C=CC=CC(=O)O[C@@H]([C@H](C=CC=C1)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](CC)[C@@H](C2)OC)C)O)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@@H](CC)[C@@H](C3)O[C@@H]4O[C@H]([C@@H](O)[C@H](C4)O)C)C)O)C)C
Compound: 2-[2-[[2-amino-4-(S-methyl-N-phosphonosulonimidoyl)butanoyl]amino]propanoylamino]propanoic acid
SMILES: S(=O)(=NP(=O)(O)O)(CCC(N)C(=O)NC(C(=O)NC(C(=O)O)C)C)C
Compound: 13(b)-Acetoxy-anhydroisoheximide
SMILES: O=C1/C(=C/CC2CC(=O)NC(C2)=O)/C[C@](OC(=O)C)(C)C[C@H]1C
Compound: Geopyxin E
SMILES: O=C1C(=C)[C@@H]2CC[C@@H]3[C@@]1([C@@H](O)C[C@@H]4[C@](C(=O)O)(C[C@@H]([C@@H]([C@@]34C)O)O)C)C2
Compound: 5-methoxycarbonylmethyl-2-thiouridine
SMILES: COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O
Compound: Microcyclamide MZ602
SMILES: S1C2=NC(=C1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]2[C@H](CC)C)=O)[C@H](O)C)=O)CC3=CC=CC=C3)[C@H](O)C
Compound: Chlorotheolide A
SMILES: Cl[C@]12C(OC)=C[C@]3(C(=O)OC)[C@]4([C@]1(OC=C([C@@]2(C(=O)OC)C3)CCCCCCC)O)OC(=O)C=5C(O)=CC(=CC5O4)C
Compound: (S)-6-(sec-butyl)-3-isopropylpyrazin-2(1H)-one
SMILES: O=C1NC(=CN=C1C(C)C)[C@H](CC)C
Compound: Erubescensoic acid
SMILES: O=C1C2=C(OC3=C1CO[C@H](C3)C)C=C(O)C=C2C(=O)O
Compound: Aspernolide A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)CC3)C=C2)C(=C1O)C4=CC=C(O)C=C4
Compound: Calcaride C
SMILES: O=C1O[C@@H](CC(=O)OC[C@@H](O)CC(=O)O[C@@H](CC=2C(C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)=C(O)C=C(O)C2)C)C
Compound: Chlorotheolide B
SMILES: Cl[C@]12C(OC)=C[C@](C(=O)OC)([C@]3(C1=O)OC(=O)C=4C(O)=CC(=CC4O3)C)C[C@]25C(=O)OC=C5CCCCCCC
Compound: Chaetomugilin N
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3[C@H](C(=O)/C(=C/C)/C)C(O[C@@]3(C1=O)C)=O
Compound: Peyronetide A
SMILES: O=C1C2=C(O)C=3C(=CC(/C(=C/[C@H](CC)C)/C)=NC3)C=C2C=C([C@@]1(O)CC(=O)C)OC
Compound: (S)-3-(sec-butyl)-6-isopropylpyrazin-2(1H)-one
SMILES: O=C1NC(=CN=C1[C@H](CC)C)C(C)C
Compound: 5-methoxycarbonylmethyluridine
SMILES: COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Compound: Glutathionylspermidine I
SMILES: SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCN
Compound: Xylarioic acid B
SMILES: O=C(O)C(C(O)C(O)(C(O)C(CC)C)C)C
Compound: Peyronetide B
SMILES: O=C1C2=C(O)C(=C3C=C(OC3=C2C=C([C@@]1(O)CC(=O)C)OC)/C(=C/[C@H](CC)C)/C)C=O
Compound: Stachybotrysin
SMILES: O=C(/C=C/C1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)C2)CO)C
Compound: U43795
SMILES: ClC1=NO[C@@H]([C@@H]1O)C(N)C(=O)O
Compound: (S)-6-(sec-butyl)-3-isobutylpyrazin-2(1H)-one
SMILES: O=C1NC(=CN=C1CC(C)C)[C@H](CC)C
Compound: Guignarderemophilane A
SMILES: O=C1C(O)=C[C@@]2([C@H]([C@@H](OC(=O)C)[C@H](CC2=C1)O)C)C
Compound: Berninamycin B
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C(=O)N/C(/C=3OC(C)=C(N3)C(=O)NC(C(=O)N[C@@H](C(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)=C\C)[C@H](O)C
Compound: Peyronetide C
SMILES: O=C1OC(/C(=C/[C@H](CC)C)/C)=CC=2C1=C(O)C3=C(C=C(OC)[C@@](C3=O)(O)CC(=O)C)C2
Compound: Stachybotrylactone B
SMILES: O=C1OCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)CC3=C(O)C2
Compound: Deoxymutaaspergillic acid
SMILES: O=C1NC(=CN=C1CC(C)C)C(C)C
Compound: Pladienolide F
SMILES: O=C1OC(/C(=C/C=C/C(O)(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(O)C(CCC(C1)O)(O)C)C
Compound: Trichodin B
SMILES: O=C1NC=C(C2=CC=C(O[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)C=C2)C4=C1[C@H]5[C@@H](C[C@H](C)C[C@@H]5C)[C@@H](O4)C
Compound: Neoxaline
SMILES: O=C1N2/C(/C(=O)N[C@@]23N(OC)C=4C=CC=CC4[C@@]3(C(C=C)(C)C)CC1O)=C/C=5NC=NC5
Compound: Peyronetide D
SMILES: O=C1C2=C(OC(=C1)/C(=C/[C@H](CC)C)/C)C=C(O)C=C2CC(=O)O
Compound: Allantonaphthofuran A
SMILES: O1C2=C(C(O)=C(O)C(=C2C3=C1C4=C(O)C=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6
Compound: Aspartocin D
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(N[C@@H](C(N[C@H](C(N3[C@H](C(NC([C@@H]1NC(=O)[C@@H](NC(=O)CC=CCCCCCC(C)C)CC(=O)O)C)=O)CCC3)=O)C(C)C)=O)C(N)C)=O)CC(=O)O)CC(=O)O)C(C(=O)O)C)CCCC2
Compound: N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNCC1(O[C@H](CO)[C@H]([C@@H]1O)O)O)CCC(=O)NCCCCCN(O)C(=O)C
Compound: Staphyloamide B
SMILES: O=C1N[C@H](C(=O)N2[C@@]1(O)CCC2)C(C)C
Compound: Melithiazol E
SMILES: S1C(=NC(=C1)/C=C/C(OC)C(/C(/OC)=C\C(=O)OC)C)C=2N=C(C(C)C)SC2
Compound: 4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione
SMILES: O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@@H]4OC)OC)C)=CC3C)C=C2C(=O)C5(C1(O)C(=O)C=C(OC)C5O)O
Compound: Allantonaphthofuran B
SMILES: O1C2=C(C(O)=C(O)C(=C2C3=C1C4=C(O)C=CC(=C4C=C3)C5=C(OC)C(=C(O)C(=C5C6=CC=CC=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
Compound: Rigidiusculamide D
SMILES: O=C1N([C@@H](CC2=CC3=C(OC(C3)C(O)(C)C)C=C2)[C@@H]([C@@]1(O)C)O)C
Compound: Reveromycin D 4'-methyl ester
SMILES: O=C(O)/C=C(/C=C/[C@@H]1O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)\C)CC[C@]1(OC(=O)CCC(=O)OC)CCCCC)\C
Compound: N-(5-acetamidopentyl)-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNCC1(O[C@H](CO)[C@H]([C@@H]1O)O)O)CCC(=O)NCCCCCNC(=O)C
Compound: 13-deoxytetrodecamycin
SMILES: O=C1C=2C(=O)OC(C2O[C@H]3[C@H]([C@@]1([C@H]4[C@H]([C@@H]3O)CCCC4)C)C)=C
Compound: 4-[5-(3,4-dihydroxyphenyl)-3,4-dimethyl-2,5-dihydrouran-2-yl]benzene-1,2-diol
SMILES: O1C(C2=CC(O)=C(O)C=C2)C(C)=C(C1C3=CC(O)=C(O)C=C3)C
Compound: Allantonaphthofuran C
SMILES: O1C2=C(C(O)=C(O)C(=C2C3=C1C4=C(O)C=CC=C4C(C5=C(OC)C(=C(O)C(=C5C6=CC=CC=C6)O)C7=CC=CC=C7)=C3)C8=CC=CC=C8)C9=CC=CC=C9
Compound: Cordypyridone C
SMILES: O=C1N(OC)C=CC2=C1[C@H]3[C@](C[C@H](C)C[C@@H]3C)(C)[C@@H](O2)C
Compound: Isocitreohybridone A
SMILES: O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)C=C([C@]5(C(OC(=O)C)=C(C([C@@]35C(=O)OC)=O)C)C)C)C
Compound: 5-methoxyuridine
SMILES: COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Compound: Osmanicin
SMILES: O=C1C2=C(NCC1)C=C[C@]23[C@H]4C5=C([C@H](O)[C@@H]6[C@H]5N(C(=O)O6)CC4)[C@H]([C@@H]3C)C
Compound: Rutamycin B
SMILES: O=C1O[C@H]2[C@H]([C@H](O[C@@]3(C2)O[C@@H]([C@H](C)CC3)C[C@@H](O)C)CC[C@@H](C=CC=CC[C@H](C)[C@H]([C@H](C([C@@H]([C@H]([C@@H](C([C@@H]([C@H]([C@@H](C=C1)C)O)C)=O)C)O)C)=O)C)O)CC)C
Compound: N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy-[(Z)-8-hydroxydec-4-enoyl]amino]pentylamino]-4-oxobutanoyl]amino]pentyl]-N'-[5-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentyl]butanediamide
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNCC1(O[C@H](CO)[C@H]([C@@H]1O)O)O)CCC(=O)NCCCCCN(O)C(=O)CC/C=C\CCC(O)CC
Compound: Actinomycin Zp
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(N)C(=O)C(C)=C3C2=NC4=C(C(=CC=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C(C)C)C)=O)CC[C@@H]6C)C(C)C)C)O3)C(=O)N[C@@H](C(=O)N7[C@@H](C)CC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: Pretilactam
SMILES: O=C1N[C@@H](CC=CC=CC=CC=C(C=CC=C[C@@H]2O[C@H](CC=CC=C1)[C@@H](O)[C@H](O)C2)C)C
Compound: Sterostrein G
SMILES: O=C1C=2C(=C(CO)OC2)[C@@](O)(C)[C@@H]3[C@]1(O)CC(C)(C)C3
Compound: Oxepinamide D
SMILES: O=C1N2C(=NC3=C1C=CC=CO3)[C@](O)(NC([C@H]2C)=O)CC4=CC=CC=C4
Compound: Varioloid A
SMILES: O1C2=C(OC)C(=C(OC)C(=C2[C@@]3([C@H]1NC=4C=CC=CC34)OC)OC)C=5C6=C(C=CC=C6)NC5
Compound: DKxanthene 548
SMILES: O=C(NC(C(=O)O)C(O)C(=O)N)/C(=C/C=C/C=C/C=C/C(=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C)/C
Compound: Actinomycin Y6
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C5=C4C(=O)OC[C@H](N5)[C@@H]6NC(=O)[C@@H](N(C(=O)CN(C)C([C@H]7N(C([C@H](NC6=O)C(C)C)=O)CC(=O)C7)=O)C)C)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N8[C@@H](C)C[C@@H]([C@H]8C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: 5-methyl-2-thiouridine
SMILES: Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O
Compound: 12,13-Deoxytrichoverrin A
SMILES: O=C(OCC12[C@@]3(C(=C)C(OC1C=C(C)CC2)C[C@H]3OC(=O)C=CC=C[C@H](O)C(O)C)C)C=C(CCO)C
Compound: Antibiotic R2
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C4C(O)C(O)C=5C(C4=C3O)=C(O)C(=C(C)C5)C(=O)O)CC
Compound: (15E,17E)-9,10,12,13-tetrahydroxyhenicosa-15,17-dienoic acid
SMILES: O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)C/C=C/C=C/CCC
Compound: Prelactone B
SMILES: O=C1O[C@@H]([C@@H](C)[C@@H](C1)O)C(C)C
Compound: Asperisocoumarin A
SMILES: O=C1OC(=CC2=C1C=3OC(=C(C)C)C(C3C=C2)=O)C
Compound: Actinomycin Y7
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5CO)=O)C)C)=O)CC(C6)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)C[C@@H]([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: Speramide B
SMILES: O=C1N2[C@@]3(NC=4C5=C(OC(C)(C)C=C5)C=CC4[C@]3(O)C[C@H]2C(=O)N6[C@@]1(O)CCC6)C(C=C)(C)C
Compound: Ficiolide G
SMILES: O=C1O[C@@H](CCC(O)CCC(=O)O[C@@H](CC[C@H](C=C1)O)C)C
Compound: (E)-9,10,12,13,14,15-hexahydroxytetracos-17-enoic acid
SMILES: O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)C(O)C(O)C/C=C/CCCCCC
Compound: Asperisocoumarin B
SMILES: O=C1O[C@@H](CC2=C1C=3O[C@H](C(C)C)[C@@H](C3C=C2)O)C
Compound: 8-O-methylbostrycoidin
SMILES: O=C1C2=C(C(=O)C3=C1C=NC(=C3)C)C(O)=C(OC)C=C2OC
Compound: Actinomycin Y8
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C)C)=O)CC(C6)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)C[C@@H]([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: Hebelodendrol
SMILES: O[C@]1([C@H]2[C@H](O)[C@H](O)[C@H]([C@H]2[C@@H]3C(C)(C)[C@@H]3CC1)C)C
Compound: Chloro-orienticin B
SMILES: ClC1=C2OC3=C(OC4OC(C(O)C(C4O)O)CO)C=5OC6=C(Cl)C=C([C@@H](OC7OC(C(O)C(C7)(N)C)C)C8C(=O)N[C@H](C(=O)O)C=9C(C=%10C=C(C(NC([C@@H](C(=C3)C5)NC(=O)[C@@H](NC([C@@H]([C@@H](C(=C1)C=C2)O)NC(=O)[C@H](NC)CC(C)C)=O)CC(=O)N)=O)C(=O)N8)C=CC%10O)=C(O)C=C(O)C9)C=C6
Compound: Asperisocoumarin C
SMILES: O=C1O[C@@H](CC2=C1C=3OC(C(C)C)=CC3C=C2)C
Compound: Actinomycin Y9
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C3N=C4C(=C(C(=O)C(=C4C(=O)N[C@@H]5C(=O)N[C@@H](C(=O)N6[C@H](C(=O)N(C)CC(N([C@H](C(O[C@@H]5C)=O)C)C)=O)CC(C6)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7[C@@H](C)CC[C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)C
Compound: (E)-9,10,12,13,15,16-hexahydroxyhexacos-18-enoic acid
SMILES: O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)C/C=C/CCCCCCC
Compound: OH-3984-K2
SMILES: O=C1OC(/C=C/C(OC)/C(=C/CCC(C(O)C)C)/C)(C)C=C1
Compound: Virescenoside F
SMILES: O=C(O)C1OC(OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2CC=C4[C@@H]3CC[C@@](C4)(C=C)C)C)C)C(O)C(C1O)O
Compound: Asperisocoumarin D
SMILES: O=C1O[C@@H](CC2=C1C=3OC(=C(C)C)C(C3C=C2)=O)C
Compound: 5-methyl-L-arginine
SMILES: CC(CC[C@H](N)C(O)=O)NC(N)=N
Compound: Tartrolon D
SMILES: O=C1O[C@H](CCC=CC=CCC[C@H](O)CC(=O)C[C@H]2O[C@@](O)(C(O)C(=O)O[C@H](CCC=CC=CCC[C@@H](CC(C[C@H]3O[C@](C1O)(O)[C@@H](CC3)C)=O)O)C)[C@H](C)CC2)C
Compound: 16alpha-hydroxy-3-oxo-24-methyllanosta-5,7,9(11),24(31)-tetraen-21-oic acid
SMILES: O=C1C(C2=CC=C3[C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H](C4)O)(C)CC=C3[C@@]2(C)CC1)C)(C)C
Compound: (E)-9,10,12,13,15,16-hexahydroxyheptacos-18-enoic acid
SMILES: O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)C/C=C/CCCCCCCC
Compound: 4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate
SMILES: O=C(O[C@H]([C@](O)(C=C)C)CC=C(C)C)CCCCCCC/C=C\CCCCCCCC
Compound: 1beta-hydroxy-2alpha-hydro-asterogynin A
SMILES: O=C1[C@@H](OC)[C@@H](O)[C@@]2(C=3C=CC4=C(C3C([C@@]2(C1)O)=O)CCC4=O)C
Compound: Asperisocoumarin E
SMILES: O=C1O[C@@H](CC=2C1=C(O)C(C(=O)C(=O)C(C)C)=CC2)C
Compound: 3beta,16alpha,30-trihydroxy-24-methyllanosta-7,9(11),24(31)-trien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)=CC2)(CO)C[C@H]1O)C)CCC(=C)C(C)C
Compound: Taveuniamide B
SMILES: ClC(Cl)=CC#CCCCC(NC(=O)C)C(C(=O)OC)CCCCCC(Cl)Cl
Compound: (E)-9,10,12,13,15,16-hexahydroxyoctacos-18-enoic acid
SMILES: O=C(O)CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)C/C=C/CCCCCCCCC
Compound: PAX 1
SMILES: O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(NCCCCC1NC(=O)C(NC(=O)CNC(=O)CC(O)CCCCCCCCC(C)C)CCCCN)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: 5-methylaminomethyluridine
SMILES: CNCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
Compound: YW-3699
SMILES: O=C1C(O)=C(C)[C@@H]2[C@@]1(O)C(=C)[C@H]3[C@H](C(C)=CC2)C[C@@]4(C[C@@H]([C@H]([C@H]4C3)C(C)C)OC(=O)CC(O)(CC(CC)C)C)C
Compound: 2-(14-carboxytetradecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
SMILES: O=C1OC(CCCCCCCCCCCCCCC(=O)O)C(C1C)C(=O)O
Compound: Asperisocoumarin F
SMILES: O=C1OCCC=2C1=C(O)C(=C(OC)C2)COCC3=C(O)C=4C(=O)OCCC4C=C3OC
Compound: 5aTHQ-7n
SMILES: N1C2=C(C(=CC=C2)CCCCCCC)CCC1
Compound: Aeruginosin 205 B
SMILES: ClC1CC2N(C(=O)[C@@H](NC(=O)C(OS(=O)(=O)O)CC3=CC=CC=C3)[C@H](OC4OC[C@@H](O)[C@@H]([C@H]4O)O)C(C)C)C(C(=O)NCCCCN=C(N)N)CC2CC1
Compound: 3beta-acetoxy-16alpha,24beta-dihydroxylanosta-7,9(11),25-trien-21-oic acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C=3C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)=CC2)(C)C[C@H]1O)C)CC[C@@H](O)C(=C)C
Compound: TAN-1511 A
SMILES: S(C[C@H](NC(=O)CCCCCCCCCCCCC)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)[C@H](O)C)CCC(=O)O)C[C@H](OC(=O)CCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCC
Compound: 5-chlorogriseofulvin
SMILES: ClC1=C(OC)C(Cl)=C2O[C@]3(C(C2=C1OC)=O)C(OC)=CC(=O)C[C@H]3C
Compound: 2-(17-carboxyheptadecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
SMILES: O=C1OC(CCCCCCCCCCCCCCCCCC(=O)O)C(C1C)C(=O)O
Compound: 3beta,16alpha-dihydroxy-7-oxo-24-methyllanosta-8,24(31)-dien-21-oic acid
SMILES: O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(C[C@@H](O)[C@@H]4[C@H](C(=O)O)CCC(=C)C(C)C)C)C
Compound: Tubingensin A
SMILES: O[C@@H]1[C@]2(C3=C(C=C4NC5=C(C4=C3)C=CC=C5)CC[C@]2([C@H](C)CC1)C)CCC=C(C)C
Compound: Ganocin C
SMILES: O=C1C=C2C3=C(O[C@]4([C@@]2(C(=C(C)C)CC4)CC1)C)C=CC(=C3)O
Compound: 3-chloroarcyriaflavin
SMILES: ClC1=CC=2C3=C(C=4NC=5C=CC=CC5C4C6=C3C(=O)N(C)C6=O)NC2C=C1
Compound: Mupirocin P
SMILES: O=C1[C@H](O)[C@](O)(CO[C@H]1C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C[C@@H]2O[C@H]2[C@H]([C@@H](O)C)C
Compound: (2Z)-6-acetyl-7,9-dihydroxy-2-(1-methoxyethylidene)-8,9b-dimethyldibenzouran-1,3-dione
SMILES: O=C1/C(/C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(/OC)\C
Compound: 3alpha,16alpha-dihydroxy-7-oxo-24-methyllanosta-8,24(31)-dien-21-oic acid
SMILES: O=C1C2=C([C@]3(CC[C@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(C[C@@H](O)[C@@H]4[C@H](C(=O)O)CCC(=C)C(C)C)C)C
Compound: FR-900483
SMILES: O=C1OC2=C(O)C=CC=C2C(N1)=O
Compound: Gliocladride B
SMILES: O=C/1N(O)[C@H](C(=O)N\C1=C\C2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)C
Compound: Pestaloporonin C
SMILES: O=C1[C@@H](O)CC(=C[C@H](C=C([C@H]1CC(=C)C)CO)OC)C
Compound: Desepoxy-mupirocin P
SMILES: O=C1[C@H](O)[C@](O)(CO[C@H]1C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C/C=C/[C@H]([C@@H](O)C)C
Compound: 5-methylcytidine
SMILES: Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1N
Compound: (2E)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-(pentylamino)ethylidene]dibenzouran-1,3-dione
SMILES: O=C1/C(/C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(\NCCCCC)/C
Compound: Citrinolactone A
SMILES: O=C1OC2=C([C@](O)(C(=O)OC)CC2)C=3C1=C(O)C=C(C)C3
Compound: Endolide C
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1C(C)C)=O)CC2=CC=CC=C2)C)CC3=COC=C3)CC4=CC=CC=C4)C
Compound: Epiphorellic acid 3
SMILES: O=C(OC)C1=C(OC2=C(OC)C=C(O)C(=C2CCCCC)C(=O)O)C=C(O)C=C1CCC
Compound: Amicoumacin C
SMILES: O=C1OC(C(NC(=O)C(O)C2OC(=O)CC2N)CC(C)C)CC=3C1=C(O)C=CC3
Compound: 8-hydroxythiomarinol C
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]3OC[C@](O)(C/C=C/[C@H]([C@@H](O)C)C)[C@H](C3O)O)\C)C(=O)NC2=C1
Compound: Heterocornol M
SMILES: O1[C@@H](C=2C(=CC=C(C2C1)O)CC=C(C)C)CCO
Compound: L-2-Amino-4-(2-aminoethoxy)-trans-3-butenoic acid
SMILES: O=C(O)[C@@H](N)/C=C/OCCN
Compound: Endolide D
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1C(C)C)=O)CC2=COC=C2)C)CC3=CC=CC=C3)CC4=COC=C4)C
Compound: Eremophil-9-ene-11,12,13-triol
SMILES: OC([C@@H]1CC=C2CCC[C@H]([C@@]2(C1)C)C)(CO)CO
Compound: Aspergillin PZ
SMILES: O=C1[C@]23C(=O)N[C@@H]([C@H]2[C@@H](C)C(=C[C@H]3[C@@H]4[C@]5(CC[C@@H]([C@@H]([C@@H]4C1)O5)O)C)C)CC(C)C
Compound: 6,7-diketothiomarinol C
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]3OCC(C/C=C/[C@H]([C@@H](O)C)C)=C(C3=O)O)\C)C(=O)NC2=C1
Compound: Heterocornol N
SMILES: O1C(C=CC=2C(C1)=C(O)C=CC2)([C@@H](O)C)[C@@H](O)C
Compound: Bottromycin A2 acid
SMILES: S1C(=NC=C1)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=NCC(=O)N3[C@H](C(=O)N[C@H](C(N[C@H]2C(C)(C)C)=O)C(C)C)[C@H](C)CC3)C(C)(C)C)[C@H](C4=CC=CC=C4)C)CC(=O)O
Compound: Ophiobolin Q
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@H]([C@H](/C=C\[C@H](O)C(O)(C)C)C)CC[C@@]3(C2)C)C=O
Compound: Cyanopeptolin 1020
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCN=C(N)N)C
Compound: Versiquinazoline J
SMILES: O=C1N2[C@@]3(N(OC)C=4C=CC=CC4[C@]3(C(C=C)(C)C)C=C1OC)NC([C@@H]2C)=O
Compound: Heterocornol O
SMILES: O1[C@H](C=CC=2C=3C1CC(O)(C)OC3C=CC2)C(O)C
Compound: 6,7-diketothiomarinol A
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/[C@@H](O)[C@@H]3OCC(C/C=C/[C@H]([C@@H](O)C)C)=C(C3=O)O)\C)C(=O)NC2=C1
Compound: Isodrimenediol
SMILES: O[C@@H]1C([C@H]2[C@]([C@H](C(=C)CC2)CO)(C)CC1)(C)C
Compound: (2E,4Z,6E,8Z)-5,9-dimethyl-10-oxododeca-2,4,6,8-tetraenoic acid
SMILES: O=C(O)/C=C/C=C(\C=C\C=C(/C(=O)CC)\C)/C
Compound: Pleosporalone A
SMILES: O=C1OC(C2=C(O)C=CC=C2C)=CC=3C1=C(O)C(=C(O)C3)C
Compound: Versiquinazoline K
SMILES: O=C1N2[C@@]3(N(O)C=4C=CC=CC4[C@]3(C(C=C)(C)C)C=C1OC)NC([C@@H]2C)=O
Compound: 6,7-diketothiomarinolic acid C6
SMILES: O=C1C(O)=C(CO[C@H]1C/C(=C/C(=O)OCCCCCC(=O)O)/C)C/C=C/[C@H]([C@@H](O)C)C
Compound: Heterocornol P
SMILES: O1[C@@H](C=CC=2C=3C1CC(O)(C)OC3C=CC2)C(O)C
Compound: Penioxalicin
SMILES: O=C1O[C@H]2CC(=C)[C@@H]([C@]([C@@H]2[C@@H]1C)(CC(=O)O)C)CC/C(=C(/C(=O)O)\C)/C
Compound: Thiazomycin B
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(NC2=C(OC)C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10CO[C@@H]3[C@H](O)C(=O)OCC%11=C%10C(=CC=C%11)N9)=O
Compound: Versiquinazoline A
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H]4O[C@]56C[C@H]2C(=O)N4CN7[C@@H](C)C(N([C@H]57)C8=C6C=CC=C8)=O
Compound: (3E)-3-[(2E,4E,6R)-1-hydroxy-6-[(1S,2S,4S,5R,6S,7R,8R)-5-hydroxy-1,2,7-trimethyl-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
SMILES: O=C/1NCC(\C1=C(/O)\C=C\C(=C\[C@H]([C@H]2O[C@]3(O[C@@H]([C@@H]2C)[C@@H](O)[C@H]4[C@@]3(O4)C)C)C)\C)=O
Compound: 7-ketothiomarinol C
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]3OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)C([C@H]3O)=O)\C)C(=O)NC2=C1
Compound: Bilain D
SMILES: S([C@H]1N(C(=O)[C@H](CC2=CC=C(OC[C@@H](O)C(O)(C)C)C=C2)N(C1=O)C)C)C
Compound: Aspersclerolide A
SMILES: O=C1O[C@@](O)(C(=O)C)C(=C1)C
Compound: Acremolactone C
SMILES: O=C1C2=C([C@H]3[C@@](OC([C@@H]3[C@H](O)/C(=C/CCC)/C)=O)(C)[C@H](C2)O)[C@@H]([C@]1(O)C4=C(C=CC=C4)C)O
Compound: Versiquinazoline B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H]4O[C@]56C[C@H]2C(=O)N4CN7C8(CC8)C(N([C@H]57)C9=C6C=CC=C9)=O
Compound: Microsclerodermin M
SMILES: O=C1N[C@H]2[C@@](O)(NC(C2)=O)CC(=O)N(CC(=O)N[C@@H](C(=O)NCC(NC[C@@H](CC(N[C@@H]([C@@H]1O)[C@H](O)[C@@H](O)CC=CC=CC=CC3=CC=CC=C3)=O)O)=O)CC=4C5=C(C=CC=C5)NC4)C
Compound: 7-ketothiomarinol A
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/[C@@H](O)[C@@H]3OC[C@H](C/C=C/[C@H]([C@@H](O)C)C)C([C@H]3O)=O)\C)C(=O)NC2=C1
Compound: Aspersclerolide B
SMILES: O=C1OC(O)(C(OC)CO)C(=C1)C
Compound: Chlorotetrangulol
SMILES: ClCC=1C=C(O)C2=C3C(=O)C4=C(C(O)=CC=C4)C(C3=CC=C2C1)=O
Compound: Versiquinazoline C
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H]4O[C@@]5(C[C@H]2C(=O)N4)C6=C(C=CC=C6)N7[C@H]5NC8(CC8)C7=O
Compound: SCH 643432
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)O)C)(C)C)(C)C)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)C1N(C(=O)C(C(=O)CCCCCCCCCCC)C)CCC1)(C)C)(C)C)(C)C)(C)C)C)C)(C)C)CC(C)C)C)(C)C)C)C)(C)C)CCCNC(=N)N)(C)C)(C)C)(C)C
Compound: Nodulisporic acid A1
SMILES: O=C1C2=C3C(C=4C[C@H]5[C@](C4N3[C@H]1C(=C)C)([C@@]6([C@H]([C@]7([C@](O[C@@H](C7)/C=C(/C(=O)O)\C)(O)CC6)C)CC5)C)C)=CC8=C2[C@@H](O)[C@@H]9C(OC(C=C89)(C)C)(C)C
Compound: GERI-BP001 A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1[C@@H](O)[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC[C@]4(O3)C)C
Compound: Aspersclerolide C
SMILES: O=C1OC(O)(C(CC2=C(O)C=C(O)C=C2C)C)C(=C1)OC
Compound: 8-epi-7-ketothiomarinol C
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/C[C@@H]3OC[C@@H](C/C=C/[C@H]([C@@H](O)C)C)C([C@H]3O)=O)\C)C(=O)NC2=C1
Compound: 1-hydroxy-2-hydroxymethyl-3-pent-1,3-dienylbenzene
SMILES: OC1=C(C(=CC=C1)\C=C/C=C/C)CO
Compound: Versiquinazoline D
SMILES: O=C1N2C(=NC3=C1C=CC=C3)CNC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4N[C@@H](C)C6=O)=O
Compound: Iso-16-deethylindanomycin methyl ester
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)OC)C)CC[C@H]4C)\CC
Compound: (-)-aspersclerolide D
SMILES: O=C1O[C@@]2(OC3=C(C(=CC(=C3)O)C)C[C@@H]2C)C(=C1)OC
Compound: (1S,2S)-3-oxo-2-pentylcyclopentane-1-butyric acid methyl ester
SMILES: O=C1[C@H]([C@@H](CCCC(=O)OC)CC1)CCCCC
Compound: Versiquinazoline E
SMILES: O=C1N2C(=NC3=C1C=CC=C3)CNC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@H]4NC7(CC7)C6=O)=O
Compound: Illudin T
SMILES: O=C1C2=C(C(=C)C3([C@H]1C)CC3)C[C@@](C2)(CO)C
Compound: 8-epi-7-ketothiomarinol A
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/[C@@H](O)[C@@H]3OC[C@@H](C/C=C/[C@H]([C@@H](O)C)C)C([C@H]3O)=O)\C)C(=O)NC2=C1
Compound: (+)-aspersclerolide D
SMILES: O=C1O[C@]2(OC3=C(C(=CC(=C3)O)C)C[C@H]2C)C(=C1)OC
Compound: Versiquinazoline F
SMILES: O=C1N2C(=NC3=C1C=CC=C3)CNC([C@@H]2C[C@@]45OCN6[C@@H]4N(C(=O)C67CC7)C8=C5C=CC=C8)=O
Compound: Aeruginosin 205 A
SMILES: ClC1CC2N(C(=O)[C@H](NC(=O)C(OS(=O)(=O)O)CC3=CC=CC=C3)[C@@H](OC4OC[C@@H](O)[C@@H]([C@H]4O)O)C(C)C)C(C(=O)NCCCCN=C(N)N)CC2CC1
Compound: Roritoxin B
SMILES: O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C)CC4)O[C@H](C2)C35OC5)COC(=O)C6[C@@]7([C@@H]8[C@](C=CC=C1)(OCC7)C(O)C(O)O8)O6)C
Compound: (+)-(4S,5S)-4-hydroxy-3-methoxy-5-methyl-2-cyclopentenone
SMILES: O=C1C=C(OC)[C@H]([C@@H]1C)O
Compound: 8-epi-7-epi-6-ketothiomarinol A
SMILES: S1SC2C(NC(=O)CCCCCCCOC(=O)/C=C(/[C@@H](O)[C@@H]3OC[C@@H](C/C=C/[C@H]([C@@H](O)C)C)[C@@H](C3=O)O)\C)C(=O)NC2=C1
Compound: Fomefficinic acid G
SMILES: O=C(O)C(C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: Versiquinazoline G
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](OC)N4C5(C(=O)N6[C@@H]4[C@@](C[C@H]2C(=O)OC)(O)C7=C6C=CC=C7)CC5
Compound: Fomitellic acid D
SMILES: O=C1C2=C([C@]3([C@H](O)C[C@@H](C([C@@H]3C1)(C(=O)O)C)O)C)CC[C@]4([C@]2(CC[C@@H]4C(CCC=C(C)C)C)C)C
Compound: (-)-(4R,5R)-4-hydroxy-3-methoxy-5-methyl-2-cyclopentenone
SMILES: O=C1C=C(OC)[C@@H]([C@H]1C)O
Compound: 8,8'-Bis(6-methoxy-2,2-dimethylchromene)
SMILES: O1C2=C(C3=C4OC(C=CC4=CC(=C3)OC)(C)C)C=C(OC)C=C2C=CC1(C)C
Compound: Ulocladol
SMILES: O=C1OCC=2C=C(OC)C(=C(C2C=3C1=C(O)C=C(OC)C3)O)O
Compound: 13-dehydroxy-1,11-deacetylpyripyropene A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](O)CC5)(CO)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: Versiquinazoline H
SMILES: O=C1N(C=NC2=C1C=CC=C2)[C@@H]3C(=O)N4[C@H]5N(C([C@H]4C(CC)C)=O)C6=C([C@]5(C3)O)C=CC=C6
Compound: FR182876
SMILES: O=C1O[C@@H]2[C@@H](C)[C@@]3([C@H]1[C@H]4[C@@H]5[C@H]6[C@H](O)[C@@H](C)[C@@H]([C@@H]6C=C([C@@H]5C[C@H]4[C@](O3)(C)CC2)C)O)OC(=O)[C@@H](NC(=O)CCNC(=O)C)CC=7N(C=NC7)C
Compound: Carmabin B
SMILES: O=C(N(C(C(=O)N)CC1=CC=C(OC)C=C1)C)C(N(C(=O)C(NC(=O)C(N(C(=O)C(CC(CCCCC(=O)C)C)C)C)CC2=CC=CC=C2)C)C)C
Compound: Squalestatin X1
SMILES: O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)C(=O)O)/C=C/C(CCCC)C
Compound: 1-deacetylpyripyropene A
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](O)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C
Compound: 23S-Hydroxylanosterol
SMILES: O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](C[C@H](O)C=C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Sterebin O
SMILES: O=C1O[C@@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]([C@H]2C1)(CCCC3(C)C)C)C
Compound: Versiquinazoline I
SMILES: O=C1N2C(=NC3=C1C=CC=C3O)CNC([C@@H]2CC=4C5=C(C=CC=C5)NC4)=O
Compound: 2E-non-2-ene-4,6,8-triynoic acid p-aminobenzoic acid amide
SMILES: O=C(O)C1=CC=C(NC(=O)/C=C/C#CC#CC#C)C=C1
Compound: 11-deacetylpyripyropene O
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](OC(=O)C)CC5)(CO)C)CC[C@]4(O3)C)C
Compound: Trypilepyrazinol
SMILES: O=C1NC(=C(OC)N=C1[C@H](CC)C)CC=2C3=C(C=CC=C3)NC2
Compound: (R)-(+)-8-hydroxy-7-O-methyltrypethelone
SMILES: O=C1C2=C(O)C(OC)=CC(=C2C=3O[C@@H](C(C3C1=O)(C)C)C)C
Compound: Micromonohalimane A
SMILES: O=C1OC[C@]([C@H]1O)(O)[C@H](OC(=O)C)C[C@]2([C@H]3C(=CC[C@@H]2C)C(CCC3)(C)C)C
Compound: Berkeleyamide D
SMILES: O=C1NC(O)(CC(C)C)C(C12OC(CC3=CC=CC=C3)=CC2=O)O
Compound: Cylindrol A2
SMILES: O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)CCC)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Compound: (+)-neocitreoviridin
SMILES: O=C1OC(=C(C)C(=C1)OC)C=CC=CC=C/C(=C\[C@@]2(O[C@H](C)[C@@]([C@H]2O)(O)C)C)/C
Compound: (+/-)-sclerotiorumin A
SMILES: O=C1C(OC)=CC(=O)C(=C1C)[C@]2(OC=C(C2=O)C)C
Compound: Micromonohalimane B
SMILES: ClC[C@@]1(O)[C@H](OC(=O)C)C(=O)O[C@H]1C[C@@]2([C@@H]3C(=CC[C@H]2C)C(CCC3)(C)C)C
Compound: Flaviphenalenone A
SMILES: O=C1C2=C(O)C(OC)=C(OC)C=3C2=C(C(O)=C(CC=C(C)C)C3C)C([C@@]1(O)CC(=O)C)=O
Compound: 3beta-hydroxyergosta-8,14,24(28)-trien-7-one
SMILES: O=C1C2=C([C@]3(CC[C@@H](C[C@@H]3C1)O)C)CC[C@]4(C2=CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
Compound: Coniochaetone G
SMILES: O=C1C2=C(OC3=C1[C@@H](O)C[C@H]3O)C=C(C)C=C2O
Compound: Malolactomycin C
SMILES: O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C(CC=C(C(C1C)O)C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(C/C(=C/CCCCCNC(=NC)N)/C)C
Compound: (8alpha)-sclerotiorumin B
SMILES: O=C1O[C@]([C@H](C[C@@]2(OC=C(C2=O)C)C)C)(C)C(=C1)OC
Compound: Elaiomycin K
SMILES: O=C(O)[C@@H](/N=[N+](\[O-])/CCCCCCCC)CO
Compound: Teucdiol D
SMILES: O[C@@]1([C@@H]2[C@](CCC(C2)=C(CO)CO)(CCC1)C)C
Compound: Flavipesolide A
SMILES: O=C1O[C@](O)(C(=O)OCC)C(=C1CC2=CC3=C(OC(C)(C)CC3)C=C2)C4=CC=C(O)C=C4
Compound: Dasyscyphin E
SMILES: OC1=C(C=CC2=C1[C@@]3([C@@H]([C@@]4([C@H]([C@](CCC4)(CO)C)CC3)C)C2)C)C
Compound: Seco-Chaetomugilin A
SMILES: ClC1=C2C(=COC(=C2)/C=C/[C@H]([C@H](O)C)C)[C@@H]3[C@@H](C(=O)OC)[C@@](O[C@@]3(C1=O)C)(O)[C@@H]([C@H](O)C)C
Compound: (8beta)-sclerotiorumin B
SMILES: O=C1O[C@@]([C@H](C[C@@]2(OC=C(C2=O)C)C)C)(C)C(=C1)OC
Compound: 3,4-dihydroxy-5-(3-hydroxy-5-methylphenoxy)benzoic acid
SMILES: O=C(O)C1=CC(OC2=CC(O)=CC(=C2)C)=C(O)C(=C1)O
Compound: Lucknolide B
SMILES: O=C1O[C@](OC)([C@H]2O[C@@H]([C@@H]3[C@H]2[C@H]1C=C3)O)CO
Compound: Teucdiol C
SMILES: O[C@@]1([C@@H]2[C@](CCC(C2)=C(CO)C)(CCC1)C)C
Compound: Varioxiranol B
SMILES: O(C1=C(C(=CC=C1)/C=C/[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C)CO)C
Compound: Flavipesolide B
SMILES: O=C1O[C@](O)(C(=O)OC)C(=C1CC2=CC3=C(OC(C)(C)CC3)C=C2)C4=CC=C(O)C=C4
Compound: Sclerotiorumin C
SMILES: O=C1ONC=NC1(OC(C(=O)O)C(C)C)CC(C)C
Compound: Miyakamide B2
SMILES: O=C(N([C@H](C(=O)N/C=C/C=1C2=C(C=CC=C2)NC1)CC3=CC=CC=C3)C)[C@@H](NC(=O)C)CC4=CC=C(O)C=C4
Compound: Pestalochromone C
SMILES: ClC1=C2OC(CC(C2=CC(=C1)O)=O)(C)C
Compound: Teucdiol E
SMILES: O[C@]1(C(CO)C)C[C@@H]2[C@@](O)(CCC[C@@]2(C)CC1)C
Compound: Flavipesolide C
SMILES: O=C1O[C@](O)(C(=O)O)C(=C1CC2=CC3=C(OC(C)(C)CC3)C=C2)C4=CC=C(O)C=C4
Compound: Hapalindolinone B
SMILES: O=C1NC=2C=CC=CC2[C@]13[C@]4(C#N)[C@](C=C)(CC[C@H]([C@H]34)C(=C)C)C
Compound: 1-(4-benzyl-1H-pyrrol-3-yl)ethanone
SMILES: O=C(C=1NC(CC2=CC=CC=C2)=CC1)C
Compound: Hymenosetin
SMILES: O=C/1N[C@@H]([C@H](O)C)C(\C1=C(/O)\[C@@]2([C@@H](C(=C[C@H]3[C@H]2CC[C@H](C3)C)C)/C=C/C)C)=O
Compound: Teucdiol F
SMILES: O[C@@]1([C@@H]2[C@](CC[C@H](C2)[C@@](O)(CO)C)(CCC1)C)C
Compound: gamma-Citromycinon
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C4[C@@H](O)C[C@](CC4=C3O)(O)CC
Compound: Cordyheptapeptide C
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=CC=C4)CC(C)C)C(C)C)CC5=CC=C(O)C=C5)C
Compound: Phomaketide A
SMILES: ClC[C@@]1(O)[C@H]([C@]2(O[C@H]2CC=C(C)C)C)[C@@H](OC)[C@@H](OC(=O)/C=C/[C@@H](O)[C@@H](O)C)CC1
Compound: (+/-)-aluminiumneohydroxyaspergillin
SMILES: [Al+3].O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C
Compound: Astraeusin G
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)[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
Compound: Phaseolorin G
SMILES: O=C1O[C@H]([C@]23OC4=C(C(O)=CC=C4)[C@H](C2)OC3)[C@H](C1)C
Compound: Cervimycin B
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C3C[C@@H]4[C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O[C@@H]8O[C@H]([C@@H](OC(=O)C(C(=O)O)C)CC8)C)CC7)C)CC6)C)CC5)C)C(=O)C(=C([C@@]4(C(C3=C2O)=O)O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@@H](O)CC%10)C)CC9)C)O)C(=O)C
Compound: Phomaketide B
SMILES: ClC[C@@]1(O)[C@H]([C@]2(O[C@H]2CC=C(C)C)C)[C@@H](OC)[C@@H](OC(=O)/C=C/[C@H]3O[C@@H]3C)CC1
Compound: (+/-)-ferrineohydroxyaspergillin
SMILES: [Fe+3].O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C.O=C1N([O-])C(=CN=C1CC(C)C)C(O)C(C)C
Compound: (2-aminophenyl)(2-ethyloxazol-5-yl)methanone
SMILES: O=C(C1=C(N)C=CC=C1)C=2OC(CC)=NC2
Compound: Plantazolicin
SMILES: S1C(=NC(=C1)C=2OC(C)=C(N2)C=3OC(C)=C(N3)C(=O)N[C@H](C(=O)N[C@H](C=4OC=C(N4)C=5OC=C(N5)C=6OC=C(N6)C=7OC=C(N7)C=8OC(C)C(N8)C(=O)N[C@H](C(=O)O)CC9=CC=CC=C9)[C@H](CC)C)[C@H](CC)C)C=%10N=C(C=%11N=C(C(N(C)C)CCCN=C(N)N)SC%11)OC%10C
Compound: Phaseolorin H
SMILES: O=C1C2=C(OC=C1/C=C/C(=O)C)C=C(OC)C=C2C(=O)OC
Compound: Phomaketide C
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H]([C@@]2(OC2)CC1)[C@]3(O[C@H]3CC=C(C)C)C)/C=C/[C@H]4O[C@@H]4C
Compound: Hansfordiol A
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCCCC[C@@H](O)C
Compound: ZGL2
SMILES: P(=O)(O[C@@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2N)O)CO[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1O)O)(OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)C(O)CCCCCCCCCCCCCC)O
Compound: Syributin 2
SMILES: O=C1OCC(=C1)[C@@H](O)[C@H](O)COC(=O)CCCCCCC
Compound: Isohypocrelline
SMILES: O=C1C2=C(O)C(OC)=C3C(C(=O)C)C(O)(C)CC=4C5=C3C2=C(C6=C5C(=C(O)C4OC)C(=O)C=C6OC)C(=C1)OC
Compound: Stachybotrin
SMILES: O1C2=C(C(C=3OCCN3)=CC(=C2C[C@@]14[C@@]5([C@H](C([C@H](O)CC5)(C)C)CC[C@H]4C)C)O)CO
Compound: Phomaketide D
SMILES: O=C(O[C@@H]1[C@H](OC)[C@@H]2[C@](O)(CO[C@]2(C(O)CC=C(C)C)C)CC1)/C=C/[C@H]3O[C@@H]3C
Compound: Phaseolorin I
SMILES: O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(COC(=O)C)C3
Compound: Hansfordiol B
SMILES: O=C(CCCCCCCCCCCCCCCC1=CC(O)=CC(=C1)O)C
Compound: Monodictyxanthone
SMILES: O=C1C2=C(OC3=C1C(C(=O)O)=CC(=C3)C)C=CC=C2O
Compound: Psi-tectorigenin
SMILES: O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C(OC)=C(O)C=C2O
Compound: Phomaketide E
SMILES: O=C(O[C@@H]1[C@H](OC)[C@H](C(=C)CC1)[C@]2(O[C@H]2CC=C(C)C)C)/C=C/[C@@H](O)[C@@H](O)C
Compound: Aurovertin E
SMILES: O=C1OC(=C(C)C(=C1)OC)C=CC=CC=C[C@@H]2O[C@@]3([C@@H](O)[C@]([C@H]2O)(O[C@H]3CC)C)C
Compound: Armochaetoglasin I
SMILES: O=C1C(=O)CCC(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@H](C([C@@H]3C=CC[C@@H](C=C1C)C)=O)C)CC=4C5=C(C=CC=C5)NC4
Compound: Hansfordiol C
SMILES: OC1=CC(O)=CC(=C1)CCCCCCCCCCCCCC[C@@H](O)CC
Compound: Herbarin B
SMILES: O=C1OC(=C(C)C(=C1)OC)/C=C/C(=O)O
Compound: (-)-chizhine C
SMILES: O=C1O[C@H](C(=C)C)CC[C@]1(O)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Cyanogenosin-RR
SMILES: O=C1NC(C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(NC([C@H](C(NC(CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/C(C(OC)CC2=CC=CC=C2)C)/C)=O)C)CCCN=C(N)N)C
Compound: Pseurotin G
SMILES: O=C1N[C@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13OC(/C(/O)=C/C=C(\O)/CC)=C(C3=O)C)O
Compound: Chaetomadrasin B
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=CC[C@@H]([C@@H]4[C@@H](C1)C(=O)C(O)=C4C)C)O)C)C[C@]5(O)C(=O)NC6=C5C=CC=C6
Compound: Hansfordiol D
SMILES: OC1=CC(O)=CC(=C1)CCCCCCC/C=C\C/C=C\CCC[C@@H](O)C
Compound: Ergochrome AB(4,4')
SMILES: O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)C[C@@H](C)[C@@H]([C@@]6(C(=O)OC)OC5C=C4)O)=CC=C3O[C@@]2(C(=O)OC)[C@@H](O)[C@H](C1)C