MonarchInit/C3PO huggingface dataset:
Compound: (-)-pestaloxazine A
SMILES: O=C1N[C@@]2(ON(C(=O)/C=C(/CCO)\C)CCC2)C(=O)N[C@@]13ON(C(=O)/C=C(/CCO)\C)CCC3
Compound: 4alpha,5alpha-dihydroxy-2,5beta-dimethylcyclohex-2-enone
SMILES: O=C1C(=C[C@@H](O)[C@](C1)(O)C)C
Compound: Peniciherquamide B
SMILES: O=C1C2=C(OC(C1)(C)C)C=CC3=C2NC(=O)[C@]34C([C@@H]5C[C@@]67[C@](O)(CCN7C[C@@]5(C4)N=C6OC)C)(C)C
Compound: Clostrocyloin
SMILES: O=C(O[C@@H](C(=O)CC(C)C)C)C1=C(N)C=CC=C1
Compound: 3-oxo-3-phenylpropionate
SMILES: [O-]C(=O)CC(=O)c1ccccc1
Compound: (3S,3aS,5aS,8aR,10aR,10bR,10cS)-3,5a,8a-trimethylspiro[2,3,3a,4,5,6,7,8,9,10a,10b,10c-dodecahydro-1H-pyrene-10,2'-oxirane]
SMILES: O1C2([C@H]3[C@H]4[C@H]5[C@](CC[C@H]4[C@@H](C)CC3)(CCC[C@@]5(C2)C)C)C1
Compound: Lobophorin CR1
SMILES: O=C1O[C@@]23[C@H](C=C([C@@H](O[C@@H]4O[C@@H]([C@H](NC(=O)OC)[C@](C4)(O)C)C)CC=C([C@H]5[C@@](C(=C1C2=O)O)([C@H]6[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@@H](O)[C@@H](O[C@@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)C)C)[C@@H](C)C[C@@H]6C)C=C5)C)C)C)C=C(CO)[C@@H](C3)C
Compound: Dehydrosattazolin
SMILES: O=C(/C(/O)=C/C=1C2=C(C=CC=C2)NC1)CC(C)C
Compound: Peniciherquamide C
SMILES: O=C1N[C@]23[C@H](C(C=4NC5=C(C4C2)C=CC6=C5C(=O)CC(O6)(C)C)(C)C)C[C@]17N(CC[C@@H]7C)C3
Compound: Isoemericellin
SMILES: O=C1C2=C(O)C(=CC=C2OC3=C1C(=C(OCC=C(C)C)C(=C3)C)CO)CC=C(C)C
Compound: Trans-3-methyldodec-cis-6-en-4-olide
SMILES: O=C1O[C@@H](C/C=C\CCCCC)[C@@H](C1)C
Compound: Lobophorin CR2
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C([C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(C(C2)O)=C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@@H](O)[C@@H](O[C@@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CO)C)C)C
Compound: [(2S)-1-(1H-indol-3-yl)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate
SMILES: O=C(O[C@H](C(=O)CC(C)C)CC=1C2=C(C=CC=C2)NC1)C3=C(N)C=CC=C3
Compound: Neoherqueinone
SMILES: O=C1C(OC)=C(O)C2=C3O[C@H](C)C([C@]3(O)C(C=4C2=C1C(O)=CC4C)=O)(C)C
Compound: Pyripyropene F
SMILES: O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H](C([C@@H](OC(=O)CC)CC5)(C)C)CC[C@]4(O3)C)C
Compound: Hebevinoside V
SMILES: O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2C(C3=C[C@H](OC)[C@H]4[C@]5([C@]([C@@H]([C@@H](CCC=C(C)C)C)[C@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)COC(=O)C)(C)CC[C@]4([C@@H]3CC2)C)C)(C)C)OC1)C
Compound: Thalabetaotalic acid A
SMILES: O=C(O)/C(/NC(=O)CCCCCCCCC)=C/C1=CC=C(O)C=C1
Compound: Lobophorin CR3
SMILES: O=[N+]([O-])[C@@]1([C@@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@@H]2C(=C[C@@H]3C=C([C@H](C)C[C@]34OC(=O)C(C4=O)=C([C@@]5([C@H](C(C(C2)OO)=C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@H]([C@H](O)[C@@H](C7)O[C@H]8O[C@@H](O)[C@@H](O[C@@H]9O[C@H]([C@H](OC)[C@@H](C9)O)C)[C@@H](C8)C)C)[C@@H](C)C[C@@H]([C@@H]56)C)C)O)CO)C)C)C
Compound: Hydroxysattazolin
SMILES: O=C([C@@H](O)CC=1C2=C(C(O)=CC=C2)NC1)CC(C)C
Compound: PGL KIV
SMILES: O=C(OC(CC1=CC=C(O[C@H]2OC([C@@H](OC)C(C2OC)O[C@H]3OC([C@@H](O)C(C3OC)O[C@H]4OC([C@H](OC(=O)C)C(C4OC)O[C@@H]5OC([C@@H](O)C(C5OC)O)CO)C)C)C)C=C1)CC(OC(=O)C(CCC)C)CCCCC(C(OC)CC)C)C(CCC)C
Compound: WS75624 B
SMILES: S1C(=NC(=C1)C2=NC(C(=O)O)=CC(=C2OC)OC)CCCCC[C@@H](O)C
Compound: Thalabetaotalic acid B
SMILES: O=C(O)/C(/NC(=O)CCCCCCC(C)C)=C/C1=CC=C(O)C=C1
Compound: Carriebowlinol
SMILES: ClCC1=C2C(=NC=C1)CCC[C@@H]2O
Compound: Conexipyrone A
SMILES: O=C1OC(=C(C)C(=C1C)O)CC(C)C
Compound: Pughiinin A
SMILES: O1C2=C(C(=CC(=C2)O)C)C[C@H]3[C@]1(CC=CC(CC=C([C@@H](C3)O)C)(C)C)C
Compound: 1-O-acetylterricolyne
SMILES: O=C(OCC1=CC=C(OC[C@@H](O)C#C)C=C1)C
Compound: Thalabetaotalic acid C
SMILES: O=C(O)/C(/NC(=O)CCCCCCCC)=C/C1=CC=C(O)C=C1
Compound: Acredinone A
SMILES: O=C1C(C2=C(OC)C(=CC(=C2C(=O)C3=C(OC)C=CC=C3OC)O)C)=C(C4=C(OC)C=CC=C4OC)C=5C1=C(OC)C(=CC5O)C
Compound: Cyclo-(D-Pipecolinyl-L-isoleucine)
SMILES: O=C1N2[C@@H](C(=O)N[C@H]1[C@H](CC)C)CCCC2
Compound: Conexipyrone B
SMILES: O=C1OC(=C(C)C(=C1C)O)CCC(C)C
Compound: Parnafungin C
SMILES: O=C1C2=C(O)C3=C(OC)C=4C5=C6N(OC(C6=CC=C5)=O)CC4C=C3OC2(C(=O)OC)[C@@H](O)CC1
Compound: Thalabetaotalamide A
SMILES: O=C(N)/C(/NC(=O)CCCCCCCCC)=C/C1=CC=C(O)C=C1
Compound: Acredinone B
SMILES: O=C(C1=C(OC)C=CC=C1OC)C2=C(C(OC)=C(C)C=C2O)C(=O)CC3=C(OC)C(=CC(=C3C(=O)C4=C(OC)C=CC=C4OC)O)C
Compound: 11-O-methylpseurotin A
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13OC([C@@H](O)[C@@H](OC)/C=C\CC)=C(C3=O)C)O
Compound: Conexipyrone C
SMILES: O=C1OC(=C(C)C(=C1C)O)CC[C@H](CC)C
Compound: 3-epi-Sulphostin
SMILES: S(=O)(=O)(O)NP(=O)(N1C(=O)[C@H](N)CCC1)N
Compound: Thalabetaotalamide B
SMILES: O=C(N)/C(/NC(=O)CCCCCCC(C)C)=C/C1=CC=C(O)C=C1
Compound: Preacredinone A
SMILES: O=C(C1=C(OC)C=CC=C1OC)C2=C(O)C=C(C)C(=C2COC(=O)C)OC
Compound: Thioholgamide B
SMILES: S(=O)(CCC(NC(=S)C(NC(=O)C(=O)C)C(C)C)C(=S)NC(C(=O)NC(C(=S)NC(C(=S)NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(CC2=CC=CC=C2)C(NC(C(NC=CSC1C)=O)C(O)C=3N(C=[N+](C3)C)C)=O)C)C(C)C)C)C)C)C)C
Compound: Muscoride B
SMILES: O=C(OCC=C(C)C)C=1N=C(C=2N=C(C=3N=C([C@H]4N(C(=O)[C@@H](NCC=C(C)C)[C@H](CC)C)CCC4)OC3)OC2C)OC1
Compound: Diplobifuranylone A
SMILES: O=C1OC(C2OC([C@@H](O)C)C=C2)CC1
Compound: Kailuin G
SMILES: O=C1O[C@@H](CC(=O)N[C@@H](C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)[C@H](O)C)=O)CC(C)C)CCCCCCCCCC
Compound: 9-oxostrobilurin K
SMILES: O=C(OC)C(=COC)C(C(=O)C=CC1=CC=2OC([C@H](OC(C=C)(C)C)COC2C=C1)(C)C)C
Compound: 3,5-dibromo-p-anisic acid
SMILES: BrC1=C(OC)C(Br)=CC(=C1)C(=O)O
Compound: Engyodontiumone G
SMILES: O=C1C2=C(OC3=C1[C@H](C(=O)OC)[C@H](O)[C@H](C3)O)C=C(CO)C=C2O
Compound: Spinoxazine A
SMILES: O=C1OC(=NC(=C1)N2C(=O)C[C@@H]([C@@H]2C)O)C=C(C)C
Compound: Kailuin H
SMILES: O=C1O[C@@H](CC(=O)N[C@@H](C(=O)N[C@@H](CO)C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)CC(C)C)=O)[C@H](O)C)=O)CC(C)C)CCCCCCCCC(C)C
Compound: Hericenone J
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2)C/C=C(/CCC=C(C)C)\C
Compound: Bilaid A
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(C)C)CC2=CC=CC=C2
Compound: Pacidamycin D
SMILES: O=C1N(C=CC(N1)=O)C2O/C(=C\NC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)CC=3C4=C(C=CC=C4)NC3)C)C(N(C(=O)C(N)C)C)C)/CC2O
Compound: Bohemamine D
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@]1(O)CC[C@@H]2C
Compound: Jahanyne
SMILES: O=C(N1[C@H](C(=O)C)CCC1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@@H](N(C(=O)[C@@H](C[C@H](CCCCC#C)C)C)C)C)CCC3)C)C(C)C)C)C(C)C)C)C(C)C)C)CC4=CC=CC=C4)CCC2
Compound: Bilaid C
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(C)C)C(C)C)CC2=CC=CC=C2
Compound: Epicoccin S
SMILES: S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OCC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O
Compound: Gualamycin
SMILES: O=C(O)[C@H](O[C@H]1O[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H]([C@H]2N)O)CO)[C@@H]([C@H]1O)O)CO)[C@@H](O)[C@@H](O)[C@H]3N[C@@H](CO)[C@@H]([C@H]3O)O
Compound: Bohemamine E
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@]1([C@H](O)[C@@H](O)[C@@H]2C)C
Compound: Bafilomycin L
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)[C@H](/C=C(/C=2OC(C(C)=CC2)C(C)C)\C)C
Compound: Bilaid B
SMILES: O=C(O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(C)C)C(C)C)CC2=CC=C(O)C=C2
Compound: Cytochalasin V
SMILES: O=C1O[C@]23C(=O)N[C@H](C2[C@H](C)C([C@H](C3C=CC[C@H](C)CCCC(C(C=C1C=O)=O)=O)O)=C)CC4=CC=CC=C4
Compound: Bafilomycin C2
SMILES: O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C(C)C(C2)OC(=O)/C=C/C(=O)O)C(C)C)OC)C)C
Compound: Bohemamine F
SMILES: O=C1C=C(NC(=O)C=C(C)C)N2[C@]1(C=C[C@@H]2C)C
Compound: Cladosporone A
SMILES: O=C1C2=C(C=CC(=C2[C@@H]3[C@H]([C@@H]1O)O3)O)[C@@H]4C5=C(C(O)=CC=C5)C(=O)CC4
Compound: Applanone C
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1(C(C(=O)C)=C[C@H]4O)C)C
Compound: Epothilone I3
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@@H](C)CC(CCCC(=CC2)C)C)C)(C)C)\C)C
Compound: Hapalindolinone A
SMILES: Cl[C@@H]1[C@@](C=C)([C@@]2(C#N)[C@@]3(C(=O)NC4=C3C=CC=C4)[C@H]2[C@@H](C1)C(=C)C)C
Compound: Bohemamine G
SMILES: O=C1C=C(NC(=O)/C=C/C(C)C)N2[C@]1(CC[C@@H]2C)C
Compound: Mangromicin C
SMILES: O=C1[C@H](C[C@@H]2O[C@@](CCC=3C(O[C@H](C1)[C@H](C3O)CCC)=O)(C[C@@H]([C@@H]2O)C)C)C
Compound: Naphthablin
SMILES: O=C1C=2OC(C3CC(OC(=O)C(C)C)C(CC3C2C(=O)C=4C1=C(O)C(=C(O)C4)C(C=C)(CO)C)C)(C)C
Compound: Applanone D
SMILES: O=C1C=C2[C@@]3([C@H](C([C@@H](O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1([C@@H](C(=O)C)C[C@H]5O)C)C)C
Compound: Phormidinine B
SMILES: O=C(O[C@@H](CCC/C=C/C=C/CCCC1=NC=CC=C1)C)C
Compound: Bohemamine H
SMILES: O=C1C=C(NC(=O)/C(=C/C)/C)N2[C@]1(CC[C@@H]2C)C
Compound: Austrovenetin
SMILES: O=C1C2=C(O)C=C(O)C(=C2CC=3C1=C(O)C=C(C)C3)C4=C(O)C=C(O)C=5C4=CC=6CC(O)(C)CC(C6C5O)=O
Compound: Applanone E
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1([C@@H](C(=O)C)C[C@H]5O)C)C)C
Compound: Dothideomynone A
SMILES: O=C1O[C@]([C@@H](C)C=2C1=C(O)C=C(O)C2C)(CO)C
Compound: Bohemamine I
SMILES: O=C1C=C(NC(=O)C2=CC=CC=C2)N3[C@]1(CC[C@@H]3C)C
Compound: Fusaperazine A
SMILES: S([C@@]1(NC(=O)[C@H](SC)NC1=O)CC2=CC=C(O)C=C2)C
Compound: (2S)-2-[(6S)-6-methyloctyl]-2H-uran-5-one
SMILES: O=C1O[C@@H](CCCCC[C@H](CC)C)C=C1
Compound: Applanlactone A
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1([C@@H]([C@@](O)(C[C@H]5OC(=O)[C@H](C5)C)C)C[C@H]4O)C)C
Compound: Saponaceolide K
SMILES: O=C1OCCC1=C[C@H](OC(=O)C)[C@H]2C(=C)CC[C@H](C2(C)C)CC=C3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: Dibetaeminin A
SMILES: O=C([C@@H]1[C@@H]2[C@@H](O[C@H]([C@H]2C)C)OC1)[C@H]([C@H](O)C)C
Compound: Stemphol A
SMILES: S(=O)(=O)(OC1=C(C(O)=CC(=C1)CCCCC)CCCC)O
Compound: BCA 11
SMILES: O=C1C(=C(O)C(OC)CC1)CC2C(=CCC2(O)C)C(CCCC(CO)C)C
Compound: Applanlactone B
SMILES: O=C1C=C2[C@]([C@H](C(=C)C)C[C@@H]3[C@]2(O3)[C@]4([C@]1([C@@H](/C(=C/[C@H]5OC(=O)[C@H](C5)C)/C)C[C@H]4O)C)C)(CCC(=O)O)C
Compound: Crobetabyanol B
SMILES: BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(OS(=O)(=O)O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5
Compound: Dibetaeminin B
SMILES: O=C([C@@H]1[C@H]2[C@@H]([C@@](C)(OC1)OC2)C)[C@H]([C@H](O)C)C
Compound: Stemphol B
SMILES: S(=O)(=O)(OC1=C(C(OC(=O)C)=CC(=C1)CCCCC)CCCC)O
Compound: 2,8-dichlororugulovasine A
SMILES: ClC1=C2NC(Cl)=C3C2=C([C@]4(OC(=O)C(=C4)C)[C@H](NC)C3)C=C1
Compound: Applanlactone C
SMILES: O=C1C=C2[C@]([C@H](C(=C)C)C[C@@H]3[C@]2(O3)[C@]4([C@]1([C@@H](/C(=C/[C@H]5OC(=O)[C@@H](C5)C)/C)C[C@H]4O)C)C)(CCC(=O)O)C
Compound: Xylariolide B
SMILES: O=C1O[C@](C(O)C(O)(CC)C)(C)[C@@H]([C@@H]1C)O
Compound: Dibetaeminin C
SMILES: O=C([C@@H]1[C@H](O[C@@H](C)[C@H]([C@H]1CO)C)O)[C@H](CC)C
Compound: Penicillimide
SMILES: ClC1=C(O)C=CC(=C1)CC(=O)NC(=O)CCC(=O)OC
Compound: Clostrubin B
SMILES: O=C1C=2C(O)=C3C4=C(C=5C=CC(C(C5C(=C4C2C=C(C1=C(O)C(O)C(O)C(O)COC)C)O)=O)=C(O)C)C(C)=CC3=O
Compound: Methyl applaniate A
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@]4([C@]1(C(=C[C@H]4O)[C@@](O)(CC(=O)C[C@@H](C(=O)OC)C)C)C)C
Compound: Dibetaeminin D/E
SMILES: O=C([C@H]1[C@@H]([C@@H]([C@H](C)OC1)C)CO)C(CC)C
Compound: 14-(N,N-dimethyl-L-valyloxy)paspalinine
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4C[C@@H]3OC(=O)[C@@H](N(C)C)C(C)C)C)(CC[C@@]27O[C@@H]1C(O7)(C)C)C
Compound: (1S,4S,7S,9R)-4-(1H-indol-3-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
SMILES: O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC=5C6=C(C=CC=C6)NC5
Compound: Colobetaolactone E
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H](C5OC(=O)C(C)=CC5)C)C[C@H]4OC(=O)C)(C)CCC3C=C2C=C1)C)(C)C
Compound: Applanoic acid B
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1([C@@H](/C(=C/C(=O)C[C@@H](C(=O)O)C)/C)C[C@H]4O)C)C
Compound: Spiciferone D
SMILES: O=C1C=C(O[C@@H]([C@@H]1C)C)[C@](C(=O)CCO)(CC)C
Compound: 1-hydroxy-4,7-dimethoxy-6-(3-oxobutyl)-9H-xanthen-9-one
SMILES: O=C1C2=C(OC3=C1C=C(OC)C(=C3)CCC(=O)C)C(OC)=CC=C2O
Compound: Botryoisocoumarin A
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2O)CO
Compound: Applanoic acid C
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@H]4[C@@]2(O4)[C@]5([C@]1(C(/C(=C/C(=O)C[C@@H](C(=O)O)C)/C)=C[C@H]5O)C)C)C
Compound: Arthrosporol B
SMILES: O1[C@@]2([C@@H](O)C=C([C@H]([C@H]12)O)CO)[C@@H](O)C=C(/C=C/[C@H]3C(=CC[C@H](C3(C)C)O)C)C
Compound: Spiciferone E
SMILES: O=C1C=C(O[C@@H]([C@H]1C)C)[C@](C(=O)CCO)(CC)C
Compound: SW-163A
SMILES: O=C1OC(C(=O)OC(C(NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)OC(C(OC(C(C1(C)C)O)CC3=CC=CC=C3)=O)C)C)C(CC)C
Compound: Cycloexpansamine A
SMILES: O=C1N[C@]23[C@@H](C(C)(C)[C@]4(C2)C(=O)N5C(CC(C=6C5=C4C=CC6O)=O)(C)C)C[C@]17N(CCC7)C3
Compound: CJ-21,164
SMILES: ClC1=C(OC(=O)[C@@]2(O)C(OC)=C(C(=O)C=C2C)C)C(=C(C)C(=C1O)C(=O)OC3=C(C(O)=C(C(=O)OC4=C(C(=C(C(=O)O)C(=C4)OC)C)C)C(=C3)C)C)C
Compound: Ophioparmin
SMILES: O=C1O[C@@H]2[C@@H](O[C@H](C2)C)C=3C1=C(O)C4=C(C(=O)C(OC)=CC4=O)C3O
Compound: Applanoic acid D
SMILES: O=C1C=C2C(=C(O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1(C(=CC4=O)[C@@](O)(CC(=O)C[C@@H](C(=O)O)C)C)C)C
Compound: Varioxiranol D
SMILES: Cl[C@H]([C@H](O)[C@H](O)[C@H](O)/C=C/C1=C(C(OC)=CC=C1)CO)C
Compound: Cycloexpansamine B
SMILES: O=[N+]([O-])[C@]12[C@@H](C(C)(C)[C@]3(C1)C(=O)N4C(CC(C=5C4=C3C=CC5O)=O)(C)C)C[C@@H]6CCCN6C2
Compound: Rubropunctatine
SMILES: O=C1C=2C(C=C(/C=C/C)OC2)=CC=3[C@]1(OC(=O)C3C(=O)CCCCC)C
Compound: [Ile4,7]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(N[C@@H](C(N[C@H]1C(CC)C)=O)CC(C)C)=O)CC(=O)O)=O)C(CC)C)=O)CC(C)C)CCC(=O)O)CCCCCCCCCCCC
Compound: (3S,4S)-4-methoxyhaemoventosin
SMILES: O=C1O[C@H]([C@@H](OC)C=2C1=C(O)C3=C(C(=O)C(OC)=CC3=O)C2O)C
Compound: Applanone A
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@]4([C@]1([C@@H](C(=O)C)C[C@H]4O)C)C
Compound: [(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(2-methylpropanoylamino)propanoate
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)C(C)C)C)C
Compound: Kipukasin E
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C3=C(OC)C=C(OC)C=C3C)O
Compound: Acremeremophilane H
SMILES: O=C1C=C2[C@]([C@H](C[C@H](C2)OC(=O)C)C)(C)C[C@H]1C(=C)C
Compound: [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(3-methylbutanoylamino)propanoate
SMILES: O=C1N2C3=C4O[C@H]([C@@H]2[C@@H](C1)OC)C=CC=CC[C@H](OC(=O)[C@H](NC(=O)CC(C)C)C)[C@@H]([C@H](C(=CCCC4=CC(=C3)O)C)O)C
Compound: 2-(hept-5-enyl)-3-methyl-4-oxo-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-b]-1,3-oxazine
SMILES: O=C1N2[C@@H](OC(=C1C)CCCCC=CC)CCC2
Compound: Applanone B
SMILES: O=C1C=C2[C@@](O)(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@]4([C@]1([C@@H](C(=O)C)C[C@H]4O)C)C
Compound: Apoptolidin G
SMILES: O=C1O[C@H]([C@@H](O)[C@@]2(O[C@@H]([C@H](C)[C@@H]([C@H]2C)O)C[C@@H](O[C@@H]3O[C@H]([C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)OC)C)[C@](C3)(O)C)C)COC)O)C[C@H](OC)[C@@H](O)CCC=C(C=C[C@H]([C@@H](C=C(C=C(C=C1C)C)C)C)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@@H]5O)O)C)C
Compound: Acremeremophilane I
SMILES: O=C1C=C2[C@@](C[C@@H](C(=C)CO)[C@@H](C2)O)(C)[C@H](C1)C
Compound: Jiangxienone
SMILES: O=C1C=CCCC1(OC(=O)/C=C/2\C(=O)CC[C@]3(C2CCC3[C@H](/C=C/C(C(C)C)C)C)C)C
Compound: [(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate
SMILES: O=C1N2C3=C4O[C@H]([C@@H]2[C@@H](C1)OC)C=CC=CC[C@H](OC(=O)[C@H](NC(=O)C(C)C)C)[C@@H]([C@H](C(=CCCC4=CC(=C3)O)C)O)C
Compound: Funiculosone
SMILES: O=C1C2=C(O[C@@]3([C@]1(O)C(=O)C=C(C)[C@@H]3O)C)C=CC=C2O
Compound: Rubrivivaxin
SMILES: O=C(OCCC(C(O)CC(=O)O)C)C1=CC(O)=C(O)C=C1
Compound: Emericellolide C
SMILES: O=C1O[C@@H](C(O)(C)C)CCC(=CCCC(C)=CCOC2=C(C=3CN([C@H]1CCC(=O)OC)C(=O)C3C=C2O)O)C
Compound: Vitroprocine A
SMILES: OC1=CC=C(C[C@H](N)[C@H](O)CC/C=C\CCCCCCC)C=C1
Compound: Fusaricate I
SMILES: O=C(O[C@H]([C@@H](O)C)C)C1=NC=C(CCCC)C=C1
Compound: Acremeremophilane J
SMILES: O[C@H]1C=C2[C@@](C[C@@H](C(=C)CO)[C@@H](C2)O)(C)[C@H](C1)C
Compound: Fradcarbazole B
SMILES: S=C(N([C@H]1[C@@H](OC)[C@@]2(O[C@H](C1)N3C=4C(=C5C(=O)NCC5=C6C4N2C7=C6C=CC=C7)C8=C3C=CC=C8)C)C)N
Compound: Acremeremophilane K
SMILES: O=C(O[C@H]1[C@H](C(=C)C)C[C@@]2([C@H](C[C@H](C=C2C1)O)C)C)C
Compound: Vitroprocine B
SMILES: OC1=CC=C(C[C@H](N)[C@H](O)C/C=C\CCCCCCCCCC)C=C1
Compound: 5-desoxyilludosin
SMILES: O=C/C(=C/1\[C@@]([C@@H]2[C@@H](O)CC(C2)(C)C)(CC1)C)/C
Compound: Fusaricate J
SMILES: O=C(O[C@@H]([C@@H](O)C)C)C1=NC=C(CCCC)C=C1
Compound: Vitroprocine C
SMILES: OC1=CC=C(C[C@H](N)[C@H](O)CCCCCCCCCCC)C=C1
Compound: Cystocin
SMILES: S(C[C@H](N)C(=O)N[C@H]1[C@@H](O)C(N2C3=NC=NC(=C3N=C2)N(C)C)OC1CO)C
Compound: Yaequinolone J2
SMILES: O=C1NC2=C(C=3O[C@@](C=CC3C=C2)(CCC=C(C)C)C)[C@]([C@H]1OC)(O)C4=CC=C(OC)C=C4
Compound: Fusaricate K
SMILES: O=C(O[C@H]([C@H](O)C)C)C1=NC=C(CCCC)C=C1
Compound: Acremeremophilane L
SMILES: O=C1OC2=C[C@]3(O)[C@@H](O)C=C[C@@H]([C@]3(CC2=C1C)C)C
Compound: Albatrellin
SMILES: O=C1C(=O)C(=C(C=2OC(C=C(C)C)=CC2CCC/C(=C/CC3=C(O)C=C(C)C=C3O)/C)C(=C1C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C
Compound: Paradictyoarthrin B
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@]34[C@@]1(O3)[C@H](O)[C@H](O)[C@](C4)(O)C
Compound: Vitroprocine D
SMILES: O=C(N[C@H]([C@H](O)CC/C=C\CCCCCCCCC)CC1=CC=C(O)C=C1)C
Compound: Acremeremophilane M
SMILES: O=C1OC2=C[C@@]3(O)[C@@H](O)CC[C@@H]([C@]3(CC2=C1C)C)C
Compound: Fusaricate H
SMILES: O=C(O[C@@H]([C@H](O)C)C)C1=NC=C(CCCC)C=C1
Compound: Neobacillamide A
SMILES: S1C(=NC(=C1)C(=O)NCCC2=CC=CC=C2)[C@H](NC(=O)C)C
Compound: Trienomycin A
SMILES: O=C1NC2=CC(O)=CC(=C2)CCC=C(C(O)C(C)C(CC=CC=CC=CC(C1)OC)OC(=O)C(NC(=O)C3CCCCC3)C)C
Compound: Vitroprocine E
SMILES: O=C(N[C@H]([C@H](O)CCCCCCCCCCC)CC1=CC=C(O)C=C1)C
Compound: Acremeremophilane N
SMILES: O=C1C=C2C=C3OC(=O)C(=C3C[C@]2(C)[C@H]([C@H]1OC(=O)C)C)C
Compound: Fusolanone A
SMILES: O=C1C=C(OC(=C1)/C(=C/[C@H](C[C@H](CC)C)C)/C)OC
Compound: Isoterreulactone A
SMILES: O=C1OC([C@]2(O)CC[C@@]3([C@]([C@]2(CC1)C)(O)CC=4C(=O)OC(=CC4O3)C5=CC=C(OC)C=C5)C)(C)C
Compound: Malformin B1b
SMILES: S1SC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC([C@@H](NC([C@@H](C1)NC2=O)=O)C(C)C)=O)CC(C)C)CC(C)C
Compound: 2-benzylsuccinyl-CoA
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)Cc1ccccc1
Compound: Vitroprocine F
SMILES: O=C(N[C@H]([C@H](O)CC/C=C\CCCCCCC)CC1=CC=C(O)C=C1)C
Compound: Fusolanone B
SMILES: O=C1OC(/C(=C/[C@H](C[C@H](CC)C)C)/C)=CC(=C1)O
Compound: Acremeremophilane A
SMILES: O=C1C=C2C=C[C@H](O)[C@@H]([C@@]2(C)C[C@H]1C(C(=O)O)=C)C
Compound: Sch56036
SMILES: O=C1N(C(=CC=2C1=C(O)C=3C4=C(O)C5=C(O[C@@H]6[C@H](O)C=C[C@@H]([C@@H]6C5=O)O)C(=C4CCC3C2)OC)C(CC)C)C
Compound: Pesudocyclocitrinol A
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C\C(O)C(O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Cristaldehyde A
SMILES: O=C1OC2=C(C(=C(O)C(=C2)CC=C(C)C)C=O)C=C1
Compound: Vitroprocine G
SMILES: O=C(N[C@H]([C@H](O)CC/C=C\CCCCCCCCCCC)CC1=CC=C(O)C=C1)C
Compound: Acremeremophilane O
SMILES: O=C1OC2=CC3=C[C@@H](O)[C@H]([C@@H]([C@]3(CC2=C1C)C)C)O
Compound: (3R,4S)-4-hydroxy-6-methoxy-7-chloromellein
SMILES: ClC1=C(O)C=2C(=O)O[C@H](C)[C@H](C2C=C1OC)O
Compound: Cristaldehyde B
SMILES: O=CC1=C(O)C(=CC2=C1C=C(CCCCC)[C@]3(O2)OC4=C(C(=C(O)C(=C4)CC=C(C)C)C=O)C=C3)CC=C(C)C
Compound: Vitroprocine H
SMILES: O[C@@H]([C@@H](N)CC1=CC=CC=C1)CCCCC/C=C\CCCC
Compound: (-)-Caprazamycin F
SMILES: O=C1N([C@H](C(=O)O)[C@@H](OC(=O)C[C@@H](OC(=O)C[C@@H](CC(=O)O[C@@H]2O[C@@H]([C@@H](OC)[C@H]([C@H]2OC)OC)C)C)CCCCCCCCC(C)C)CN([C@H]1C(O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H]4O[C@@H](N5C(=O)NC(=O)C=C5)[C@@H]([C@@H]4O)O)C)C
Compound: Marformycin F
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)=O)CCCN2)=O)CC3=CC=C(OC)C=C3)C
Compound: Acremeremophilane B
SMILES: O=C1C=C2C=C[C@H](OC(=O)CC/C=C/C)[C@@H]([C@@]2(C)C[C@H]1C(C(=O)O)=C)C
Compound: Cristaquinone A
SMILES: ClC1=C(C(=C(O)C=C1C)C(=O)OC)CC=2C(=O)C(OC)=CC(C2)=O
Compound: (-)-applanatumol W
SMILES: O=C(OC)[C@@H]1[C@@H](C(=O)C2=C(O)C=CC(=C2)O)[C@H](C(C=O)=C)CC1
Compound: Vitroprocine I
SMILES: O=C(N[C@H]([C@H](O)CCCCCCCCCCC)CC1=CC=CC=C1)C
Compound: Cyclotryprostatin A
SMILES: O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3C=C(C)C)CCC2
Compound: Acremeremophilane C
SMILES: O=C1/C(=C(/C(=O)O)\C)/C[C@@]2([C@H]([C@@H](OC(=O)CC/C=C/C)C=CC2=C1)C)C
Compound: Botryosulfuranol A
SMILES: S([C@]12N(O[C@]3([C@H]1O)C(=O)C=CCC3)C(=O)[C@]4(OC=5C=CC=CC5[C@@H]4SC)N(C2=O)C)C
Compound: benzyl 2-methyl-3-hydroxybutanoate
SMILES: CC(O)C(C)C(=O)OCc1ccccc1
Compound: Microviridin G
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CCC(=O)NCCCC[C@@H]3NC(=O)[C@H](CC(C)C)NC([C@H]([C@H](OC(C[C@H]4C(N[C@H](C(N[C@H]1CCC(=O)OC[C@H](NC(=O)[C@H]5N(C(=O)[C@H](CC6=CC=C(O)C=C6)NC3=O)CCC5)C(=O)N4)=O)CC=7C8=C(C=CC=C8)NC7)=O)=O)C)NC(=O)[C@@H](NC(=O)[C@H]9N(C(=O)[C@@H](NC(=O)C)CC%10=CC=C(O)C=C%10)CCC9)CCC(=O)N)=O
Compound: (-)-(2Z,4E)-4'-hydroxy-y-ionylideneacetic acid
SMILES: O=C(O)\C=C(/C=C/[C@H]1C(=C)C[C@H](O)CC1(C)C)\C
Compound: Vitroprocine J
SMILES: O=C(N[C@H]([C@H](O)CCCCC/C=C\CCCC)CC1=CC=CC=C1)C
Compound: Acremeremophilane D
SMILES: O=C1C=C2C=C[C@H](OC(=O)CC/C=C/C)[C@@H]([C@@]2(C)C[C@H]1/C(=C\OC)/C=O)C
Compound: Botryosulfuranol B
SMILES: S([C@@]12N(O[C@@]3([C@@H]1O)C(=O)CCCC3)C(=O)[C@@]4(OC=5C=CC=CC5[C@@H]4SC)N(C2=O)C)C
Compound: (+)-applanatumol W
SMILES: O=C(OC)[C@H]1[C@H](C(=O)C2=C(O)C=CC(=C2)O)[C@@H](C(C=O)=C)CC1
Compound: F-10748 A2
SMILES: O=C(OC1C(OC2OC(C(O)C(C2O)O)CO)C(OC(C1O)C3=C(O)C=C(O)C=C3CO)CO)/C=C/C=C/CC(O)C(CCC/C=C/C(CC)C)C
Compound: Acremeremophilane E
SMILES: O=C1O[C@@]2(O)C=C3C=C[C@@H]([C@@H]([C@]3(CC2=C1C)C)C)OC(=O)CC/C=C/C
Compound: Botryosulfuranol C
SMILES: S1S[C@H]2C3=C(C=CC=C3)O[C@]24C(N5[C@]1(C(=O)N4C)[C@H](O)[C@]6(C(=O)C=CCC6)O5)=O
Compound: Divergolide L
SMILES: O=C1NC2=C(C(=O)C=3C(=C(O)C(=CC3C2=O)C)C(=O)CC[C@H](/C=C/[C@H](O)[C@@H](O)C=C(C)C)CC)C(=CC1)C
Compound: Nocarbenzoxazole A
SMILES: O=C(O)C1=CC=2N=C(C3=CC(NC(=O)C)=C(O)C=C3)OC2C=C1
Compound: Acremeremophilane F
SMILES: O=C1O[C@@]2(O)C=C3C=C[C@@H]([C@@H]([C@]3(CC2=C1CO)C)C)OC(=O)CC/C=C/C
Compound: Tubulysin F
SMILES: S1C(=NC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C(=O)O)C)[C@H](OC(=O)C)C[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]3N(CCCC3)C)[C@H](CC)C)COC(=O)CC)C(C)C
Compound: Kadhenrischinin A
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@H](C5)C6)(O)C)C[C@@H]4O)(C)CCC3C=C2C=C1)C)(C)C
Compound: Divergolide M
SMILES: O=C1C(N)=CC(=O)C2=C1C=C(C)C(=C2C(=O)CC[C@H](/C=C/C(=O)O)CC)O
Compound: Volucrisporin
SMILES: O=C1C(C2=CC(O)=CC=C2)=CC(=O)C(=C1)C3=CC(O)=CC=C3
Compound: Varioxirane
SMILES: O1[C@H]([C@H](O)[C@H](O)/C=C/C2=C(C(OC)=CC=C2)CO)[C@H]1C
Compound: Acremeremophilane G
SMILES: O=C1C=C2[C@]([C@H](C[C@H](C2)O)C)(C)C[C@H]1C(=C)C
Compound: Kadhenrischinin B
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@@](C5)(O)C6)(O)C)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: Divergolide N
SMILES: O=C1C(NC(=O)C)=CC(=O)C2=C1C=C(C)C(=C2C(=O)CC[C@H](/C=C/C(=O)O)CC)O
Compound: Sydowic acid
SMILES: O=C(O)C1=CC(O)=C([C@]2(OC(CCC2)(C)C)C)C=C1
Compound: Xanthoquinodin A6
SMILES: O=C1C2=C(O)C3=C(O)C=C(C)C=C3[C@@H]([C@]24C=C[C@H]1C5=C(O)C=6C(O)=C7C(=O)CC[C@@H]([C@@]7(C(=O)OC)OC6C=C5C4)O)O
Compound: Griseusrazin A
SMILES: O=CN(C1=CC=C(CC2=NC(=C(CC3=CC=C(N(C=O)C)C=C3)N=C2C)C)C=C1)C
Compound: Kadhenrischinin C
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@H](C5)C6)(O)C)[C@@H](C4)O)(C)CCC3C=C2C=C1)C)(C)C
Compound: Chromomycin A5
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C(C)C)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)C
Compound: Blennione
SMILES: O=C1C(=N)C(=C(O)C(=C1)C2=C(O)C(=C(N)C(=C2)OC)C(=O)O)C(=O)O
Compound: Melearoride A
SMILES: O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC=C(C)C)C=C2)C)=O)C)CCCCC
Compound: Spicarin A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C(C[C@H]1[C@H]4O[C@H](OC)C=5C4=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C5C)=O)OC(=O)C)C)C)CC(C)C
Compound: Terrestrin F
SMILES: O=C(OC1=C(C(OC(=O)C)=C(OC(=O)CC2=CC=CC=C2)C3=C1OC=4C=C(O)C(=CC34)O)C5=CC=C(O)C=C5)CC6=CC=CC=C6
Compound: Kadhenrischinin D
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@@H]6OC(=O)[C@@]([C@H](C5)C6)(O)C)CC4)(C)C[C@H](C3C=C2C=C1)O)C)(C)C
Compound: Dihydroaltenuene B
SMILES: O=C1O[C@@]2([C@H](C[C@H](O)[C@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Spicarin B
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@H]4[C@H]1[C@H]5O[C@@H]4C=6C5=C(C(OC(=O)C)=C(OC(=O)C)C6OC(=O)C)C)=O)OC(=O)C)C)C)CC(C)C
Compound: Melearoride B
SMILES: O=C1O[C@@H](CC[C@@H](CCCCC(N([C@H]1CC2=CC=C(OCC(O)C(O)(C)C)C=C2)C)=O)C)C[C@@H](O)CCC
Compound: B-5354c
SMILES: O=C(OCCCCCC/C=C\CCCCCC)C1=CC(O)=C(N)C=C1
Compound: Kadhenrischinin E
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@H](O)C[C@@H](C5)[C@@](OC(=O)C)(C(=O)O)C)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: Malacosterone
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@@H](C(O)([C@H](O)CCC(O)(C)C)C)[C@H](C3)O)(CCC2[C@@]4([C@H]1C[C@@H](O)[C@H](C4)O)C)C
Compound: Spicarin C
SMILES: O=C(OC1=C(OC(=O)C)C(=C2[C@@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C
Compound: Wewakazole B
SMILES: O=C1N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C=3OC=C(N3)C(=O)N[C@H](C(=O)N4[C@H](C(=O)N5[C@H](C(NCC(N[C@H](C6=NC(C(N[C@H](C7=NC1=C(O7)C)C)=O)=C(O6)C)CC8=CC=CC=C8)=O)=O)CCC5)CCC4)C)[C@H](CC)C)CCC2)CC9=CC=CC=C9
Compound: (1S,2S)-3-oxo-2-pentylcyclopentane-1-hexanoic acid methyl ester
SMILES: O=C1[C@H]([C@@H](CCCCCC(=O)OC)CC1)CCCCC
Compound: Kadhenrischinin F
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@H](O)C[C@@H](C5)[C@@](O)(C(=O)O)C)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: Applanatine C
SMILES: O([C@@H]1C2=C(C(=C(CCOC)C(=C2)CO)C)CC1(C)C)C
Compound: Spicarin D
SMILES: O=C(OC1=C(OC(=O)C)C(=C2[C@H](OC)O[C@@H](C2=C1OC(=O)C)[C@@H]3OCC=4C3=C(OC(=O)C)C(OC(=O)C)=C(OC(=O)C)C4C)C)C
Compound: Outovirin A
SMILES: S1[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@H]([C@H]1C5=C(O)C(OC)=C(OC)C=C5)N(C3=O)C
Compound: Tolypocladenol B
SMILES: O=C1N[C@H]([C@H](O)C2=CC=C(O)C=C2)C(C1=C(O)[C@H](C[C@H](CC=CC)C)C)=O
Compound: Kadhenrischinin G
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@H](OC(=O)C)C[C@@H](C5)[C@@](OC(=O)C)(C(=O)O)C)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: (2E,4E,6E,8E)-9-[2-[(1E,3E)-4-carboxybuta-1,3-dienyl]phenyl]nona-2,4,6,8-tetraenoic acid
SMILES: O=C(O)/C=C/C=C/C1=C(C=CC=C1)/C=C/C=C/C=C/C=C/C(=O)O
Compound: Outovirin C
SMILES: S1S[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@H]([C@H](S1)C5=C(O)C(OC)=C(OC)C=C5)N(C3=O)C
Compound: Gliomasolide A
SMILES: O=C1OC(CCCCC[C@H](CC[C@@H](C=C1)O)O)CCCCC
Compound: Kadhenrischinin H
SMILES: O=C1OC([C@@H]2CCC=3[C@]4([C@](C([C@H]5[C@H](O)C[C@@H](C5)[C@@](O)(C(=O)OC)C)CC4)(C)CCC3C=C2C=C1)C)(C)C
Compound: 3'-O-demethyl mutactimycin
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C(=C2C(=O)C=5C1=C(OC)C(=CC5)C)O
Compound: Colletotrichone A
SMILES: O=C1C=C2C=C(O[C@@H]3[C@@]2(O)[C@@]4([C@]1(OC(=O)C4=C([C@H](CC)C)O3)C)O)C
Compound: Gliomasolide B
SMILES: O=C1O[C@@H](CCCCC[C@H](C[C@@H]([C@@H](C=C1)O)O)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CCCCC
Compound: (5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid
SMILES: O=C1/C(=C/C(=O)CC(C(=O)O)C)/[C@@H]2CCC([C@H]1C2)=C
Compound: 7beta-schinalactone C
SMILES: O=C1O[C@H]([C@H]([C@@H]2[C@@]3([C@@](C4[C@]5([C@]([C@H](C(O)(C)C)C[C@@H]4O)(CCC(=O)O)C5)CC3)(C)CC2)C)C)CC=C1C
Compound: Simplicilliumtide C
SMILES: O=C(O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)C)[C@@H](CC)C)C)CC1=CC=CC=C1)CC(C)C
Compound: Gliomasolide C
SMILES: O=C1O[C@@H](CCCCC[C@H]([C@@H]([C@@H]([C@@H](C=C1)O)O)O)O)CCCCC
Compound: Colletotrichone B
SMILES: O=C1C=C2C(=COC(=C2)C)[C@@H]3[C@]1(OC(=O)[C@H]3C(=O)[C@H](CC)C)C
Compound: Spiromastol D
SMILES: O=C(O)C1=C(OC2=C(O)C=C(O)C=C2CCC)C=C(O)C=C1CCC
Compound: Irpeksolactin H
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CC[C@@H](O)C(O)(C)C)[C@@H](C4)O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Unguisin B
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CC=2C3=C(C=CC=C3)NC2)C(NCCCC(N[C@@H](C(N[C@@H]1C(C)C)=O)C)=O)=O)C)C(C)C)CC(C)C
Compound: Gliomasolide D
SMILES: O=C1O[C@@H](CCCCC[C@H](C[C@@H]([C@@H](C=C1)O)O)O)CCCC(O)C
Compound: Colletotrichone C
SMILES: O=C1C=C2C=C(OC[C@H]2[C@H]3[C@]1(OC(=O)[C@@H]3C(=O)[C@H](CC)C)C)C
Compound: Carbonarin I
SMILES: O=C1C=2C(OC(C1)(O)C)=C(C3=CC(OC)=CC(=C3C2O)OC)C4=C(O)C=CC(=C4)C=5C(=O)NCC5CC6=CC(OC)=C(O)C=C6
Compound: Irpeksolactin I
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)(C)C[C@H]1O)C)CCC(O)C(OC)(C)C
Compound: Gliomasolide E
SMILES: O=C1O[C@@H](CCCC(O)C[C@H](C[C@@H](CC=C1)O)O)CCCCC
Compound: FR901451
SMILES: O=C1NC(C(=O)O)CC(=O)NCCCCC2NC(=O)C(NC(C(C(OC(CC3C(NC(C(NC1CC(=O)OCC(NC(=O)C4N(C(=O)C(CC5=CC=CC=C5)NC2=O)CCC4)C(=O)N3)=O)CC=6C7=C(C=CC=C7)NC6)=O)=O)C)NC(=O)C(N)C(O)C)=O)CC(C)C
Compound: (1beta,4beta,4abeta,8aalpha)-4,8a-dimethyloctahydronaphthalene-1,4a(2H)-diol
SMILES: O[C@]12[C@@]([C@H](O)CC[C@@H]1C)(CCCC2)C
Compound: Epi-cladoquinazoline
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@@H](NC([C@H]2C[C@]4(O)C(=O)NC5=C4C=CC=C5)=O)C(C)C
Compound: Aspergone A
SMILES: O=C1O/C(=C\C=C\CO)/C=C1CCC
Compound: 4-O-methylarmillaridin
SMILES: ClC1=C(OC)C=C(O)C(=C1C)C(=O)O[C@H]2[C@@]3(OC)C(=C[C@@H]4CC(C[C@@H]4[C@@]3(C)C2)(C)C)C=O
Compound: Irpeksolactin J
SMILES: O=C(O)[C@H]1[C@@H]2[C@@]3([C@@](C=4C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)=CC3)(C)C[C@H]2O[C@H](CC1)C(O)(C)C)C
Compound: (1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethyloctahydronaphthalene-1,4a,7(2H)-triol
SMILES: O[C@]12[C@@]([C@H](O)CC[C@@H]1C)(C[C@H](O)CC2)C
Compound: methyl homosekikate
SMILES: O=C(OC1=C(O)C(=C(CCCCC)C=C1OC)C(=O)OC)C2=C(O)C=C(OC)C=C2CCC
Compound: Laingolide A
SMILES: O=C1N(C=CCC(=O)OC(C(C)(C)C)CC(CCCCC1C)C)C
Compound: Aspergone B
SMILES: O=C1O\C(=C/C=C/C)\C=C1C[C@@H](O)C
Compound: Irpeksolactin A
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C(C(=C(C)C=C3)CCC(O)C(O)(C)C)CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C
Compound: 19-methoxybafilomycin C1 amide
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C(=O)N)C(C)C)OC)C)C
Compound: Mangromicin G
SMILES: O=C1[C@@H](C[C@@H](O)[C@@H]2O[C@](CCC=3C(O[C@H](C1)[C@H](C3O)CCC)=O)(CO)C[C@@H]2C)C
Compound: Applanoxidic acid A
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](/C(=C/C(=O)CC(C(=O)O)C)/C)C[C@@H]5O)C)C)C
Compound: Aspergone C
SMILES: O=C1O/C(=C\C[C@H](O)C)/C=C1CCC
Compound: Irpeksolactin B
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)(C)[C@H]([C@H]1O)O)C)CCC(=C)C(C)C
Compound: 21-deoxybafilomycin A1
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)CC2)C(C)C)O)C)C
Compound: 1-(2,6-Dihydroxy-4-methoxyphenyl)-6Z,9Z,12Z,15Z-octade-catetraen-1-one
SMILES: O=C(C1=C(O)C=C(OC)C=C1O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: WS-30581A
SMILES: O1C(C=2C3=C(C=CC=C3)NC2)=CN=C1CCC
Compound: Aspergone D
SMILES: O=C1O/C(=C\C[C@@H](O)C)/C=C1CCC
Compound: Irpeksolactin C
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H]([C@@H]4O)O)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: 21-deoxybafilomycin A2
SMILES: O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)CC2)C(C)C)OC)C)C
Compound: Goadsporin
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)NCC(=O)NCC=2OC(C)=C(N2)C(=O)N[C@H](C(=O)NC(C=3OC=C(N3)C(=O)N[C@H](C(=O)NCC=4SC=C(N4)C(=O)N[C@H](C(=O)O)C(C)C)C)=C)CC(C)C)CO)[C@@H](NC(=O)[C@@H](NC(=O)C=5N=C(C(NC(=O)[C@@H](NC(=O)C=6N=C([C@@H](NC(=O)C)C)OC6C)C(C)C)=C)OC5C)[C@H](CC)C)CC(C)C
Compound: Cyclodysidin C
SMILES: O=C1N[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N)C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](O)C)=O)CO)=O)CC(=O)N)=O)CC2=CC=C(O)C=C2)=O)CCC(=O)N)CO)CCCCCCCCCCCC
Compound: Irpeksolactin D
SMILES: O=C1C=C2[C@@](CC[C@H](C2(C)C)O)(C)C=3[C@@H]1[C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H](C4)O)(C)CC3)C
Compound: Aspergone E
SMILES: O=C1O[C@H](/C=C\C=C)[C@H]([C@@H]1CCC)O
Compound: Chermesin A
SMILES: O=C1C(=C2O[C@@]3([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@@H]3C)C)C[C@]2(C)C(=C1)C)C
Compound: Cordycepol A
SMILES: O1[C@@H]2C=C(CC[C@]23[C@@H](CC[C@H]3C)[C@](C1)(O)C)C
Compound: Gabosine N
SMILES: O=C1C(=C[C@@H](O)[C@H]([C@H]1O)O)C
Compound: Irpeksolactin E
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)(C)[C@H]([C@H]1O)O)C)CCC=C(C)C
Compound: Aspergone F
SMILES: O1[C@H](/C=C/C=C)[C@@H](O)\C(\C1)=C\CC
Compound: Chermesin B
SMILES: O=C1C(=C2O[C@@]3([C@@]4([C@H](C(C(=O)CC4)(C)C)CC[C@@H]3C)C)C[C@]2(C)C(=C1)C)C
Compound: Disorazole-E2
SMILES: O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC2OC2C=CC(OC)CC=3OC=C(N3)C(=O)OC(CC=C[C@@H]4[C@@H](C=CC=CC5=NC1=CO5)O4)C(C(O)/C=C/C)(C)C
Compound: (+)-(5S,10S)-4′-hydroxymethylcyclozonarone
SMILES: O=C1C2=C(C(=O)C=C1CO)C=C3[C@@]4([C@H](C(CCC4)(C)C)CCC3=C2)C
Compound: Irpeksolactin F
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@]([C@]34OO[C@@]5(C([C@@H](O)CC[C@@]5(C3=CC2)C)(C)C)C=C4)(C)C[C@H]1O)C)CCC=C(C)C
Compound: Aspergone G
SMILES: O=C1C=C(CCC)[C@@H]([C@H]1CC=C)O
Compound: Chermesin C
SMILES: O=C1C(=C2O[C@@]3([C@@]4([C@H](C([C@@H](O)CC4)(C)C)C[C@@H]([C@@H]3C)O)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Compound: L681512-3
SMILES: S(=O)(=O)(O[C@@H]1C([C@H]2[C@](C3=C(C4=CC[C@@H]([C@@]4(C)[C@H]([C@@H]3O)OC(=O)C)C(CCC5(OC5)C(O)(C)C)C)CC2)(C)C[C@H]1OC(=O)CC(O)CCCCCCCCCCCCC)(C)C)O
Compound: Decaspirone C
SMILES: O=C1C=CC2(OC=3C=4C(C=CC3)=CC=CC4O2)[C@H]5[C@H]1[C@@H](O)CC[C@H]5O
Compound: Irpeksolactin G
SMILES: O=C1C([C@@]23OO[C@]4([C@]5([C@]([C@@H]([C@H](C(=O)O)CCC=C(C)C)[C@@H](C5)O)(C)CC=C4[C@@]2(C)CC1)C)C=C3)(C)C
Compound: Aspergone H
SMILES: O=C1C=C(CCC)[C@H]([C@@H]1CC=C)O
Compound: (+)-applanatumol R
SMILES: O=C(O)[C@]1(O[C@@H](C(CO)C)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Compound: Aspergone I
SMILES: O[C@@](/C=C/C)(CO)C/C=C/C=C/C
Compound: Cephalosporolide I
SMILES: O=C1O[C@@H]2C[C@]3(O[C@H](CCCC(=O)O)CC3)O[C@@H]2C1(C)C
Compound: Cochlearol V
SMILES: O=C(OC)C1=CC=2C3=C(OC(C2C=C1)(C)C)C=CC(=C3)O
Compound: Pelianthinarubin A
SMILES: O=C1C(=O)C=2NC=C3C2C4=C1[C@H](N5C=NC(=C5)C[C@H]([N+](C)(C)C)C(=O)O)CCN4[C@H](C(=O)O)C3
Compound: Aspergone J
SMILES: O[C@](/C=C/C=C/C=C)(CO)CCC
Compound: Coloratin A
SMILES: O=C1OC=C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)O)C=C1CCCCC
Compound: Glucosylsucrose derivative 2
SMILES: O1C(O[C@@]2(OC(CO)[C@@H]([C@H]2O)O)CO)C(O[C@H]3OC([C@@H](O)C([C@@H]3O[C@H]4OC([C@@H](O)C(C4O)O)CO)O)CO)C(O)C(C1CO)O
Compound: Cochlearol N
SMILES: O=C(O)[C@]1(CC2=C[C@@H](O)[C@@H](O)C([C@H]2CC1)(C)C)CC(=O)C3=C(O)C=CC(=C3)O
Compound: Pelianthinarubin B
SMILES: O=C1C(=O)C=2NC=C3C2C4=C1[C@H](N5C=NC(=C5)[C@@H](O)[C@H]([N+](C)(C)C)C(=O)O)CCN4[C@H](C(=O)O)C3
Compound: PA-789-80
SMILES: C(C#C)#CC=C=C
Compound: (+/-)-cochlearol W
SMILES: O=C1C=C2C3=C(O[C@@]([C@@]2(O)CC1)(CCC=C(C)C)C)C=CC(=C3)O
Compound: Aspergone K
SMILES: O[C@](/C=C/C=C\C=C)(CO)CCC
Compound: Arestrictin B
SMILES: O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C(=C(CC=C(C)C)C=C3)CC=C(C)C)NC2C(C=C)(C)C)C
Compound: Laxitextine A
SMILES: O1[C@]2(O)[C@@]3(O)[C@@H](OC[C@H]2O)O[C@H]4[C@H]3[C@@H](C1)CC[C@@H]5C6=C(C(C)C)CC[C@]6(C)CC[C@@]45C
Compound: Pseudoalterobactin B
SMILES: S(=O)(=O)(O)C1=C(O)C(O)=C(C(=O)NCCCCC(N)C(O)CC(=O)NC(C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NCC(NCCCC2)=O)C(O)C(=O)O)CCCN=C(N)N)C(O)C(=O)O)CC(=O)N)C=C1
Compound: Sorbicillinol
SMILES: O=C1C(=C(O)C(C(=O)/C=C/C=C/C)=C[C@@]1(O)C)C
Compound: (+/-)-cochlearol X
SMILES: O=C1C=C2C3=C(OC([C@@]2(O)CC1)(C)C)C=CC(=C3)O
Compound: Aspergone L
SMILES: O[C@@H](C/C=C/C=C(\C=C\C)/CO)C
Compound: Laxitextine B
SMILES: O1[C@@H]2O[C@H]3[C@@]4([C@H](C5=C(C(C)C)CC[C@@]5(C)CC4)CC=C6[C@@H]3[C@]2(O)[C@@]7(O[C@H]6O[C@@]7(C1)O)O)C
Compound: Ro09-1544
SMILES: O1C(/C(=C/C=C/C=C/C=C/C)/C)C(O)C(OC)C(C1)C
Compound: (+/-)-cochlearol Y
SMILES: O=C1C=C2C3=C(O[C@@]([C@H]2CC1)(CCC=C(C)C)C)C=CC(=C3)O
Compound: Aspergone M
SMILES: O[C@@H](C/C=C/C=C(/CO)\CCC)C
Compound: Flavuside A
SMILES: O=C(N[C@H]([C@@H](O)/C=C/CCC/C=C(/CCCCCCCC)\C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCC
Compound: Austradixanthone
SMILES: O=C1C2=C(OC3=C1C(=CC(=C3OC4=C5OC6=C(C(O)=CC(=C6)CO)C(C5=C(C)C=C4O)=O)O)C)C(O)=C(O)C(=C2OC)O
Compound: 1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one
SMILES: Cl[C@@H]1C2=CC(=O)C(=C(C)C)C[C@@]2([C@@H](C)C[C@H]1O)C
Compound: Cochlearol O
SMILES: O=C(O)[C@]1(CC2=CC[C@H](O)C([C@@H]2CC1)(C)C)CC(=O)C3=C(O)C=CC(=C3)O
Compound: Aspergone N
SMILES: O[C@@H]1C(=C([C@@H](O)[C@H]([C@@H]1O)O)CO)/C=C/C
Compound: Pargamicin A
SMILES: O=C1N(O)C(C(=O)N2NCCCC2C(=O)N(C(C(=O)N3C(C(N(CC(NC1CC4=CC=CC=C4)=O)C)=O)CC(O)CN3)C(O)(C)C)C)C(CC)C
Compound: Dienetriol
SMILES: OC(\C(=C/C=C/C)\CO)C(O)C
Compound: (+)-austrosene
SMILES: O=C(O)C1=CC=C([C@@](O)(CCCC(O)(C)C)C)C=C1
Compound: Aspergone O
SMILES: Cl[C@H]1[C@H](O)C(=C(/C=C/C)[C@H]([C@@H]1O)O)CO
Compound: Grenadadiene
SMILES: Br/C(=C\C=C/OC(=O)CC[C@@H]1[C@@H](CCCCCCC)C1)/COC(=O)C
Compound: Cochlearol P
SMILES: O=C(O)[C@@]1(O[C@@]2([C@H](C([C@@H](O)CC2)(C)C)CC1)C)CC(=O)C3=C(O)C=CC(=C3)O
Compound: Agripilol C
SMILES: O[C@]1([C@H]2[C@@H](C=C(CO)CC2)[C@H](C(CO)C)CC1)C
Compound: Chilenopeptin A
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](CO)CC2=CC=CC=C2)CC(C)C)(C)C)CCC(=O)N)(C)C)(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C)(C)C)CO)CC=3C4=C(C=CC=C4)NC3)(C)C
Compound: Cochlearol Q
SMILES: O=C(O)C1(OC2([C@H](O[C@@H](C(O)(C)C)CC2)CC1)C)CC(=O)C3=C(O)C=CC(=C3)O
Compound: Aspergone P
SMILES: O1[C@H]2[C@H](O)C(/C=C/C)=C([C@H]([C@@H]12)O)CO
Compound: Penipratynolene
SMILES: O=C(OC)C1=CC=C(OC[C@H](O)C#C)C=C1
Compound: Thalabetaospiramide B2
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)OC[C@@H](C=C1)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)C/C=C\CCCCCC)CO)C(C)C)CO)C(C)C)CC2=CC=C(O)C=C2)C)C(C)C
Compound: Chilenopeptin B
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](CO)CC2=CC=CC=C2)CC(C)C)(C)C)CCC(=O)N)(C)C)(C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C)(C)C)CO)CC3=CC=CC=C3)(C)C
Compound: Aspergone Q
SMILES: O=C1O[C@@H]2C(=C(CO)[C@H]([C@H]([C@@H]2O1)O)O)/C=C/C
Compound: (+/-)-cochlearol R
SMILES: O1C2=C(C=C(O)C=C2)C3C(C1(CO3)CC/C=C(/CCC=C(C)C)\C)O
Compound: Prenyl-beta-elemene
SMILES: C(=C)([C@H]1C[C@@H](C(=C)C)[C@@](C=C)(C)CC1)CCC=C(C)C
Compound: Malformin B4
SMILES: S1SC[C@H]2NC(=O)[C@@H](NC(=O)[C@H](NC([C@@H](NC([C@@H](C1)NC2=O)=O)C(C)C)=O)[C@@H](CC)C)[C@H](CC)C
Compound: Aspewentin D
SMILES: O=C1C2=C[C@@](C=C)(CC[C@]2(O)[C@@]3(O)CCCC(C3=C1)(C)C)C
Compound: Penicilliumolide A
SMILES: ClC1=C(OC)[C@@]2(OC(=O)[C@@H](C2)O)C=3OC(=O)C4=C(C3[C@]1(O)C)C=C(OC)C=C4O
Compound: (+/-)-cochlearol S
SMILES: O1C2=C(C=C(O)C=C2)[C@H]3C=C(CO)CC[C@H]3[C@@]1(CCC=C(C)C)C
Compound: 3a-(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic  acid
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(O)(CC(=O)OC)C)CC4)(C)C)CC3)C)CC2)(C)CC1)C)CCC(=C)C(C)C
Compound: 10'-oxorelgro
SMILES: O=C1O[C@H](CCCCCC=2C1=C(O)C=C(O)C2)CCCC(=O)C
Compound: Penicilliumolide B
SMILES: O=C1OC=2C(=O)C(OC)=C[C@@](C2C=3C1=C(O)C=C(OC)C3)(O)C
Compound: (+/-)-cochlearol T
SMILES: O1C2=C(C=3C=C(O)C=CC3[C@]1(CCC=C(C)C)C)C=C(O)C=C2
Compound: Aspewentin E
SMILES: O=C1C2=C[C@@](C=C)(CC[C@@H]2[C@@]3(O)[C@H](O)CCC(C3=C1)(C)C)C
Compound: Xanthoradone B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C3=C(O)C(C4=C(O)C=5C(=O)C=C(C)C(C5C=C4OC)=O)=C(OC)C=C3C2)C
Compound: (-)-ethyl nonactate
SMILES: O=C(OCC)[C@@H]([C@@H]1O[C@H](C[C@@H](O)C)CC1)C
Compound: Penicilliumolide D
SMILES: ClC1=C(OC)C(O)=C2OC(=O)C3=C(C2=C1C)C=C(OC)C=C3O
Compound: Aspewentin F
SMILES: O=C1C2=C[C@@](C=C)(CC[C@@H]2[C@@]3(O)CC[C@H](C(C3=C1)(C)C)O)C
Compound: Difluostatin A
SMILES: O=C1C2=C(C=3C(=O)C=4C=CC=C(C4C3C(=C2)O)O)[C@@H](C5=C(O)C6=C(C(=O)C=7C6=C(O)C=CC7)C=8C5=CC(C)=CC8O)[C@H]9[C@@]1(O9)C
Compound: (+/-)-cochlearol U
SMILES: O=CC1=CC=2C3=C(O[C@](C2C=C1)(/C=C/C=C(C)C)C)C=CC(=C3)O
Compound: [(1aR,2R,3R,3'S,3aR,5R,7bS)-3'-(dimethoxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
SMILES: O=C1C=C2[C@]([C@H]([C@@H](OC(=O)C)[C@@H]3[C@H]2O3)C)(C)C[C@]14O[C@@]4(C(OC)OC)C
Compound: 5-hydroxydihydrofusarubin C
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@H](O)[C@H]3[C@@H]1CO[C@](C3)(O)C)O
Compound: Aspewentin G
SMILES: OC1=C2C(=C3CC[C@H](C(C3=C1)(C)C)O)CC[C@@]([C@@H]2O)(C=C)C
Compound: Mniopetal F
SMILES: O=C1O[C@H](O)[C@@H]2[C@]13[C@@H](O)CCC([C@@H]3CC=C2C=O)(C)C
Compound: Oxytropiol A
SMILES: O=C1C(=C[C@@H]2[C@@H](C[C@@H]([C@H]2[C@](C1)(O)CO)O)C)C(C)C
Compound: (E)-3-[3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid
SMILES: O=C1OC(=C(CO)C(=C1)OC)/C=C/C(=O)O
Compound: Aspewentin H
SMILES: OC1=C2C(=C3CC[C@H](C(C3=C1)(C)C)O)CC[C@@]([C@H]2O)(C=C)C
Compound: Terrelactone A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(OC)C=C3
Compound: Disorazol A
SMILES: O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC=CC=CC(OC)CC=2OC=C(N2)C(=O)OC(CC=CC3C(C=CC=CC4=NC1=CO4)O3)C(C(O)/C=C/C)(C)C
Compound: Oxytropiol B
SMILES: O=C1C(=C[C@@H]2[C@@](O)(CC[C@H]2[C@](C1)(O)CO)C)C(C)C
Compound: delta-rubromycin
SMILES: O=C1OC(C(=O)OC)=CC=2C1=C(O)C=3O[C@]4(OC=5C=C6C(=O)C(OC)=CC(C6=C(C5C4)O)=O)CCC3C2
Compound: Usenamine A
SMILES: O=C1/C(/C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(\N)/C
Compound: 2,3-seco-2,3-dioxo-lyngbyatoxin A
SMILES: O=C1N[C@@H](CC(=O)C2=C(N([C@H]1C(C)C)C)C=CC(=C2NC=O)[C@@](C=C)(CCC=C(C)C)C)CO
Compound: Pleurospiroketal A
SMILES: O=C1[C@@]2(OC(C1)(C)C)O[C@@H]3[C@@H](O)[C@](O)(C)CC[C@@H]3C2=C
Compound: Oxytropiol C
SMILES: O=C1C(=C[C@@H]2[C@@H](CC([C@H]2[C@](C1)(O)CO)=O)C)C(C)C
Compound: Usenamine B
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C)C(=C(C3O[C@@]2(C1)OCC)C(=O)C)O)C)C(=N)C
Compound: Cyclo(D-N-methyl-Leu-L-Trp)
SMILES: O=C1N([C@@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC(C)C)C
Compound: Sioxanthin
SMILES: O1[C@@H](OC([C@@H](O)/C=C/C=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=CC=C2C)C)C)\C)\C)/C)/C)(C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: Usenamine C
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C(=O)C)C(=C(C3O[C@@]2(C1)OCC)C)O)C)C(=N)C
Compound: Oxytropiol D
SMILES: O=C1C(=C[C@@H]2[C@@](O)(C[C@@H]([C@H]2[C@](C1)(O)CO)O)C)C(C)C
Compound: Salinamide A
SMILES: O=C1NCC(=O)OC[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](CC3=CC=CC=C3)N(C([C@@H](C4=CC=C(O[C@H]([C@]5(C=C1)OC5)C)C=C4)NC(=O)[C@@H](NC([C@@H]([C@@H](OC2=O)C)NC(=O)[C@H]([C@@H](O)C(C)C)C)=O)[C@@H](CC)C)=O)C)[C@@H](O)C
Compound: (6E)-2′-O-methylmyxalamide D
SMILES: O=C(N[C@H](COC)C)/C(=C/C=C/C=C/C=C/C(=C/[C@H]([C@@H](O)/C(=C/C)/C)C)/C)/C
Compound: Biselyngbyolide C
SMILES: O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](CCC[C@H](C1)O)OC)C
Compound: Usenamine D
SMILES: O=C1/C(/C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(\NCCCC(=O)OC)/C
Compound: Biselyngbyaside E
SMILES: O=C1O[C@@H](/C=C(\C/C=C/C)/C)CC=CC=CC[C@H](C)C=C([C@H](CCC[C@H](C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)OC)C
Compound: Oxytropiol E
SMILES: O=C1C(=C[C@@H]2[C@@H](C[C@@H]([C@H]2C(=C1)CO)O)C)C(C)C
Compound: Myrrhlalkyldiol
SMILES: OC(C(O)CCC(C1=CC=C(C)CC1)C)(C)C
Compound: Etamycin VII
SMILES: O=C1OC(C(NC(=O)C2=NC=CC=C2O)C(=O)NC(C(=O)N3C(C(=O)N(C)CC(N(C(C(NCC(N(C1C4=CC=CC=C4)C)=O)=O)C(C(C)C)C)C)=O)C[C@H](C3)O)C(CC)C)C
Compound: Usenamine E
SMILES: O=C1/C(/C(=O)[C@@]2(C=3C(O)=C(C)C(=C(C3OC2=C1)C(=O)C)O)C)=C(\NCCCC(=O)OCC)/C
Compound: Oxytropiol F
SMILES: O=C1C(=C[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@H]2[C@](C1)(O)CO)O)C)C(C)C
Compound: Biselyngbyaside F
SMILES: O=C1O[C@@H](/C=C(/C/C=C/C)\C)CC=CC=CC[C@H](C)C=C([C@H](CC=C[C@H](C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)OC)CO)OC)C
Compound: Aspergilazine A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC=C4)N(C3)C5=CC6=C(NC=C6C[C@@H]7NC(=O)[C@@H]8CCCN8C7=O)C=C5)CCC2
Compound: Microphycin AL828
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(NCC(N[C@H]1CC(C)C)=O)=O)CC3=CC=C(O)C=C3)=O)C(C)C)[C@@H](CC)C)CCC(=O)O)CCC2
Compound: Usenamine F
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C)C(=C(C3O[C@@]2(C1)OCC)C(=O)C)O)C)C(=NCCCC(=O)OCC)C
Compound: Hectoramide
SMILES: O=C(N([C@H](C(=O)N)C(C)C)C)[C@@H](N(C(=O)[C@@H](O)CC1=CC=C(OC)C=C1)C)C(C)C
Compound: Oxytropiol G
SMILES: O[C@@]1([C@H]2[C@H](C=C(CC1)C(C)C)[C@](O)(C)C[C@@H]2O)CO
Compound: (-)-(2R,3R,4aR)-altenuene-2-acetoxy ester
SMILES: O=C1O[C@]2(C(=C[C@@H](OC(=O)C)[C@@H](C2)O)C=3C1=C(O)C=C(OC)C3)C
Compound: Roseolactone A
SMILES: O=C1O[C@@H](C[C@H]([C@@H]2[C@@]3([C@@]([C@H]4[C@@]([C@@H](C=5C(C)=COC5C4)CCC(=O)O)(C)CC3)(C)CC2)C)C)C=C1C
Compound: Usone
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C)C(=C(C3O[C@@]2(C1)OCC)C(=O)C)O)C)C(=O)C
Compound: Hectochlorin B
SMILES: ClC(Cl)(CCCC1OC(=O)C=2N=C(C(O)C(OC(C=3N=C(C(OC(C1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Compound: Oxytropiol H
SMILES: O[C@@]1([C@H]2[C@H](C=C([C@@H](C1)O)C(C)C)[C@H](C)C[C@@H]2O)CO
Compound: Rubasperone B
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C(OC)C=C(OC)C=4C3=CC=5OC(C)=CC(C5C4O)=O)C6=CC(OC)=CC(=C6C2O)OC
Compound: Myxodiol A
SMILES: ClC1=C2C(=COC(=C2)C)C(O)C(C1=O)(O)C
Compound: Isousone
SMILES: O=C1C(=C(O)[C@@]2(C=3C(O)=C(C(=O)C)C(=C(C3O[C@@]2(C1)OCC)C)O)C)C(=O)C
Compound: Hectochlorin C
SMILES: ClC(CCCC1OC(=O)C=2N=C(C(OC(=O)C)C(OC(C=3N=C(C(OC(C1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Compound: Oxytropiol I
SMILES: O[C@@]1([C@H]2[C@H](C=C(CC1)C(O)(C)C)[C@H](C)CC2)CO
Compound: (2S, 3S, 4R)-2-[(2'R)-2'-hydroxytricosanoylamino]-1, 3, 4-octadecanetriol
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCC
Compound: Vibralactone R
SMILES: O=C/1OCC\C1=C/C=C/C=C(C)C
Compound: Desotamide B
SMILES: O=C1N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)CC(C)C)=O)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)N
Compound: Hectochlorin D
SMILES: ClC(Cl)(CCCC1OC(=O)C=2N=C(C(OC(=O)C)C(OC(C=3N=C(C(OC(C1(C)C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C
Compound: Oxytropiol J
SMILES: O[C@]1(C2C(C=C(CC1)C(C)C)[C@@](O)(C)CC2)CO
Compound: Altersolanol P
SMILES: O=C1C2=C(C(=O)C3=C1[C@H](O)[C@@](O)(C)CC3)C(O)=CC=C2
Compound: Barceloneic acid C
SMILES: O=C(O)C1=C2OC3=C(O)C=C(OC)C=C3CC2=C(C)C=C1O
Compound: Vibralactone S
SMILES: O=C1OCC(C)=CC=C1C[C@@H]2C(=O)OCC2
Compound: 7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane
SMILES: CN(C)C1CSSSSSC1
Compound: Jamaicamide D
SMILES: BrC#CCCCC(=C)CCC(/C=C/CCC(=O)NCC/C(/OC)=C\C(=O)N1C(=O)C=C[C@@H]1C)C
Compound: Terreustoxin E
SMILES: O=C1O[C@@H](C(=O)[C@@]2([C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)C([C@H]([C@]23C)O)=O)C)C)C(=O)OC)C
Compound: Omphadiol
SMILES: O[C@]1([C@@H]2[C@H]([C@]3(C(C3)[C@H](C(C2)(C)C)O)C)CC1)C
Compound: Jamaicamide E
SMILES: O=C1N(C(=O)/C=C(/OC)\CCNC(=O)CC/C=C/C(CCC(=C)CCCC#C)C)[C@@H](C)C=C1
Compound: Sterenin F
SMILES: O=C(OC1=C(C(O)=C(C(=O)OC)C(=C1)C)CC=C(C)C)C2=C(O)C=C(O)C=C2C
Compound: Methyl seco-fomannoxinate
SMILES: O=C(OC)C1=CC(=C(OC=C(C)C)C=C1)CO
Compound: Sungsanpin
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](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)O)CC(C)C)CC=3C4=C(C=CC=C4)NC3)CO)CC(C)C)CC5=CC=CC=C5)CO)CC(=O)NCC(N[C@H](C(NCC(N[C@H](C(N[C@H]1CCCCN)=O)CO)=O)=O)CC6=CC=CC=C6)=O)[C@H](CC)C)CCC2
Compound: Terreustoxin F
SMILES: O=C1O[C@H](C(=O)[C@@]2([C@]1(C(=C)C[C@H]3[C@]4([C@@H](C(C(=O)CC4)(C)C)C([C@H]([C@]23C)O)=O)C)C)C(=O)OC)C
Compound: Jamaicamide F
SMILES: IC#CCCC/C(=C\Cl)/CCC(/C=C/CCC(=O)NCC/C(/OC)=C\C(=O)N1C(=O)C=C[C@@H]1C)C
Compound: 1,20-diamino-4,8,12,17-tetra-azaeicosane
SMILES: N(CCCNCCCN)CCCNCCCCNCCCN
Compound: Purpurogenolide A
SMILES: O=C1OC(C2=CC[C@]3([C@H](C(=C2C1)C)C[C@]4(C(=O)[C@@]5(C([C@@]36C(=O)OC[C@]64O5)=O)C)C)C)(C)C
Compound: 5,6-dihydro-pinolidoxin
SMILES: O=C1OC(C(O)C(O)CCCCC1OC(=O)/C=C/C=C/C)CCC
Compound: Terreustoxin G
SMILES: O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3([C@@H](O)C(=O)[C@@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C
Compound: Pestalotiolide A
SMILES: O=C1OCC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)COC(=O)C)C(=C(OC)C2C)C
Compound: Purpurogenolide B
SMILES: O=C1OC(C2=CC[C@]3([C@H]([C@](C2=C1)(O)C)C[C@]4(C(=O)[C@@](C([C@]3(C(=O)OC)[C@@]54OC5)=O)(O)C)C)C)(C)C
Compound: 7-iso-cucurbic acid
SMILES: O=C(O)C[C@@H]1[C@H]([C@@H](O)CC1)C/C=C\CC
Compound: Altertenuol
SMILES: O=C1OC2=C(C=C(O)C(=C2)O)C=3C1=C(O)C=C(OC)C3
Compound: Terreustoxin H
SMILES: O=C1O[C@H](C(=O)[C@]2([C@H]1[C@]3(C(=O)[C@H](O)[C@@H]4C(C(=O)CC[C@]4([C@@H]3CC2=C)C)(C)C)C)C)C
Compound: Purpurogenolide C
SMILES: O=C1OC(C2=CC[C@]3(C(C(C2=C1)=C)C[C@]4(C(=O)O[C@@H]5[C@H]4[C@@]3(C(=O)[C@@H](O5)C)C(=O)OC)C)C)(C)C
Compound: 5'-O-acetyl uridine
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](COC(=O)C)[C@H]([C@H]2O)O