MonarchInit/C3PO huggingface dataset:
Compound: Xylogiblactone A
SMILES: Cl[C@@H]([C@@H](O)[C@H](O)[C@@H]1OC(=O)C(=C1)C)C
Compound: Lachnone A
SMILES: O=C1C(O)=C(OC2=C1C(O)=CC(=C2)C)C
Compound: Termisoflavone A
SMILES: O=C1C2=C(OC=C1C3=CC=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)OC)C)C=C3)C=C(O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)C=C2O
Compound: Accramycin A
SMILES: O=C1C2=C(O)C3=C(C4=C(O)C=C(OC)C=C4C)C=C(OC)C=C3C=C2C(C)(C)C=5C1=C(O)C=C(C)C5
Compound: Lactarorufin E
SMILES: O=C1OCC2=C1[C@H](O)[C@H]([C@H]3CC(C[C@H]3[C@@H]2O)(C)C)C
Compound: Hansfordiol E
SMILES: OC1=CC(O)=CC(=C1)CCCCCCC/C=C\CCCCCC[C@@H](O)C
Compound: (6S,13R)-6,13-dihydroxy-2E,4E,8E-tetradecatrienoic acid
SMILES: O=C(O)/C=C/C=C/[C@@H](O)C/C=C/CCC[C@H](O)C
Compound: Curvicollide A
SMILES: O=C1O[C@H](/C(=C/C=C/C(CO)CCCC)/C)[C@H]([C@@H]1/C=C(/C=C/C(O)C(C(=O)C)C)\C)C
Compound: Spiroleptosphol U
SMILES: O=C1O[C@H]2C=C[C@H]([C@@]1([C@H]2O)[C@H](C(=O)C)C)/C=C/C=C/C
Compound: Termisoflavone B
SMILES: O=C1C2=C(OC=C1C3=CC=C(O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)OC)C)C=C3)C=C(O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)OC)C)C=C2O
Compound: Deoxypreubetaomerin A
SMILES: O=C1C2=C(O)C=CC=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)[C@@H]6[C@H]1O6
Compound: Hansfordiol F
SMILES: O=C(CCCCCC/C=C\CCCCCCCC1=CC(O)=CC(=C1)O)C
Compound: Fumitremorgin B deriv. 1
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3C=C(C)C)C[C@H](O)C(=C)C)CCC2
Compound: 1-alaninechlamydocin
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)C)CCCCCC(=O)[C@H]4OC4)CCC2
Compound: Spiroleptosphol T1
SMILES: O=C1O[C@H]2C=C[C@H]([C@@]13[C@@H](O)[C@@](O)(C)O[C@H]32)/C=C/C=C/C
Compound: Termisoflavone C
SMILES: O=C1C(C2=CC=C(O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)OC)C)C=C2)=COC4=C1C=CC(=C4)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)OC)C
Compound: Discoipyrrole D
SMILES: O=C1OC2(N(C(C3=CC=C(O)C=C3)=C(C2=O)C4=CC=C(O)C=C4)C5=C1C=C([C@H](C=6C7=C(C=CC=C7)NC6)[C@H](O)CO)C=C5)CC(C)C
Compound: Hansfordiol G
SMILES: OC1=CC(O)=CC(=C1)CCCCCCC/C=C\CCCCC[C@@H](O)CC
Compound: Ampullosporin B
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC(C)C)CCC(=O)N)(C)C)CC(C)C)CCC(=O)N)(C)C)(C)C)C)CCC(=O)N)(C)C)CC(C)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CC=1C2=C(C=CC=C2)NC1)C)(C)C
Compound: Spiroleptosphol T2
SMILES: O=C1O[C@H]2C=C[C@H]([C@@]13[C@@H](O)[C@](O)(C)O[C@H]32)/C=C/C=C/C
Compound: Actinomycin Z2
SMILES: O=C1OC([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(OC5C)=O)C)C)=O)CC(C6C)=O)C(C)C)N)C)OC3=C(C)C=C2)C(=O)N[C@@H](C(=O)N7C(C)CC([C@H]7C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)O)C(C)C)C
Compound: Ostalactone A
SMILES: O=C1O[C@H]2CC(=C[C@@]12C/C=C(/CO)\C)CO
Compound: Illudin J2
SMILES: O=C1C2=C([C@](O)(C)C3([C@@H]1C)CC3)C[C@@](C2)(CO)C
Compound: Hansfordiol H
SMILES: ClC1=C(O)C=C(O)C=C1CCC(=O)O
Compound: Spiroleptosphol W
SMILES: O=C1O[C@H]2C=C[C@H]([C@@]13[C@@H](O)[C@](OC)(C)O[C@H]32)/C=C/C=C/C
Compound: Terrecoumarin A
SMILES: O=C1OC(=CC2=C1C=C(O)C(=C2CC=C(C)C)OC)C
Compound: Cochliomycin C
SMILES: ClC1=C2C(C(=O)O[C@H](CC=C[C@H]([C@H]([C@H](CC=C2)O)O)O)C)=C(O)C=C1OC
Compound: Preubetain B
SMILES: O[C@@H]1[C@@H](N(C)[C@@H](C1)CCCCCCC)CC2=CC=CC=C2
Compound: Ostalactone B
SMILES: O=C1O[C@H]2CC(=C[C@@]12CC=C(C)C)C(OC)OC
Compound: Hansfordiol I
SMILES: ClC1=C(O)C(Cl)=C(CCC(=O)O)C=C1O
Compound: Spiroleptosphol V
SMILES: O=C1OC(=C)C(=C1[C@H](/C=C/C=C/C)/C=C\[C@H](O)CO)O
Compound: Pyralomicin 1a
SMILES: ClC1=C(O)C2=C(OC=3N([C@@H]4C=C([C@@H](OC)[C@@H]([C@H]4O)O)CO)C(=CC3C2=O)Cl)C(=C1)C
Compound: [(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate
SMILES: O=C(O[C@@H]1C([C@H]2[C@@]3(OC4=C(C(O)=CC5=C4CN=C5N)C[C@@]3([C@@H](C)CC2)C)CC1)(C)C)C
Compound: Ostalactone C
SMILES: O=C1OC=CC(=C[C@@H]1C/C=C(/CO)\C)CO
Compound: 13-deoxyarmellide A
SMILES: O=C(OCC1=C[C@H]2[C@H]([C@@H](O)C(C2)(C)C)[C@@]3([C@@]1(O)[C@H](O)C3)C)C4=C(O)C=C(OC)C=C4C
Compound: Xanalteric acid II
SMILES: O=C1C=2C3=C(C4=C5C(O[C@](C4)(O)C(=O)O)=C(O)C=CC5=C3C=CC2O)C=C1
Compound: Spiroleptosphol Y
SMILES: O=C1O[C@@](O)(C)[C@@H]([C@]12[C@@H](C=C[C@@H]([C@@H]2OC(=O)C)O)/C=C/C=C/C)O
Compound: Hansfordiol J
SMILES: ClC1=C(O)C(Cl)=C(CCC(=O)OC)C=C1O
Compound: Vertihemipterin A
SMILES: ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](O[C@@H]2O[C@@H]([C@@H](OC)[C@@H]([C@H]2O)O)CO)C[C@@]3([C@H](C(=O)CC[C@H]3C)C)C)\C
Compound: Spoxazomicin D
SMILES: O=C(N)[C@H]1N=C(C2=C(O)C=CC=C2)OC1
Compound: Ent-cycloechinulin
SMILES: O=C1N[C@@H](C(=O)N2C1=CC=3C4=C(C=C(OC)C=C4)NC3C(C=C2)(C)C)C
Compound: Antrocinnamomin G
SMILES: O=C1NC(=O)C(=C1C2=CC=C(OC[C@H](O)C(=O)OC)C=C2)CC(C)C
Compound: Pyrrolomycin J
SMILES: ClC1=C(OC)C(C(=O)C=2NC(Cl)=C(C2Cl)Cl)=CC(=C1)Cl
Compound: Spiroleptosphol X
SMILES: O=C1O[C@]2(O[C@@H]3[C@]1([C@@H](C=C[C@@H]3OC(=O)C)/C=C/C=C/C)[C@H]2O)C
Compound: (1Z)-S,S'-dimethyldihydroholomycin
SMILES: S(C/1=C(NC(=O)C)C(=O)N\C1=C/SC)C
Compound: Oxachelin B
SMILES: O=C1N(O)CCC[C@H]1NC(=O)CCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=C2)CO)CO)CCCN(O)C=O
Compound: FR227673
SMILES: S(=O)(=O)(OC1=C(O)C=CC(=C1)C(O)C(O)C2NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCC(CC(CC)C)C)CC(C(NC(C4N(C(C(NC2=O)C(O)CC(=O)N)=O)CC(C)C4O)=O)O)O)C(O)C)CC(C3)O)O
Compound: delta-Indomycinone
SMILES: O=C1C2=C3OC(=CC(C3=C(C)C=C2C(=O)C=4C1=C(O)C=CC4)=O)C(O)(CCC(O)C)C
Compound: Brasilidine A
SMILES: N#C/C(=C\C=1C2=C(C=CC=C2)N(C1)C)/C=C/C(=C)C
Compound: Ent-homocyclopiamine B
SMILES: O=[N+]([O-])[C@@]12[C@@H](C(C)(C)[C@]3(C1)C(=O)N4C(CC(C=5C4=C3C=CC5OC)=O)(C)C)C[C@@H]6CCCCN6C2
Compound: Holomycin A
SMILES: S1C2=C(NC(=O)C)C(=O)NC2=CSC1
Compound: Oxachelin C
SMILES: O=C1N(O)CCC[C@H]1NC(=O)CCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](OCC(=O)C2=C(O)C=CC=C2)N)CO)CCCN(O)C=O
Compound: Shearinine A
SMILES: O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=C7C8=CC(OC(C8CC7=CC6C5C[C@@H]4CC3)(C)C)(C)C)C)(CC[C@@]29O[C@@H]1C(O9)(C)C)C
Compound: Phomapyrrolidone B
SMILES: O=C1[C@@H]2[C@]3(C(=C(C)[C@H]4[C@@H]2[C@H](OC5=CC=C(C[C@H]6[C@H]1C(=O)NC6=O)C=C5)[C@@H]7[C@H](C[C@H](C[C@@H]47)C)C)[C@H](C)C(=C3)C)C
Compound: Dermacozine G
SMILES: O=C1OC(=O)C(C2=CC=C(O)C=C2)=C3C1=C4N(C5=C(C(C(=O)N)=CC=C5)N=C4C=C3)C
Compound: (3S,6R)-3-[[4-[(2S)-2,3-dihydroxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
SMILES: S([C@@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(O)(C)C)C=C2)C
Compound: Cis-[2-(4-hydroxy-4-methylpentyl)cyclopropyl]-acetic acid
SMILES: O=C(O)C[C@@H]1[C@H](CCCC(O)(C)C)C1
Compound: 4-(Methylamino)benzamide
SMILES: O=C(N)C1=CC=C(NC)C=C1
Compound: Latumcidin
SMILES: O1C2/3C(=NCCC12)C=C\C3=C/C
Compound: Aspochalamin A
SMILES: O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC(C(C(C1)NC4=C(C(=O)N[C@@H](C(=O)N/C=C/C=5C6=C(C=CC=C6)NC5)C)C=CC=C4)O)O)C)C)CC(C)C
Compound: Thailandamide
SMILES: O=C(O)C(C(OC)/C(=C/C=C/C=C(/C=C/CC(O)CC(=O)/C=C/C=C(/C=C/C(NC(=O)C(C/C=C/CC(O)CC1=CC=C(O)C=C1)C)C)\C)\C)/C)C
Compound: Cis-[2-(4,5-dihydroxy-4-methylhexyl)cyclopropyl]-acetic acid
SMILES: O=C(O)C[C@@H]1[C@H](CCCC(O)(C(O)C)C)C1
Compound: (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: O=C(O)[C@H]1O[C@H](O[C@H]2[C@H](OC[C@@H]([C@@H]2OC(=O)C)OC(=O)C)O[C@H]3[C@H](OC)[C@@H](O)[C@@H](O[C@@H]4[C@H](NC[C@@H]4O)[C@H](O)C)O[C@@H]3CO)[C@H](O)[C@H]([C@@H]1O)O
Compound: Pacidamycin 5T
SMILES: O=C1N(C=CC(N1)=O)C2O/C(=C\NC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)CC3=CC(O)=CC=C3)C)C(N(C(=O)C(N)CC4=CC(O)=CC=C4)C)C)/CC2O
Compound: Acremine A
SMILES: O=C1C=C(/C=C/C(O)(C)C)[C@@H](O)C[C@]1(O)C
Compound: (3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
SMILES: S([C@@]1(N(C(=O)[C@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(OC)(C)C)C=C2)C
Compound: Pyrrole-2-carboxamide
SMILES: O=C(N)C=1NC=CC1
Compound: Angupyrone A
SMILES: O=C1OC(=CC=C1C)/C=C/CCCO
Compound: Penicisochroman G
SMILES: O=C1C2=C(C3=C(C=C(C)OC3)C=C2)O[C@H]1C(C)C
Compound: 4-amino-7-(5'-deoxyribos-1'~-yl)-5-iodopyrrolo[2,3-d]pyrimidi
SMILES: IC=1C2=C(N=CN=C2N(C1)C3OC(C)C(C3O)O)N
Compound: Simplicilliumtide D
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=C(O)C=C1)CC(C)C
Compound: (3S,6R)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
SMILES: S([C@@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC[C@H](O)C(OC)(C)C)C=C2)C
Compound: Nigriterpene A
SMILES: O=C1O[C@@H]2C=C3CCC[C@@H]([C@]3([C@H](C2=C1C)O)C)C
Compound: Angupyrone B
SMILES: O=C1OC(=CC=C1C)/C=C/C[C@@H](O)C
Compound: Brabetaicasterol
SMILES: O[C@@H]1CC2=CCC3[C@H]4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: 3-((1-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxoindolin-3-yl)methyl)-1-methyl-3,4-dihydrobenzo[e][1,4]diazepine-2,5-dione
SMILES: O=C1NC(C(=O)N(C2=C1C=CC=C2)C)CC3(C(=O)N(O)C4=C3C=CC=C4)C(C=C)(C)C
Compound: Hofmannolin
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)C(CC)C)CCC(=O)O)C(=O)N[C@H](C(=O)NC2CC[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=C(OC)C=C4)C2=O)O)CC5=CC=CC=C5)C
Compound: Angupyrone C
SMILES: O=C1OC(=CC=C1C)CCC[C@@H](O)C
Compound: Lanosta-7,9(11)-diene-12beta,21alpha-epoxy-2alpha,3beta,24beta,25-tetraol
SMILES: O1[C@@H]2C=C3C(=CC[C@@H]4[C@@]3(C[C@@H](O)[C@@H](C4(C)C)O)C)[C@]5([C@]2([C@H](CC5)[C@H](C1)CC[C@@H](O)C(O)(C)C)C)C
Compound: Nigriterpene B
SMILES: O=C1O[C@@H]2C=C3C=CC[C@@H]([C@]3([C@H](C2=C1C)O)C)C
Compound: (1S,2S,3R)-4-hydroxymethylcyclopent-4-ene-1,2,3-triol
SMILES: O[C@@H]1C(=C[C@@H]([C@@H]1O)O)CO
Compound: Napyradiomycin B
SMILES: O=C1C2=C(O)C3=C(O)C=C2C(=O)[C@]4(C1=C[C@H](O)C(C)(C)O4)CC=C(CC=C(C3)CO)C
Compound: Szentiamide
SMILES: O=C1O[C@@H](C(NC(=O)[C@H](NC=O)CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CC=2C3=C(C=CC=C3)NC2)=O)CC4=CC=C(O)C=C4)=O)C(C)C)CC5=CC=CC=C5)C
Compound: Angupyrone D
SMILES: O=C1OC(=CC=C1C)/C=C/[C@@H](O)CC
Compound: Nigriterpene C
SMILES: O1[C@@H]2C=C3[C@]([C@H](CCC3)C)(C)C[C@@]2(O)C(C1)=C
Compound: Xylariacyclone A
SMILES: O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC2=C(O)C(=C(O)C(=C2)OC)C)(O)C
Compound: 8-hydroxy-13-oxo-9E,11E-octa-decadienoic acid
SMILES: O=C(O)CCCCCC[C@@H](O)/C=C/C=C/C(=O)CCCCC
Compound: Doramectin congener 4
SMILES: O=C1O[C@@H]2C[C@@]3(OC(C4CCCCC4)[C@@H](C)[C@H](C3)O)O[C@@H](C2)CC=C(C(=O)CC=CC=C([C@]5([C@H]1C=C([C@@H](OC)C5)C)O)C)C
Compound: 1(10)E,5E-germacradiene-3,11-diol
SMILES: OC([C@H]1C=C[C@H]([C@H](O)CC=C(CC1)C)C)(C)C
Compound: Angupyrone E
SMILES: O=C1OC(=CC=C1C)CC[C@@H](O)CC
Compound: 1'-deoxyfungichromin
SMILES: O=C1OC(C(O)C=CC=CC=CC=CC=C(C(O)C(C(CC(CC(CC(CC(CC(C1CCCCCC)O)O)O)O)O)O)O)C)C
Compound: Nigriterpene D
SMILES: O=C1C(C(=C)CO)=C[C@@]2([C@H](CCCC2=C1)C)C
Compound: 1,3,6,7-8-Pentahydroxy-2-methoxyethylant
SMILES: O=C1C2=C(O)C(O)=C(O)C=C2C(=O)C=3C1=C(O)C(=C(O)C3)[C@H](OC)C
Compound: 3,6,7-Tri-epi-invictolide
SMILES: O=C1O[C@@H]([C@H](C)C[C@@H]1C)[C@H](CCC)C
Compound: Atpenin A4
SMILES: Cl[C@H]([C@H](C[C@@H](C(=O)C=1C(=O)NC(OC)=C(C1O)OC)C)C)C
Compound: 3-ethyl-4-hydroxy-6-methylpyrone
SMILES: O=C1OC(=CC(=C1CC)O)C
Compound: Nigriterpene E
SMILES: O=CC(=C)[C@H]1[C@H](O)C=C2CCC[C@@H]([C@]2(C1)C)C
Compound: Marinopyrrole D
SMILES: ClC1=CC(=C(O)C=C1)C(=O)C=2N(C(Cl)=C(C2)Cl)C=3C(Cl)=C(Cl)NC3C(=O)C4=C(O)C=CC=C4
Compound: 3-acetyl-4-hydroxycinnoline
SMILES: O=C1C(=NNC2=C1C=CC=C2)C(=O)C
Compound: Chamigrene epoxide
SMILES: Br[C@@H]1[C@@](Cl)(CC[C@@]2(C1)C([C@@H](Br)C[C@@H]3[C@]2(O3)C)(C)C)C
Compound: Sulfadixiamycin B
SMILES: S(=O)(=O)(C1=CC2=C(NC3=C2C=C4[C@@]5([C@H]([C@](C(=O)O)([C@@H](O)CC5)C)CCC4=C3)C)C=C1)C6=CC7=C(NC8=C7C=C9[C@@]%10([C@H]([C@](C(=O)O)([C@@H](O)CC%10)C)CCC9=C8)C)C=C6
Compound: Chaetochromone A
SMILES: O=C1C2=C(OC3=C1[C@H](O[C@@H](C3)C)O)C(O)=C(OC)C=C2C(=O)OC
Compound: Nigriterpene F
SMILES: O=C1C=C2[C@]([C@H](CCC2)C)(C)C[C@H]1C(C=O)=C
Compound: Pyrenochaetic acid D
SMILES: O=C(O)C1=CC(OC)=C(C(=O)[C@H](O)CC)C(=C1)C
Compound: Clavipol A
SMILES: O1C2=CC(=C(O)C=C2)CC=C(C)C[C@@H](C=C(C1)C)O
Compound: Chloropestolide 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@]2(C=C=C5[C@@H](O)[C@]6(O[C@H]6[C@H](C5)O)CC=C(C)C)C
Compound: Cephalosporolide E
SMILES: O=C1O[C@H]2C[C@]3(O[C@H](C)CC3)O[C@H]2C1
Compound: Chaetochromone C
SMILES: O=C1C2=C(OC3=C1[C@H](O[C@@H](C3)C)OC)C(O)=C(O)C=C2C(=O)OC
Compound: Spiroapplanatumine J
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)O)CCC[C@@H](C3)C(=O)OC
Compound: Clavipol B
SMILES: O1C2=CC(=C(OC)C=C2)CC=C(C)C[C@@H](C=C(C1)C)O
Compound: Lumiquinone A
SMILES: O=C1C(=O)C(=C(O)C(=C1/C=C/C2=CC=CC=C2)N)C(C)C
Compound: Serratamolide D
SMILES: O=C1OC(CC(=O)N[C@H](C(=O)OC(CC(N[C@H]1CO)=O)CCCCCCC)CO)CCCCCCCC
Compound: Fomitoside G
SMILES: O=C(O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)O)[C@@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@H](OC(=O)C)CC5)(C)C)CC4)C)CC3)(C)CC2)C)CCC(=C)C(C)C
Compound: Leptolyngbyolide A
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@]2(OC2)[C@@H](OC)C[C@@H]3CC=C[C@@H](C[C@H](CC=C(C=C1)C)O[C@H]4OC[C@@H](O)[C@@H]([C@H]4O)O)O3)C)[C@H]([C@@H](O)[C@H](CC[C@@H]5O[C@H](C[C@H](C5)OC)C)C)C
Compound: Spiroapplanatumine K
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)OC)CC[C@H]3C(=C)CO
Compound: Clavilactone G
SMILES: O=C1O[C@@H]2C3=C(O)C=CC(=C3CC(=CC[C@@H]([C@]14O[C@@H]42)O)C)O
Compound: Bisordariol A
SMILES: OC1=C(C(=C(CC2=C(O)C=CC=C2/C=C/[C@@H](O)[C@@H](O)C)C=C1)/C=C/[C@@H](O)[C@@H](O)C)CO
Compound: Spiroapplanatumine L
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CC[C@H]3C(=C)CO
Compound: 15G256beta-2
SMILES: O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O[C@@H](CC(=O)O)C)C)C)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)C)C
Compound: Terrephenol A
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(OC)=C(O)C(=C2)CC=C(C)C)C(=C1O)C3=CC=C(O)C=C3
Compound: Leptolyngbyolide B
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O[C@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)O2)CO)C)[C@H]([C@@H](O)[C@H](CC[C@@H]4O[C@H](C[C@H](C4)OC)C)C)C
Compound: Clavilactone H
SMILES: O=C1O[C@@H]2C3=C(OC)C=CC(=C3CC(=CCCC1=C2)C)O
Compound: Spirotryprostatin C
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2
Compound: Spiroapplanatumine M
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@@H](C(=O)O)CC[C@H]3C(=C)CO
Compound: Fluvirucin B2
SMILES: O=C1NCCCC(C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)N)C)CCC(CCCC1CC)CC)CC
Compound: Macrolactin E
SMILES: O=C1O[C@@H](CCCC=CC=CC(=O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O)C
Compound: Leptolyngbyolide C
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)C)C)[C@H]([C@@H](O)[C@H](CC[C@@H]3O[C@H](C[C@H](C3)OC)C)C)C
Compound: Clavilactone I
SMILES: O=C1O[C@@H]2C3=C(OC)C=CC(=C3CC(=CCC[C@]14O[C@@H]42)C)O
Compound: Radianspene H
SMILES: O=C1O[C@@H]2[C@@H]3[C@@]([C@@H](C(C)C)[C@H]([C@H]3O)OC(=O)C)(CC[C@]4(C2=C1[C@@H](O)CC4)C)C
Compound: Leptolyngbyolide D
SMILES: O=C1O[C@@H]([C@H]([C@H](OC)C[C@H](OC)[C@@H]([C@@H](OC)C[C@@H]2CC=C[C@@H](C[C@H](CC=C(C=C1)C)O)O2)CO)C)[C@H]([C@@H](O)[C@H](CC[C@@H]3O[C@H](C[C@H](C3)OC)C)C)C
Compound: Nambinone A
SMILES: O=C1C=C2[C@]([C@H](CC[C@H]2O)C)(C)[C@@H]3[C@H]1[C@@]3(CO)C
Compound: (3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydecanoic acid
SMILES: O=C(O[C@@H](CC(=O)O)C[C@H](O)CCCCC)C[C@H](O)C[C@H](O)CCCCC
Compound: Spiroapplanatumine N
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CC[C@H]3C(C=O)=C
Compound: 1,3,8-Trihydroxy-6-methoxyanthraquinone
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C=3C1=C(O)C=C(O)C3
Compound: Aszonalenin
SMILES: O=C1N2C3NC=4C=CC=CC4C3(C(C=C)(C)C)CC2C(=O)NC5=C1C=CC=C5
Compound: Cephalimysin E
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@]13O[C@]4(C(=O)C=C[C@@H]4CC)[C@@H](C3=O)C)O
Compound: (3R,5R)-3-(((3R,5R)-5-(((3R,5R)-3,5-dihydroxydecan oyl)oxy)-3-hydroxydecanoyl)oxy)-5-hydroxydecanoic acid
SMILES: O=C(O[C@@H](CC(=O)O)C[C@H](O)CCCCC)C[C@H](O)C[C@H](OC(=O)C[C@H](O)C[C@H](O)CCCCC)CCCCC
Compound: Spiroapplanatumine O
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)OC)CC[C@H]3C(C=O)=C
Compound: Deca-4,6,8-triynol
SMILES: OCCCC#CC#CC#CC
Compound: Enniatin-B3
SMILES: O=C1OC(C(=O)NC(C(=O)OC(C(=O)NC(C(OC(C(N(C1C(C)C)C)=O)C(C)C)=O)C(C)C)C(C)C)C(C)C)C(C)C
Compound: Spiroapplanatumine P
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@@H](C(=O)OC)CC[C@@H]3[C@@H](CO)C
Compound: Cephalimysin F
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13O[C@]4(C(=O)C=C[C@@H]4CC)[C@@H](C3=O)C)O
Compound: Aeruginosin 98-A
SMILES: ClC1=C(O)C=CC(=C1)CC(O)C(=O)N[C@@H](C(=O)N2C3C(CCC(C3)OS(=O)(=O)O)CC2C(=O)NCCCCN=C(N)N)[C@@H](CC)C
Compound: Epicoccin F
SMILES: S1S[C@@H]2[C@@H](O)[C@@H]3N4[C@@]1(C(=O)N5[C@H]6[C@H](O)[C@H]7S[C@]5(C4=O)C[C@@H]6[C@@H](O)C7)C[C@@H]3C(C2)=O
Compound: Bananamide F
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CO)=O)CC(C)C)C
Compound: (Z)-lowdenic acid
SMILES: O=C/1O[C@@H](CC(=O)O)C(\C1=C/2\O[C@@](CCC[C@H](CCCCCCCCCC)C)(C)C=C2)=O
Compound: Spiroapplanatumine A
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)O)CCC=C(C3)C(=O)O
Compound: Diospentenol B
SMILES: O=C1C(O)=C2C=CCO[C@H]2[C@H]1CC=C
Compound: Cephalimysin G
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13O[C@]4(C(=O)C=C[C@@H]4CC)[C@@H](C3=O)C)O
Compound: Bananamide D
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)/C=C\CCCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CO)=O)CC(C)C)C
Compound: 3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one
SMILES: O=C1OC(=C)[C@@](O)(C)C=2C1=C(OC)C=C(OC)C2
Compound: GE20372 A
SMILES: O=C(NC(C(=O)O)CC1=CC=C(O)C=C1)NC(C(=O)NC(C(=O)N[C@H](C=O)CC2=CC=CC=C2)C(C)C)CCCN=C(N)N
Compound: Spiroapplanatumine Q
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@@H](O)CC[C@H]3C(=O)OC
Compound: (-)-(7R,10R)-iso-10-hydroxysydowic acid
SMILES: O=C(O)C1=CC(O)=C([C@@]2(O[C@@H](C(O)(C)C)CC2)C)C=C1
Compound: Bananamide G
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)/C=C\CCCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1C(C)C)=O)CC(C)C)=O)CO)=O)CC(C)C)C
Compound: Cephalimysin H
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13O[C@]4(C(=O)C=C[C@@H]4CC)[C@@H](C3=O)C)O
Compound: Disulochrin
SMILES: O=C(OC)C1=C(C(OC)=CC(=C1)O)C(=O)C2=C(O)C(=C(C)C=C2O)CC3=C(O)C(=C(O)C=C3C)C(=O)C4=C(OC)C=C(O)C=C4C(=O)OC
Compound: 3,5-dihydroxy-2-(2-(2-hydroxy-6-methylphenyl)-2-oxoethyl)-4-methylbenzaldehyde
SMILES: O=C(C1=C(O)C=CC=C1C)CC2=C(O)C(=C(O)C=C2C=O)C
Compound: Spiroapplanatumine B
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CCC=C(C3)C(=O)O
Compound: Bananamide E
SMILES: O=C1OC(C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(C)C)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(NC(C(NC(C(NC1C(CC)C)=O)CC(C)C)=O)CO)=O)CC(C)C)C
Compound: Cephalimysin I
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@@]13O[C@@]4(C(=O)C=C[C@H]4CC)[C@H](C3=O)C)O
Compound: Deuteromycol B
SMILES: O=C(OCC=1OC=2C(O)=C(O)C=CC2C1)C
Compound: Acremine M
SMILES: O=C1C=C2[C@](OC(C)(C)[C@H]([C@@H]2O)O)(O)[C@@H]3[C@]1(O3)C
Compound: Dendryol  F
SMILES: O=C1C2=C(C(O)=CC(=C2)C)[C@@H](O)[C@H]3[C@H]1CC[C@H]([C@@H]3O)O
Compound: Spiroapplanatumine C
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)OC)CCC=C(C3)C(=O)O
Compound: Methyl ganoderate G1
SMILES: O=C1C2=C([C@@]3([C@@H](O)C[C@@H]([C@]3([C@@H]1O)C)[C@@H](CC(=O)CC(C(=O)OC)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Cephalimysin J
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13O[C@@]4(C(=O)C=C[C@H]4CC)[C@H](C3=O)C)O
Compound: (-)-(1R,6S,7S,10R)-1-hydroxycadinan-3-en-5-one
SMILES: O=C1C(=CC[C@@]2([C@@H]1[C@H](C(C)C)CC[C@H]2C)O)C
Compound: Marinopyrone D
SMILES: O=C1OC(=C(C)C(=C1C)OC)/C=C/[C@H](CC)C
Compound: Irlactin C
SMILES: O1[C@H](O)[C@@H]2C[C@H](O)[C@]3(C(=C2C1)CC(C)(C)C[C@@H]3O)C
Compound: Spiroapplanatumine D
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)OC)CCC=C(C3)C(=O)O
Compound: Cephalimysin K
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13O[C@@]4(C(=O)C=C[C@H]4CC)[C@H](C3=O)C)O
Compound: Spathullin A
SMILES: O=C(O)C=1N2C(CC=3C=CC(=C(C3C2)O)O)=CC1
Compound: Erinacerin K
SMILES: O=C1N([C@H](C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C(=C3O)C/C=C(/CCC(=O)OC)\C
Compound: Leiwansterol B
SMILES: O=C1C2=C3[C@@]([C@@H]([C@@H](/C=C/[C@H](C(C)C)CC)C)C[C@@H]3O)(CC[C@]2(O)[C@]4(CC[C@@H](C[C@@H]4C1)O)C)C
Compound: Cicadapeptin I
SMILES: O=C(N[C@H](C(=O)N[C@H](CN)CC(C)C)CC(C)C)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@H]2N(C(=O)CCCCCCCCC)C[C@@H](C2)O)C[C@@H](C1)O)C(C)C)(C)C)CCC(=O)N)(C)C
Compound: Spiroapplanatumine E
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)O)CCC=C(C3)C(=O)OC
Compound: Spathullin B
SMILES: OC1=C(O)C=CC2=C1CN3C=CC=C3C2
Compound: Cephalimysin L
SMILES: O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@]13O[C@@]4(C(=O)C=C[C@H]4CC)[C@H](C3=O)C)O
Compound: Oblongolide Z
SMILES: O=C([C@@]1(OC[C@H]2[C@@]1([C@H]3[C@H](C=C2)C[C@H](C)CC3)C)OCCC4=CC=CC=C4)C
Compound: Precolibactin B
SMILES: S1C(=NC(=C1)C(=O)O)CN2C(=O)C=C3C4(CC4)NC(C3=C2CC[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCC)CC(=O)N)C)=O
Compound: APHE-2
SMILES: O=C1N2NC=C(C2=CC3=C1C=CC=C3)CCC
Compound: Spathullin C
SMILES: O=C1C(=O)C=CC=2C1=CN3C(C(=O)O)=CC=C3C2
Compound: Spiroapplanatumine F
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CCC=C(C3)C(=O)OC
Compound: Austinone
SMILES: O=C1O[C@@]2(C(=O)[C@]34[C@]1(O[C@]5(C(=C)[C@@](C(O)(C)C)(CCC(=O)OC)C[C@@H]([C@@]35C)OC(=O)/C(=C\C)/C)[C@H]2OC(=O)C)[C@@H](OC4=O)C)C
Compound: SF2738E
SMILES: S(C1=C(OC)C=C(C2=NC=CC=C2)N=C1CNC(=O)C)C
Compound: Aeruginosin DA642A
SMILES: ClC1=C(O)C=CC(=C1)C[C@H](O)C(=O)N[C@H](C(=O)N2[C@@H]3[C@@H](CC[C@H](C3)O)C[C@H]2C(=O)NCCCCN=C(N)N)CC4=CC=CC=C4
Compound: 5alpha-campestane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@@H](C)C(C)C
Compound: Bombardolide D
SMILES: O=C1O[C@@H](CCC)C=C1/C=C/CO
Compound: 2-(4-hydroxybenzyl)-4-(3-acetyl)quinazolinone
SMILES: O=C1N(C(=NC2=C1C=CC=C2)CC3=CC=C(O)C=C3)C(=O)C
Compound: Penicillisocoumarin A
SMILES: O=C1O[C@H](CC=2C1=C(O)C=CC2O)CCCC(=O)C
Compound: Spiroapplanatumine G
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)O)CCC=C(C3)C=O
Compound: Pyramidamycin C
SMILES: O=C(N)C1=C(O)C(N)=C(OC)C=C1
Compound: Pseudacyclin A
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC[C@@H](C(N[C@@H]1CC3=CC=CC=C3)=O)NC(=O)[C@@H](NC(=O)C)[C@H](CC)C)[C@H](CC)C)[C@H](CC)C)CCC2
Compound: Methyl (R,E)-6-(2,3-dihydroxy-4-methylpenyl)-2-methylhept-5-enoate
SMILES: O=C(OC)[C@@H](CC/C=C(/C1=C(O)C(O)=C(C)C=C1)\C)C
Compound: Penicillisocoumarin B
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=CC2O)CCC[C@@H](O)C
Compound: Ribisin A
SMILES: O=C1C=2C3=C(C=CC=C3)OC2[C@H](O)[C@H]([C@@H]1OC)O
Compound: Epothilone B 3-alpha-D-arabinofuranoside
SMILES: S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](OC3OC(CO)C(C3O)O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@@]4([C@H](C2)O4)C)C)C)(C)C)\C)C
Compound: Spiroapplanatumine H
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@]13[C@H](C(=O)O)CCC=C(C3)C=O
Compound: CJ-13,357
SMILES: O=C1OC(CC(O)[C@H]2O[C@H]2C(C=CC=3C1=C(O)C=CC3)O)C/C=C/NC(=O)/C=C/C=NOC
Compound: Sch 382582
SMILES: S(CCC(=O)C(NC(=O)[C@@H]1N(NCCC1)C(=O)[C@H](CC(=O)O)CCC(C)C)C(C)C)C
Compound: Sydowether
SMILES: O=C(OC)C1=C[C@H]2OC3(CCCCC3)O[C@H]2[C@@H](C1)O[C@H](C(=O)OC)C
Compound: Penicillisocoumarin D
SMILES: O=C1O[C@@H]2[C@@H]([C@@](O)(CCC2)C)C=3C1=C(O)C=CC3
Compound: Ferrocin C/D
SMILES: [Fe+3].O=C1N[C@H](C(=O)NC(CN[C@H](C(=O)NCC(=O)NC(C(=O)NCC(OC[C@@H](C(NC(C(NCC(N[C@@H]1C(C)C)=O)=O)CCCN([O-])C(=O)CC)=O)NC(=O)C/C=C\CCCCCC)=O)CCCN([O-])C(=O)CC)C)CCCN([O-])C(=O)CC)CO
Compound: Ganoleuconin M
SMILES: O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC[C@H](O)[C@](O)(COC(=O)/C(=C\CC5=C(O)C=CC(=C5)O)/CC/C=C(/CCC=C(C)C)\C)C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C
Compound: Spiroapplanatumine I
SMILES: O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)OC)CCC=C(C3)C=O
Compound: Questiomycin C
SMILES: [S@@](=O)(C1=C(N)C(=O)C=C2C1=NC3=C(C=CC=C3)O2)C
Compound: Pax10
SMILES: O=C1N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(NCCCC[C@H]1NC(=O)[C@@H](NC(=O)CNC(=O)C[C@H](O)CCCCCCCCCCCCC)CCCN=C(N)N)=O)CCCCN)CCCCN)CCCCN)CCCCN
Compound: 5alpha-cholane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC
Compound: Engyodontiumin A
SMILES: ClC1=C(OC)C(OC)=CC(=C1CCC)C(=O)O
Compound: Gymnopeptide B
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(N([C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(N(CC(N([C@H]1C(C)C)C)=O)C)=O)C(C)C)=O)C(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)=O)C(C)C)C)=O)C(C)C)C(C)C)C)C(O)C)C(C)C)C)C)C(C)C)C)C)C)C(C)C)C)C
Compound: Hirsutanol B
SMILES: O=C1C(=C)[C@]2([C@]3(O)C([C@@H](O)C(C3)(C)C)=CC2=C1)C
Compound: Penicisulfuranol A
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@]34SS[C@@H]5C=6C=CC(=C(C6O[C@@]5(C(N3O2)=O)N(C4=O)C)OC)OC
Compound: Questiomycin D
SMILES: S(C1=C(N)C(=O)C=C2C1=NC3=C(C=CC=C3)O2)C
Compound: Thelephantin I
SMILES: O=C1C(OC(=O)C2=CC=CC=C2)=C(C(=O)C(=C1C3=CC=C(O)C=C3)OC)C4=CC=C(O)C=C4
Compound: (2E,4E,6S)-6-hydroxydeca-2,4-dienoic acid
SMILES: O=C(O)/C=C/C=C/[C@@H](O)CCCC
Compound: Penicisulfuranol B
SMILES: S1S[C@@H]2C3=C(C(OC)=C(OC)C=C3)O[C@]24C(N5[C@]1(C(=O)N4C)C[C@]6(O)[C@H](O)C=C[C@H]([C@@H]6O5)O)=O
Compound: Penicacid C
SMILES: O=C1OCC=2C1=C(O)C(=C(OC)C2C)CC(O)C(O)(C(O)CC(=O)O)C
Compound: Questiomycin E
SMILES: BrC1=C(N)C(=O)C=C2C1=NC3=C(C=CC=C3)O2
Compound: MR-387-B
SMILES: O=C(O)[C@H]1N(C(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)CC3=CC=CC=C3)C(C)C)CCC2)CCC1
Compound: Cohaerin F
SMILES: O=C1C=C2C(=COC(=C2)C=3C(=O)CC(O)CC3C)[C@H]([C@]1(O)C)CC(=O)C(CCCCCC)C
Compound: 7-(gamma,gamma)-dimethylallyloxymacrosporin
SMILES: O=C1C2=C(O)C=C(OC)C=C2C(=O)C3=C1C=C(OCC=C(C)C)C(=C3)C
Compound: Usabamycin A
SMILES: O=C1N2[C@H](CNC3=C1C=CC=C3OC)C\C(\C2)=C/CC
Compound: Penicisulfuranol C
SMILES: S1S[C@]23N(O[C@H]4[C@H](O)C=C[C@H]([C@]4(C2)O)O)C(=O)[C@@]5([C@H](S1)C6=C(C(OC)=C(OC)C=C6)O5)N(C3=O)C
Compound: Atroviridetide
SMILES: O=C1N(C(C(=O)NC1C(CC)C)CCCNC(=O)CCC(=O)OC(C(O)C)C)C
Compound: Alternatiol
SMILES: O=C1O[C@@]2(C(=CC([C@]2(O)C(=O)OC)=O)C=3C1=C(O)C=C(OC)C3)C
Compound: Rhytidchromone A
SMILES: O=C1C2=C(OC(=C1)C)C(=C(OC)C=C2O)[C@H]3OC(=O)[C@@H](C3)OC
Compound: Thomimarine E
SMILES: O=C1C=C([C@H]2C[C@H](C(CO)C)CC[C@@]2(C1)C)C
Compound: Armillariol A
SMILES: OC(C(O)C/C=C(\C1CC=C(C)CC1)/C)(C)C
Compound: Penicisulfuranol D
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)C[C@@]3(SC)C(=O)N(C)[C@]4(C(N3O2)=O)OC=5C(OC)=C(OC)C=CC5[C@H]4SC
Compound: Xylaral
SMILES: O=C1O[C@H](O)C=2C1=C(O)C(=C(O)C2C=O)CCC(=O)/C=C/CCCCCCCCC
Compound: Chlamyphilone
SMILES: O=C1C=2C(C(=C(C)OC2)C)=CC([C@@]1(O)C)=O
Compound: Fimsbactin C
SMILES: O=C(O[C@@H]([C@H](NC(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)O[C@@H]1C)C(=O)NCCCCN(O)C(=O)C)C)C3=C(O)C(O)=CC=C3
Compound: 19-O-stearoylsarcodonin A
SMILES: O=C(OC[C@H](C1=C2C3=CC=C(C=O)C[C@@H]([C@@]3(CC[C@@]2(C)CC1)C)O)C)CCCCCCCCCCCCCCCCC
Compound: 4,10,11-trihydroxyguaiane
SMILES: O[C@@]1([C@@H]2[C@@H]([C@](O)(C)CC2)C[C@@H](CC1)C(O)(C)C)C
Compound: Penifulvin C
SMILES: O=C1O[C@H]2OC(=O)[C@H]3[C@]24[C@@H](CC3)[C@](C[C@@]4(C1)C)(CO)C
Compound: Penicisulfuranol E
SMILES: S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)[C@]4(OC=5C(OC)=C(OC)C=CC5[C@H]4SC)N(C2=O)C)C
Compound: Vinosane
SMILES: O=C(O)C1=CCO[C@@]12[C@H]3[C@H]([C@H](C)CC2)CC[C@@H]3C
Compound: AS-I toxin
SMILES: O=C(O)C(NC(=O)CNC(=O)C(NC(=O)C(N)CO)C(C)C)CCC(=O)O
Compound: Nocarazepine A
SMILES: O=C1N2[C@H](C(=O)N[C@@H]1C)C[C@@](C(=O)NCCCC(=O)C)(C)CC2
Compound: Bhimamycin D
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C=3C1=C(N(C4=C(C(=O)O)C=CC=C4)C3C(=O)C)C
Compound: Rulepidadione C
SMILES: O=C1[C@@H]2[C@]([C@H](C)CC1)([C@@H]3[C@@](CO)(C)[C@@H]3C(C2)=O)C
Compound: Coryoctalactone E
SMILES: O=C1C2=C(O)C=C(O)C=C2CC(=O)OC(=C1)/C=C/C[C@@H](O)C
Compound: Penicisulfuranol F
SMILES: S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)[C@]4(OC=5C(OC)=CC=CC5[C@H]4SC)N(C2=O)C)C
Compound: Micropeptin 88-D
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCC(NC(=O)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2)C(=O)O)C(=O)N[C@H](C(=O)NC3CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)C(C)C)C3=O)O)C[C@H]5C=C[C@H](O)CC5)C
Compound: 3,5-dibromo-4-methoxybenzaldehyde
SMILES: BrC1=C(OC)C(Br)=CC(=C1)C=O
Compound: (-)-bybetaochlamic acid imide
SMILES: O=C1OC(=O)C2=C1[C@@H](CC=3C(=O)NC(C3C[C@@H](C2)CC)=O)CCC
Compound: (24E)-3,4-seco-cucurbita-4,24-diene-26,29-dioic acid-3-methyl ester
SMILES: O=C(O)C(=C1[C@H]([C@]2(C([C@]3([C@]([C@@H](C(CC/C=C(/C(=O)O)\C)C)CC3)(C)CC2)C)CC1)C)CCC(=O)OC)C
Compound: Montagnuphilone A
SMILES: O=C1C2=C(C=C(/C=C/C(=O)O)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: (-)-daeschol A
SMILES: O=C1C2=C(O)C=CC=C2[C@@]34C=5C=6C(C(O)=CC5)=C(O)C=CC6[C@]74[C@@H]([C@H]1C3=O)CC(=O)C8=C7C=CC=C8O
Compound: Poricoic acid GM
SMILES: O=C(O)C([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)OC)C)CC2)(C)C[C@H]1O)C)CCC=C(C)C
Compound: BE-14106
SMILES: O=C1NC(CC=CC=C(C=CC=CC(C(C=C(C=CC=C1)C)O)O)C)C/C=C/CCC
Compound: Methyl (3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)benzoyl)glycinate
SMILES: O=C(NCC(=O)OC)C1=CC(O)=C([C@@](O)(CCCC(C)C)C)C=C1
Compound: (24E)-3,4-seco-cucurbita-4,24-diene-26-oic acid-3-ethyl ester
SMILES: O=C(O)/C(=C/CCC([C@@H]1[C@@]2([C@@](C3[C@@]([C@@H](C(=C(C)C)CC3)CCC(=O)OCC)(C)CC2)(C)CC1)C)C)/C
Compound: Montagnuphilone B
SMILES: O=C1C2=C(C=C(CCC(=O)O)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Spirobenzofuran
SMILES: O=C1CC2(C3=C(C=C(C)C(=C3)O)OC2O)C(C1)(C)C
Compound: Aspergilol A
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C4=C(O)C=C(OC5=CC(O)=CC(=C5)C)C=C4C)CCCCC
Compound: 13R-hydroxyplatencinic acid methyl ester
SMILES: O=C1C=C[C@@]23[C@H](O)C[C@@H](CC2[C@@]1(CCC(=O)OC)C)C(C3)=C
Compound: Sharkquinone
SMILES: O=C1C2=C(O)C=3C(=C(O)C=C(C3)C)C(=C2C(=O)C=4C1=C(O)C=CC4)O
Compound: (24E)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
SMILES: O=C(O)/C(=C/CCC([C@@H]1[C@@]2([C@@]([C@H]3[C@@]([C@H]4C([C@@](C(=O)O)([C@@H](O)CC4)C)=CC3)(C)CC2)(C)CC1)C)C)/C
Compound: Montagnuphilone C
SMILES: O=C1C2=C(C[C@](O)(CCC(=O)O)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Bilain A
SMILES: S([C@]1(N(C(=O)[C@@H](SC)N(C1=O)C)C)CC2=CC=C(OC/C=C(/C(=O)O)\C)C=C2)C
Compound: 9xi-O-2(2,3-dimethylbut-3-enyl)brevianamide Q
SMILES: O=C1N2[C@@](OC(C(=C)C)(C)C)(C(=O)NC1=CC=3C4=C(C=CC=C4)NC3C(C=C)(C)C)CCC2
Compound: Water-soluble monascus-pigment 7
SMILES: O=C1C=2C(C=C(/C=C/C)N(C2)C(C(=O)O)CCC(=O)O)=CC=3C1(OC(=O)C3C(=O)CCCCC)C
Compound: (2S,3S,4R,20R)-2-(20-hydroxydocosanoylamino)eicosane-1,3,4-triol
SMILES: O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCCCC)CO)[C@@H](O)CCCCCCCCCCCCCCCCCCCC
Compound: Penicitor A
SMILES: O=C1O[C@H](CC=2C1=C(O)C3=C(OC)C=C(O)C=C3C2)CCC
Compound: Desotamide A
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]1[C@@H](CC)C)=O)CC(C)C)=O)CC(C)C)CC=2C3=C(C=CC=C3)NC2)CC(=O)N
Compound: Cyclo-Tryprostatin D
SMILES: O=C1N2[C@H](C(=O)N3[C@@]1(O)C(=O)C=4C5=C(C=CC=C5)NC4[C@@H]3C=C(C)C)CCC2
Compound: Montagnuphilone D
SMILES: O=C1C2=C(C[C@@](O)(CCC(=O)O)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Rhinoclactone A
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)CCCCCCC[C@@H](OC2=O)C
Compound: Roseopurpurin D
SMILES: O=C1OC2=C(C(=O)[C@H](O)[C@@]([C@H]2OC3=C1C(=CC(=C3C)O)C)(OC)C)C
Compound: Aculene E
SMILES: O=C1C=C(CC)[C@H]2[C@@]1([C@@H](O)CC(C)=CC2)C
Compound: (1S,17R,20R)-9-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,7,20-trihydroxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one
SMILES: O=C1C2=C(O)C3=C(O[C@@]4(CC[C@H]([C@H]3O4)O)C)C=C2OC5=C1C(O)=CC(=C5)O[C@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO
Compound: Montagnuphilone E
SMILES: O=C1C2=C(C[C@](O)(CCCO)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: 16-O-alpha-D-tetraacetylglucopyranosyl hymatoxin C
SMILES: O=C(O)[C@@]1([C@H]2[C@@]([C@@H]3C(C[C@](CCOC4OC(C(OC(=O)C)C(C4OC(=O)C)OC(=O)C)COC(=O)C)(C)CC3)=CC2)(CCC1)C)C
Compound: Frenolicin E
SMILES: O=C1C2=C(O)C=CC=C2C(=O)[C@@]3([C@]1(O)[C@H](O[C@@H](C3)CC(=O)O)CCC)O
Compound: Rhinoclactone B
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)CCCC[C@H](CC[C@@H](OC2=O)C)O
Compound: Penicitor B
SMILES: O=C1C2=C(OC(=C1)C)C=C(O)C=C2CCC
Compound: Obscurolide-B3
SMILES: O=C1OC(C(O)/C=C/C)C(C1)NC2=CC=C(CO)C=C2
Compound: Montagnuphilone F
SMILES: O=C1C2=C(C[C@@](O)(CCCO)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: Rhinoclactone C
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C[C@H](O)CCC(CC[C@@H](OC2=O)C)=O
Compound: Methyldihydromitorubrin
SMILES: O=C1C=2C(=CC([C@@]1(OC(=O)C3=C(OC)C=C(O)C=C3C)C)=O)C=C(CCC)OC2
Compound: Acetyl ganohainanic acid A
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(COC(=O)C)C)=O)C)[C@@]4([C@H](O)C[C@@H]([C@]4(C1)C)[C@@H](CC(=O)C[C@@H](C(=O)O)C)C)C
Compound: BC 01_C1
SMILES: O=C1C(=CCC(C1)N)CCC(=O)CCC(CCO)CCC
Compound: Montagnuphilone G
SMILES: O=C1C2=C(C=C(CCC(=O)OC)OC2)C[C@@H]([C@@]1(O)C)OC(=O)C3=C(O)C=C(O)C=C3C
Compound: BC 01_C2
SMILES: O=C1C2C(C3CCC(C(C3C1)C(O)C(C(COCO)C)C)C)CCC(C2CN)O
Compound: (18S)-18-O-b-D-Glucopyranoside of protoconstipaticacid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C)[C@H](C1=C)C(=O)O
Compound: ethyl nonactyl nonactate
SMILES: O=C(O[C@H](C[C@H]1O[C@@H]([C@H](C(=O)OCC)C)CC1)C)[C@H]([C@H]2O[C@@H](C[C@H](O)C)CC2)C
Compound: Rhinoclactone D
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C[C@@H](OC)CCC(CC[C@@H](OC2=O)C)=O
Compound: 5-hydroxy-N-formylkynurenine
SMILES: [H]C(=O)Nc1ccc(O)cc1C(=O)CC(N)C(O)=O
Compound: Pestalofone A
SMILES: O=C1/C(=C/C=C(C)C)/C[C@H](O)[C@H]2[C@@]1(O2)CC=C(C)C
Compound: Octaminomycin A
SMILES: O=C1N([C@H](C(=O)N2[C@H](C(=O)O[C@@H]([C@H](NC(=O)CC)C(=O)N[C@@H](CC3=CC=CC=C3)C(N[C@@H](C(N[C@H](C(N4[C@H](C(N[C@H]1CC(C)C)=O)CCC4)=O)C(C)C)=O)CC(C)C)=O)C)CCC2)CC5=CC=C(O)C=C5)C
Compound: Tanzawaic acid G
SMILES: O=C(O)/C=C/C=C/C1=C2C(=CC=C1CO)C[C@@](O)(C)C[C@H]2C
Compound: BC 01_C3
SMILES: O=C(O/C=C(/CCCC)\CC)C1C(C(=O)OC/C(=C/C)/CCCC)CCCC1
Compound: Meridamycin
SMILES: O=C1N2C(C(=O)OC(/C(=C/C(C(O)C)C)/C)CC=C(C(O)C(CC(C=C(C(CC(CC(C(C(CC3OC(C1=O)(O)C(CC3)C)O)C)O)O)O)C)C)C)CC)CCCC2
Compound: Verrulactone A
SMILES: O=C1OC2=C(C(=C(O)C(=C2)O)C3=C(O)C(O)=CC4=C3C5=C(C(O)=CC(=C5)OC)C(O4)=O)C=6C1=C(O)C=C(OC)C6
Compound: Rhinoclactone E
SMILES: ClC1=C(O)C=C(OC)C2=C1CC(=O)C[C@H](OC)CCC(CC[C@@H](OC2=O)C)=O
Compound: 6-epi-ophiobolin G
SMILES: O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@H]([C@H](/C=C\C=C(C)C)C)CC[C@@]3(C2)C)C=O
Compound: Coralmycin C
SMILES: O=[N+]([O-])C1=CC=C(C(=O)NC2=CC=C(C(=O)N[C@H](C(=O)NC3=CC=C(C(=O)NC4=C(OC(C)C)C(O)=C(C(=O)NC5=C(OC(C)C)C=C(C(=O)O)C=C5)C=C4)C=C3)[C@@H](OC)C(=O)O)C=C2)C=C1
Compound: Bipolarisenol
SMILES: O=C1OC(=CC2=C1[C@@H](O)C[C@@H](O2)O)C=CC3=CC(O)=CC=C3
Compound: 5alpha-ergosta-7,22-dien-3beta-ol
SMILES: [H][C@@]12CC=C3[C@]4([H])CC[C@]([H])([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
Compound: Rhytidenone G
SMILES: O=C1C2=CCCC3([C@@H]2[C@H](O)[C@H]4[C@@H]1O4)OC=5C=6C(C=CC5)=CC=CC6O3
Compound: Octaminomycin B
SMILES: O=C1N([C@H](C(=O)N2[C@H](C(=O)O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(N[C@@H](C(N[C@H](C(N4[C@H](C(N[C@H]1CC(C)C)=O)CCC4)=O)C(C)C)=O)CC(C)C)=O)C)CCC2)CC5=CC=C(O)C=C5)C
Compound: Hexadec-12-en-2-one
SMILES: O=C(CCCCCCCCC/C=C\CCC)C
Compound: Coralmycin D
SMILES: O=C(O)C1=CC(OC(C)C)=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(NC(=O)[C@@H](NC(=O)C4=CC=C(NC(=O)C5=CC=C(N)C=C5)C=C4)[C@@H](OC)C(=O)N)C=C3)C=C2)C=C1
Compound: 15-De-N-methyl-thaxtomin A
SMILES: O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)NC3=O)C)=CC=C1
Compound: 8-hydroxyconiothyrinone B
SMILES: O=C1C2=C(O)C=C(C)C(=C2[C@H](O)[C@@H]3[C@@H]1CC[C@@H](C3)O)O
Compound: Rhytidenone H
SMILES: O=C1C2=CCCC3([C@@H]2[C@H](OC(=O)C)C=C1)OC=4C=5C(C=CC4)=CC=CC5O3
Compound: Aqabamycin B
SMILES: O=[N+]([O-])C1=C(O)C=CC(=C1)C=2C(=O)NC(C2C3=CC=C(O)C=C3)=O
Compound: Bacithrocin A
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H](NC(=O)CC(C)C)CC1=CC=CC=C1
Compound: Coralmycin E
SMILES: O=C(O)C1=CC(OC(C)C)=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(NC(=O)[C@@H](NC(=O)C4=CC=C(N)C=C4)[C@@H](OC)C(=O)N)C=C3)C=C2)C=C1
Compound: 5alpha-ergostane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@H](C)C(C)C
Compound: Phomaligadione B
SMILES: O=C1C(=C(OC)CC([C@]1(OC(=O)C(CC)C)C)=O)C
Compound: 8,11-dihydroxyconiothyrinone
SMILES: O=C1C2=C(O)C=C(CO)C(=C2[C@H](O)[C@@H]3[C@@H]1CC[C@@H](C3)O)O
Compound: F-10863C
SMILES: O=C(O)[C@@]1(O)[C@@]2(O[C@@](CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@H]1C(=O)O)[C@H]([C@@H]2OC(=O)CCCCCCCCC4=CC=CC=C4)O)C(=O)O
Compound: N-Me-trichodermamide B
SMILES: Cl[C@@H]1C=C[C@@H](O)[C@H]2[C@]1(O)CC(C(=O)N(C=3C(=O)OC=4C(OC)=C(OC)C=CC4C3)C)=NO2
Compound: Grabetaystatin C
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](O)[C@H](CC)C)CC(C)C)C)CCC(=O)N)CC(C)C)[C@H](CC)C)C)CC2=CC=CC=C2)CCC1
Compound: Coralmycin F
SMILES: O=C(O)C1=CC(OCC)=C(NC(=O)C2=C(O)C(OCC)=C(NC(=O)C3=CC=C(N)C=C3)C=C2)C=C1
Compound: (+)-ganoapplanin
SMILES: O=C1OC2=C3C(=C(O)C=C2)[C@@]4(O[C@H](OC)[C@@]56[C@@H](O)CC[C@@]6(C4)C(=O)OC5)OC=7C3=C1C(O)=CC7
Compound: 1-Hydroxyyanuthone A
SMILES: O=C1C=C([C@@H](O)[C@@H]2C1(O2)C/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C)COC(=O)C
Compound: Diaporphasine A
SMILES: O=C1C2=C(OC3=C1C=NC(=C3)C)C=C(OC)C=C2C(=O)OC
Compound: 4R,8-dihydroxyconiothyrione B
SMILES: O=C1C2=C(O)C=C(C)C(=C2[C@H](O)[C@@H]3[C@@H]1[C@H](O)C[C@H](O)C3)O
Compound: 5alpha-estrane
SMILES: [H][C@]12CCCC[C@]1([H])[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
Compound: (4aS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-3,4,5,6-tetrahydro-2H-phenanthren-9-one
SMILES: O=C1C(O)=C2[C@@](CCCC2(C)C)(C)C3(C1=C[C@@](C=C)(CC3)C)O
Compound: Coralmycin H
SMILES: O=C(O)C1=CC(OC(C)C)=C(NC(=O)C2=C(O)C(OCC)=C(NC(=O)C3=CC=C(N)C=C3)C=C2)C=C1
Compound: Roridin P
SMILES: O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=CC(C(OCCC(=C1)C)C)O)C
Compound: Diaporphasine B
SMILES: O=C1C2=C(OC3=C1C=NC(=C3)C)C(OC)=C(OC)C=C2C(=O)OC
Compound: Armillol
SMILES: O[C@@H]1C(=C2[C@@](C[C@@H]2O)(C)[C@@H]3[C@H]1CC(C)(C)C3)CO
Compound: 4S,8-dihydroxyconiothyrione B
SMILES: O=C1C2=C(O)C=C(C)C(=C2[C@H](O)[C@@H]3[C@@H]1[C@@H](O)C[C@H](O)C3)O
Compound: Langkocycline A1
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O)C)CC5)C)C(=O)C[C@@](O)(C)C4)O
Compound: Coralmycin G
SMILES: O=C(O)C1=CC(OC)=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(N)C=C3)C=C2)C=C1
Compound: Palmyramide A
SMILES: O=C1O[C@H](C(=O)O[C@H](C(=O)N2[C@H](C(=O)N([C@@H](C(N[C@H](C(O[C@@H](C1(C)C)CCC)=O)C(C)C)=O)C(C)C)C)CCC2)CC3=CC=CC=C3)C
Compound: 5alpha-gorgostane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)[C@@]1([H])C[C@]1(C)[C@H](C)C(C)C
Compound: SNF-4794-12
SMILES: S(=O)(=O)(OC1=CC(O)=CC(=C1)CCCCCCCCCCCCCCCC(O)C(O)CCCCCCCC)O
Compound: Diaporphasine C
SMILES: O=C1C2=C(OC3=C1C=NC(=C3)C)C(OC(=O)C)=C(OC)C=C2C(=O)OC
Compound: 4S,8-dihydroxy-10-O-methyldendryol E
SMILES: O=C1C2=C(O)C(=CC(=C2[C@@H](OC)[C@H]3[C@H]1C[C@H](O)C[C@@H]3O)O)C
Compound: Pleuroton B
SMILES: O=C(C=C(C)C)[C@]1(O[C@@H]2[C@@H](O)[C@](O)(C)CC[C@@H]2C1=C)O
Compound: Coralmycin I
SMILES: O=C(O)C1=CC(OCC)=C(NC(=O)C2=C(O)C(OC(C)C)=C(NC(=O)C3=CC=C(N)C=C3)C=C2)C=C1
Compound: 3,6,6'-Tri-0-ocetyl-2-0-octadecanoyl-alpha,alpha-D-trehalose
SMILES: O=C(OC1C(OC(COC(=O)C)C(C1OC(=O)C)O)OC2OC(C(O)C(C2O)O)COC(=O)C)CCCCCCCCCCCCCCCCC
Compound: Diaporphasine D
SMILES: O=C1C2=C(OC3=C1C=NC(=C3)CO)C=C(O)C=C2C(=O)OC
Compound: Pichiafuran B
SMILES: O1C(=CC=C1)[C@@H](OCCC2=CC=C(O)C=C2)CO
Compound: Emervaridione
SMILES: O=C1C=C[C@@]2([C@@]3(O)[C@]4([C@@]56C(C(=O)OC5)=C[C@@](C4)(C)C([C@H]3C6=C)=O)CC[C@H]2C1(C)C)C
Compound: 8-chloroxylarinol A
SMILES: ClC1=C(O)C2=C(C=CC(OC2)=O)C=C1
Compound: 5alpha-poriferastane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@H](CC)C(C)C
Compound: Meyeroguilline C
SMILES: O=C1N(CC2=C1C=C(O)C=C2O)CCCCC(=O)OC
Compound: Isodemethylchodatin
SMILES: ClC1=C2OC3=C(OC)C(O)=C(Cl)C(=C3C(C2=C(O)C(=C1O)Cl)=O)C
Compound: 2-ethyl-7-hydroxy-6,7-dihydro-5H-indolizin-3-one
SMILES: O=C1N2C(=C[C@@H](O)CC2)C=C1CC
Compound: Mycosporulone
SMILES: O=C1C=C[C@H](C)[C@@]2([C@H]1O)C(=O)OC(C2=O)=C
Compound: (2S,3S,4R)-2,4-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
SMILES: O=C1O[C@H](C)[C@H]([C@@H]1C)C(=O)O
Compound: Flavoroseoside
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(O[C@H]3O[C@H](CO)[C@H]([C@H]3O)O)C2O)C
Compound: Sporulositol A
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CC1=C(CC[C@@H]2[C@@]1(CCCC2(C)C)C)C
Compound: Meyeroguilline D
SMILES: O=C1N(CC2=C1C=C(O)C=C2O)CCO
Compound: Subvirensic acid
SMILES: O=C1OC2=C(C(=C(C(=O)O)C(=C2)O)C)OC3=C1C(=CC(=C3C=O)O)C
Compound: Bacillistatin 1
SMILES: O=C1O[C@@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(N[C@@H](C(O[C@@H](C(N[C@@H](C(O[C@H](C(N[C@H]1C(C)C)=O)C)=O)C(C)C)=O)[C@H](CC)C)=O)C(C)C)=O)C)C(C)C)[C@H](CC)C)C(C)C)C)C(C)C)[C@H](CC)C
Compound: 5alpha-pregnane
SMILES: [H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C
Compound: Monascustin
SMILES: O=C1N[C@](C(=O)N)(CC(C)C)[C@](C1)(O)C
Compound: (+/-)-aspergilol G
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C4=C(OC5=CC(O)=CC(=C5)C)C=C(C)C=C4O)CCCCC
Compound: Sporulositol B
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CC1=C(C[C@H](O)[C@@H]2[C@@]1(CCCC2(C)C)C)C
Compound: Inonoblin C
SMILES: O=C1OC(=CC(=C1C2=C(C=3OC(=CC(C3)=O)C)C=C(O)C(=C2)O)O)/C=C/C4=CC(O)=C(O)C=C4
Compound: Gloeosporone
SMILES: O=C1OC(O)(C(=O)CC2OC(CCCCC2)CCCCC)CC1
Compound: Annulohypoxyloman A
SMILES: O1[C@@H](CC=2C=C(O)C=C(C2C1)O)C
Compound: Auracin Q
SMILES: O=C1C2=C(NC(=C1C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)C)C=CC=C2
Compound: Sporulositol C
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CC1=C(CC[C@@H]2[C@@]1(CCC[C@@]2(CO)C)C)C
Compound: JBIR-06
SMILES: O=C1O[C@@H]([C@H](NC(=O)C2=C(O)C(NC=O)=CC=C2)C(=O)OC(C(CC)C)C(OC(C(C1(C)C)=O)CC(C)C)=O)C
Compound: (+/-)-aspergilol H
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@H](C4=C(O)C=C(OC5=CC(O)=CC(=C5)C)C=C4C)CCCC(=O)C
Compound: 14-hydroxy-cyclopeptine
SMILES: O=C1N([C@H](C(=O)NC2=C1C=CC=C2)CC3=CC=C(O)C=C3)C
Compound: Annulohypoxyloman B
SMILES: O1[C@@H](CC=2C=C(O)C(=C(C2C1)O)OC)C
Compound: Barmumycin
SMILES: O=C(N1[C@@H](C\C(\C1)=C/C)CO)C2=CC(OC)=C(O)C=C2
Compound: Eurothiocin B
SMILES: S(C(=O)C1=C(O)C2=C(O[C@H](C2)C(O)(CO)C)C=C1C)C
Compound: Aspergilol I
SMILES: O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(O)C3)[C@@H](CO)CC[C@@H](O)C
Compound: Emindole SC
SMILES: O=C(O[C@@H]1[C@]([C@H]2[C@]([C@]3(C=4NC=5C=CC=CC5C4C[C@@H]3C[C@H]2O)C)(C)CC1)(CCC=C(C)C)C)C
Compound: Sporulositol D
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CC1=C([C@H](O)C[C@@H]2[C@@]1(CCC[C@@]2(CO)C)C)C
Compound: Annulohypoxyloman C
SMILES: O1[C@@H](CC=2C=C(OC)C(=C(C2C1)O)OC)C
Compound: Kutzneride 5
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(NCCC5)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)C)=O)COC)[C@H](O)CC(=O)O
Compound: SB-311009
SMILES: O=C1OC(=CC(=O)NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2N1CCC2
Compound: 5alpha-stigmastane
SMILES: [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@@H](CC)C(C)C
Compound: 4-carbglyceryl-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether
SMILES: O=C(OC[C@@H](O)CO)C1=C(O)C=C(OC2=CC(O)=CC(=C2)C)C=C1C
Compound: 6-hydroxydiaporol
SMILES: O[C@@H]1[C@@H]2[C@@](C(CO)=C(C1)C)(CCC[C@@]2(CO)C)C
Compound: (6S,1S,2S)-hydroxypestalotin
SMILES: O=C1O[C@H]([C@@H](O)[C@@H](O)CCC)CC(=C1)OC
Compound: Annulohypoxylomanol A
SMILES: O1[C@@H]([C@@H](O)C=2C=C(OC)C(=C(C2C1)O)OC)C
Compound: Multiforisin I
SMILES: O=C1OC(=C(CO)C(=C1CO)OC)/C=C/C
Compound: Saccharosporone A
SMILES: O=C1C2=C(C(=O)C3=C1[C@H]4[C@](O)(C[C@H](C)CC4)[C@H](C3)O)C(O)=CC=C2
Compound: 2,4-dihydroxy-6-(4-methoxy-2-oxopentyl)-3-methylbenzaldehyde
SMILES: O=C(CC1=C(C(O)=C(C)C(=C1)O)C=O)C[C@@H](OC)C
Compound: Annulohypoxylomanol B
SMILES: O1[C@@H]([C@@H](O)C=2C=C(OC)C(=C(C2C1)O)O)C
Compound: Citrinadin B
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@@]14C([C@]5(O)C[C@@H]6CCC[C@H](N6C[C@]5(C4)NC)C)(C)C
Compound: Seco-sporulositol
SMILES: O([C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CC1=C(C(=CC=C1C)C)CCC=C(C)C
Compound: 5beta-androstane
SMILES: [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
Compound: Wortmannilactone F
SMILES: O=C1OC2C(C)C(C1([C@]2(/C=C/C=C/C=C/C=C(/[C@@H]3O[C@H]([C@@](O)(C)C=C3C)C)\C)C)C)=O
Compound: Penicillospirone
SMILES: O=C1C=C[C@@H](/C=C/C)[C@]2([C@H]1O)C(=O)O[C@@H]([C@@H]2O)C
Compound: Solanapyrone R
SMILES: O=C1OC(=CC(=C1C=O)OCC)[C@H]2[C@H]3[C@@H](C=C[C@@H]2C)CCCC3
Compound: Annulohypoxylomarin A
SMILES: O1[C@@H](CC=2C=CC(=C(C2C1)O)C)C
Compound: 2-{5-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}ethanol
SMILES: OCCC=1C2=C(C=CC(=C2)/C=C/C(=C)C)NC1
Compound: Sporuloside
SMILES: O1[C@H](OC[C@@]2(C3=C(C(=C(C)C(=C3)C)C)CCC2)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Compound: 22E, 24R-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
SMILES: O[C@]12C(=C[C@@H](O)[C@@]3([C@@]1(CC[C@@H](C3)O)C)O)[C@@]4(O)[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC2
Compound: Coriolopsin A
SMILES: O=C1OC(=O)[C@@H]2C1=C3[C@@H]([C@H](C)CC2)CC(C3)(C)C
Compound: Cervinin 59-acetate
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(COC(=O)C)CC(C)C)C(C)C)CCC3)(C)C)C)CCC2)(C)C)CC(C)C)(C)C)CCC1)C(NC(=O)C(NC(=O)C)CC(C)C)(C)C
Compound: 3,7-dihydroxy-1-methyldibenzofuran-2,9-dicarboxylic acid
SMILES: O=C(O)C1=C(O)C=C2OC=3C(C2=C1C)=C(C(=O)O)C=C(O)C3
Compound: Herierin V
SMILES: O=C1C(=C(OC(=C1)CO)C)COC(=O)C
Compound: 12-carbamoylstreptothricin D acid
SMILES: O=C(OCC1OC(NC2=N[C@H](C(=O)O)[C@H](N2)[C@H](O)CN)C(NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)C(C1O)O)N
Compound: 2-(5-Isopropyl-pyrazin-2-yl)-propan-2-ol
SMILES: OC(C1=NC=C(C(C)C)N=C1)(C)C
Compound: Coriolopsin B
SMILES: O=C1OC2([C@H]3CC(C)(C)CC3=C([C@@H]1CC2)C(=O)O)C
Compound: 9-(hydroxymethyl)-1-methyldibenzofuran-3,7-diol
SMILES: O1C2=C(C(=CC(=C2)O)CO)C3=C1C=C(O)C=C3C
Compound: Polysporin A
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)N)(C)C)(C)C)C(C)C)CCC1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C)(C)C)CCC3)(C)C)C)(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)C(C)C)(C)C
Compound: 1-O-beta-D-ribofuranose-morelin
SMILES: O=C(OC)/C=C/C1=C(O[C@H]2O[C@H](CO)[C@H]([C@H]2O)O)C=CC=C1
Compound: 3beta-Hydroxy-lanosta-8,24-dien-21-al
SMILES: 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)CCC=C(C)C
Compound: Phellinuin H
SMILES: O1[C@@H](C(O)(CCC=C(C)C)C)CC[C@@]([C@@H]1CO)(O)C
Compound: Fistularin-3
SMILES: BrC=1C(OC)=C(Br)[C@H](O)[C@]2(C1)ON=C(C2)C(=O)NCC(O)C3=CC(Br)=C(OCC(O)CNC(=O)C4=NO[C@@]5(C4)C=C(Br)C(OC)=C([C@@H]5O)Br)C(=C3)Br
Compound: 5beta-bufanolide
SMILES: [H][C@@]1(CCC(=O)OC1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C
Compound: 3beta,7beta,15alpha,24-tetrahydroxyolean-12-ene-11,22-dione
SMILES: O=C1C=C2[C@]([C@@H](O)C[C@@]3([C@H]2CC(C)(C)CC3=O)C)(C)[C@]4([C@H]1[C@@]5([C@H]([C@]([C@@H](O)CC5)(CO)C)C[C@@H]4O)C)C
Compound: 8,1′,5′-trihydroxy-3′,4′dihydro-1′H-[2,4′] binaphthalenyl-1,4,2′-trione
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C=C1[C@H]3C4=C(O)C=CC=C4[C@@H](O)C(C3)=O
Compound: Arisugacin G
SMILES: O=C1OC(C2=CC=C(OC)C=C2)=CC3=C1C[C@@H]4[C@@]5([C@H](C(C(=O)CC5)(C)C)CC[C@]4(O3)C)C
Compound: 13-hydroxylmacrophorin A
SMILES: O=C1C=C([C@@H](O)[C@@H]2[C@]1(O2)C[C@H]3C(=C)CC[C@@H]4[C@@]3(CCC[C@]4(CO)C)C)CO
Compound: Morelin
SMILES: O=C(OC)/C=C/C1=C(O)C=CC=C1
Compound: 11-hydroxyaerothionin
SMILES: BrC=1C(OC)=C(Br)[C@H](O)[C@]2(C1)ON=C(C2)C(=O)NCC(O)CCNC(=O)C3=NO[C@@]4(C3)C=C(Br)C(OC)=C([C@@H]4O)Br
Compound: 15alpha,22beta,24-trihydroxyolean-11,13-diene-3-one
SMILES: O=C1[C@]2(C(=C3C=C[C@@H]4[C@@]5([C@H]([C@]([C@@H](O)CC5)(CO)C)C[C@@H]([C@]4([C@]3(C)[C@H](C2)O)C)O)C)CC(C1)(C)C)C
Compound: Pityriacitrin
SMILES: O=C(C1=NC=CC2=C1NC=3C=CC=CC23)C=4C5=C(C=CC=C5)NC4
Compound: Wortmannolol
SMILES: O=C1C2=C([C@]3([C@H]4O[C@H]4[C@@H](C=5C3=C1OC5)O)C)CC[C@]6([C@H]2CC[C@@H]6O)C
Compound: Rigidiusculamide B
SMILES: O=C1N([C@@H](CC2=CC=C(O)C=C2)C([C@@]1(O)C)=O)C
Compound: 5beta-campestane
SMILES: [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CC[C@@H](C)C(C)C
Compound: Verongidoic acid
SMILES: BrC=1C(OC)=C(Br)[C@H](O)[C@]2(C1)ON=C(C2)C(=O)O
Compound: Mangrovlide A
SMILES: O=C1OC(=O)CC(COCCC1CC(=O)OC)CC(=O)OC
Compound: 6-hydroxy-2,7-dimethyl-1,4-naphthoquinone
SMILES: O=C1C2=C(C(=O)C=C1C)C=C(O)C(=C2)C
Compound: TAN-1511 C
SMILES: S(CC(NC(=O)CCCCCCCCCCCC)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N1C(C(=O)NC(C(=O)O)CC(C)C)CCC1)CC(=O)O)CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
Compound: Almadioxide
SMILES: Br[C@@H]1[C@@](Cl)(C[C@H]2O[C@@H]3C([C@@]2(C1)[C@]4(O[C@H]4C3)C)(C)C)C
Compound: Gymnastatin A
SMILES: ClC=1C(=O)C(Cl)=CC2(C1)OC(O)[C@H](C2)NC(=O)/C=C/C(=C/C(CCCCCC)C)/C
Compound: Lobarientalone A
SMILES: O=C1OC2=C(C3=C(C(=O)O[C@@H]3OC)C(=C2C)O)OC4=C1C(=CC(=C4CO)OC)C