MonarchInit/C3PO huggingface dataset:
Compound: Talaropeptide C
SMILES: O=C(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)O)CC(C)C)[C@H](CC)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)C)C)C)C)C(C)C)C(C)C)[C@H](O)C)C)C(C)C)CCC2
Compound: Actinozine A
SMILES: O=C1N[C@H](C(=O)N2[C@]1(OO)CCC2)CC(C)C
Compound: 20-Hydroxylucidenic acid D2
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)OC(=O)C)C(O)(CCC(=O)O)C)C
Compound: Spliceostatin E
SMILES: O=C1O[C@H](/C=C/C(=C/C[C@@H]2O[C@@H]([C@H](NC(=O)/C=C\[C@@H](OC(=O)C)C)C[C@@H]2C)C)/C)CC(=C1)C
Compound: Teratosphaerone B
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H](C1)C
Compound: D-alloisoleucine
SMILES: CC[C@H](C)[C@@H](N)C(O)=O
Compound: Neovasipyridone E
SMILES: O=C1C(C(=O)CC)=CN(CC)C(C1(O)C)C(=CC(CC)C)C
Compound: Cyclo(2-OH-D-Pro-L-Leu)
SMILES: O=C1N[C@H](C(=O)N2[C@]1(O)CCC2)CC(C)C
Compound: Talaropeptide D
SMILES: O=C(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)O)CC(C)C)[C@H](CC)C)C)CC1=CC=CC=C1)C)C(C)C)C)C(C)C)C)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)C)C)C)C)C(C)C)C(C)C)[C@H](O)C)C(C)C)C)C(C)C)CCC2
Compound: Bipolaride D
SMILES: O=C1OC(=O)C=2C(OC)=CC(=C3C2C1=C(O)C=4C([C@H](C)OC34)(C)C)C
Compound: Nodulisporacid A
SMILES: O=C/1O[C@H](CC(=O)O)C(\C1=C/2\O[C@@](C[C@@H](CC)C)(C)C=C2)=O
Compound: Iso-balticol B
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@@H](C1)CO
Compound: (-)-asperteretone A
SMILES: O=C(OC)[C@H]([C@@H](C1=CC=C(O)C=C1)C(=O)O)CC2=CC(O)=C(CC=C(C)C)C=C2
Compound: 7-Isopropenyl-4-methyl-6,7-dihydro-1-azu
SMILES: O=CC=1C=2C(C(=CC[C@@H](C2)C(=C)C)C)=CC1
Compound: Cladosin L
SMILES: O=C1N[C@@H](C(C)C)C(=C1C(=N)C[C@@H](O)C[C@H](O)C)O
Compound: 3-(2-methylpropyl)-5-propan-2-yl-1,2,4-trithiolane
SMILES: S1SC(CC(C)C)SC1C(C)C
Compound: Iso-balticol B-4,9-acetonide
SMILES: O=C1C2=C(O)C=C(OC)C=C2[C@@H]3OC(C)(C)OC[C@@H]3C1
Compound: Synechoxanthin
SMILES: O=C(O)C1=C(C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=C(C(=O)O)C=C2)C)C)\C)\C)/C)/C)C=C1)C)C
Compound: (+)-asperteretone A
SMILES: O=C(OC)[C@@H]([C@H](C1=CC=C(O)C=C1)C(=O)O)CC2=CC(O)=C(CC=C(C)C)C=C2
Compound: Virescenoside Z18
SMILES: O=C(OC)[C@H]1O[C@@H](OC[C@]2([C@@H](O)CC[C@]3([C@H]2CC=C4C3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@H]([C@@H]1O)O
Compound: Verrucosidinol
SMILES: O=C1OC(=C(C)C(=C1C)OC)C(O)([C@@H](O)/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)C
Compound: Ling Zhi-8
SMILES: O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C)CC(C)C)CCCN=C(N)N)CC1=CC=CC=C1)C(CC)C)CC(C)C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)N)C(O)C
Compound: Microporenic acid A
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)[C@@H](C(=O)O)CC(=O)O
Compound: Moniliferanone D
SMILES: O=C(C1=C(O)C=C(O)C=C1O)CCCC/C=C\C/C=C\CCCCCC
Compound: (-)-asperteretone C
SMILES: O=C1O[C@H](OC)C(=C1C2=CC=C(OC)C=C2)CC3=CC4=C(OC(C4)C(O)(C)C)C=C3
Compound: Virescenoside Z9
SMILES: O=C1[C@]2(O)[C@@H]([C@]3(C[C@@H](O)[C@@H]([C@@]([C@@H]3[C@H]1O)(CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)C)O)C)CC[C@@](C2)(C=C)C
Compound: 6-hydroxymetatacarboline E
SMILES: O=C(N[C@H](C(=O)O)C)C1=NC(=C2NC3=C(C2=C1)C=C(O)C=C3)CCC(=O)N4[C@H](C(=O)O)CCC4
Compound: Microporenic acid B
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)[C@@H](C(=O)O)CC(=O)OC
Compound: Diaporthemin B
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=C(C)C3)C(C4=C(O)C5=C(O)C=6C(=O)CC(O)(C)CC6C=C5C=C4OC)=C(O)C=C2O
Compound: (+)-asperteretone C
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(OC)C=C2)CC3=CC4=C(OC(C4)C(O)(C)C)C=C3
Compound: Heptaprenylcycline B
SMILES: O=C(C(CCCC(CCCC(C)C)C)C)CCC(CCC/C(=C\CCC(=C)C1CC=C(C)CC1)/C)C
Compound: Terpeptin
SMILES: O=C(N([C@H](C(=O)N/C=C\C=1C2=C(C=CC=C2)NC1CC=C(C)C)C(C)C)C)[C@@H](NC(=O)C)C(C)C
Compound: Virescenoside Z10
SMILES: O=C1C2=C([C@]3(CC[C@@H]([C@@]([C@@H]3C1)(CO[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H]([C@@H]4O)O)C)O)C)CC[C@@](C2)(C=C)C
Compound: (-)-asperteretone B
SMILES: O=C1O[C@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CC=C(C)C
Compound: (3Z,6Z,9Z,12Z,15Z,19Z,22Z,25Z,28Z)hentriaconta-3,6,9,12,15,19,22,25,28-nonaene
SMILES: C(=C\C/C=C\C/C=C\CC)\C/C=C\C/C=C\CC/C=C\C/C=C\C/C=C\C/C=C\CC
Compound: Ammocidin
SMILES: O=C1OC(C(C2(OC(C(O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@@](C4)(O)C)C)[C@H](C3)O)C)(C)C(C2OC)O)CCCOC)O)C)CC(OC)C(O)C=C(C=C(C=C(C(C(C=C(C=C(C=C1C)OC)C)C)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@@H]5O)O)C)C)C)C
Compound: Microporenic acid C
SMILES: O=C(O)/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[C@@H](C(=O)O)[C@@H](C(=O)O)CC(=O)O)/C)/C)/C)/C
Compound: Hypsiziprenol-AA12
SMILES: OC(C=C)(CC/C=C(/CCC(O)C(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC=C(C)C)C)C)C)C)C)C)C)C)C)\C)C
Compound: Virescenoside Z11
SMILES: O=C1C2=C([C@]3(C[C@@H](O)[C@@H]([C@@]([C@@H]3C1)(CO[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H]([C@@H]4O)O)C)O)C)CC[C@@](C2)(C=C)C
Compound: Okaramine H
SMILES: O=C1N2[C@@H]3NC=4C(=CC=CC4[C@]3(O)C[C@@H]2C(=O)N5C1=CC=6C7=C(C=CC=C7)NC6C(C=C5)(C)C)CC=C(C)C
Compound: Cinatrin A
SMILES: O=C1O[C@H](CCCCCCCCC=C)C[C@@]12OC(=O)[C@@H]([C@]2(O)C(=O)O)O
Compound: Microporenic acid D
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C)\C)[C@@H](C(=O)O)CC(=O)O
Compound: 3,4,5,6-Tetrahydro-6-hydroxymycomycin
SMILES: O=C(O)CCCCC(O)C=C=CC#CC#C
Compound: IT-143-A
SMILES: O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C/C(C(O)/C(=C/C(=C/C)/C)/C)C)/C)/C)\C
Compound: Virescenoside Z12
SMILES: O=C(OC)[C@H]1O[C@@H](OC[C@]2([C@@H](O)CC[C@]3([C@H]2CC=C4C3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@@H]([C@@H]1O)O
Compound: (+)-asperteretone B
SMILES: O=C1O[C@@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CC=C(C)C
Compound: 3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]-1H-pyrrole-2,5-dione
SMILES: O=C1NC(=O)C(=C1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: Microporenic acid E
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@H](C(=O)O)CC(=O)O
Compound: Aniquinazoline B
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@H]2CC(O)([C@H]4N(C5=CC=CC=C5)C(=O)[C@@H](N4)C(C)C)C)=O)C
Compound: Spiroindimicin B
SMILES: ClC1=CC=2C=3C=4C(=C(C(=O)OC)NC4)[C@]5(C3NC2C=C1)C6=C(C=CC(=C6)Cl)N(C5)C
Compound: Virescenoside Z13
SMILES: O=C(OC)[C@H]1O[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2CC=C4C3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@@H]([C@@H]1O)O
Compound: (-)-asperteretone D
SMILES: O=C1O[C@H](OC)C(=C1C2=CC=C(O)C=C2)CC3=CC4=C(OC(C)(C)CC4)C=C3
Compound: Cheimonophyllon D
SMILES: O=C1C=C(CCC1C(=C)C(O)C(=O)CC(C)C)C
Compound: Malbranpyrrole D
SMILES: ClC1=C(NC=C1)/C=C(/C=C/C=2OC(=O)C=3C(C)(C)[C@@H](OC3C2C)C)\C
Compound: Microporenic acid F
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CC[C@H](O)[C@](O)(CCC=C(C)C)C)\C)\C)[C@@H](C(=O)O)CC(=O)O
Compound: Decarboxy-2′-O-methyldivaricatic acid
SMILES: O=C(OC1=CC(OC)=CC(=C1)CCC)C2=C(O)C=C(OC)C=C2CCC
Compound: Virescenoside Z14
SMILES: O=C1C2=C[C@@](C=C)(CCC2[C@]3(C[C@@H](O)[C@@H]([C@@]([C@@H]3C1)(CO[C@@H]4O[C@H](C(=O)OC)[C@@H](O)[C@H]([C@@H]4O)O)C)O)C)C
Compound: Nostoclide II
SMILES: ClC1=C(O)C=CC(=C1)/C=C/2\OC(=O)C(=C2C(C)C)CC3=CC=CC=C3
Compound: Dentigerumycin E
SMILES: O=C1O[C@H]([C@H](NC(=O)[C@@](O)([C@@]2(O[C@@H]([C@@H](CC(=O)O)CC2)CC)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)CC(N4[C@@H](C(N5[C@H](C(N([C@H]1[C@H](O)C)O)=O)CCCN5)=O)CCCN4)=O)C(C)C
Compound: Apicidin A
SMILES: O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1C(CC)C)=O)CC=3C4=C(C=CC=C4)NC3)CCCCCC(=O)CC)CCCC2
Compound: Microporenic acid G
SMILES: O=C(O)[C@H](OC/C=C(/CC/C=C(/CC/C=C(/CC[C@H](O)C(O)(C)C)\C)\C)\C)[C@@H](C(=O)O)CC(=O)O
Compound: Nigrospine
SMILES: O=C1N([C@@H]([C@H](O)C)[C@]2([C@@]1(O)C3=C(O)C(=C([C@@H]([C@H](O)C)C)C=C3O2)C)O)C
Compound: Virescenoside Z15
SMILES: O=C1C2=C([C@]3(C[C@@H](O)[C@@H]([C@@]([C@@H]3C1)(CO[C@@H]4O[C@H](C(=O)OC)[C@@H](O)[C@H]([C@@H]4O)O)C)O)C)CC[C@@](C2)(C=C)C
Compound: SEK43F
SMILES: O=C1OC(=CC(=C1C=C2N=C(C)C(=C2C)C)O)CC3=C(C(O)=CC=C3)C(=O)C4=C(O)C=C(O)C=C4C
Compound: [(9Z,11Z,13S,14S,15Z,17S,18R,19S,21S)-3,13,19-trimethoxy-9,15,17,21-tetramethyl-4,8,23-trioxo-22-oxa-7-azatricyclo[16.3.1.12,6]tricosa-2,5,9,11,15-pentaen-14-yl] carbamate
SMILES: O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C3O[C@H]([C@@H](C)C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)[C@@H](OC)C[C@@H]3C
Compound: Cyclopiamine C
SMILES: O=[N+]([O-])[C@@]12[C@H](C(C)(C)[C@@]3(C1)C(=O)N4C([C@@H](O)C(C=5C4=C3C=CC5OC)=O)(C)C)C[C@H]6[C@H]7O[C@H]7CN6C2
Compound: 12-hydroxy-sclerosporin
SMILES: O=C(O)C1=CC[C@H](C(CO)C)[C@@H]2[C@H]1CCC(=C2)C
Compound: Rancinamycin II
SMILES: O=C(OC1C(=CC(O)C(C1O)O)C=O)CCCC
Compound: Virescenoside Z16
SMILES: O=C1[C@@]([C@H]2[C@](C3C(C[C@](C=C)(C)CC3)=CC2)(C)CC1)(CO[C@@H]4O[C@H](C(=O)OC)[C@@H](O)[C@H]([C@@H]4O)O)C
Compound: Fluoquinone
SMILES: O=C1O[C@H](CC=2C1=C(O)C=3C(=O)C4=C(O)C=CC=C4C(C3C2)=O)CC(=O)C
Compound: Viridomonic acid B
SMILES: O=C1C2[C@@]([C@]3(C[C@@H](\C(\C3[C@H]1O)=C(/C(=O)OC)\CCC=C(C)C)OC(=O)C)C)([C@@H](O)[C@H](OC(=O)C)C4[C@@]2(CC[C@H]([C@H]4C)O)C)C
Compound: Cyclopiamine D
SMILES: O=[N+]([O-])[C@@]12[C@H](C(C)(C)[C@@]3(C1)C(=O)N4C([C@@H](O)C(C=5C4=C3C=CC5O)=O)(C)C)C[C@H]6[C@H]7O[C@H]7CN6C2
Compound: Astraeusin A
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](/C=C/C=C(/C=O)\C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: 6-[(E)-Hept-1-enyl]-alpha-pyrone
SMILES: O=C1OC(=CC=C1)/C=C/CCCCC
Compound: 3,3',4,4',5,5'-hexamethyl-2,2'-dipyrrolylmethene
SMILES: N=1/C(/C(C)=C(C1C)C)=C\C=2NC(C)=C(C2C)C
Compound: Virescenoside Z17
SMILES: O=C(OCCCC)[C@H]1O[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2CC=C4C3CC[C@@](C4)(C=C)C)C)C)[C@@H](O)[C@@H]([C@@H]1O)O
Compound: Marinobactin C
SMILES: O=C1NCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CO)NC(C(C1O)NC(=O)CCCCCCCCCCCCC)=O
Compound: Herbicidin L
SMILES: O=C(O[C@@H]1[C@H](O[C@@H]2C[C@H]3O[C@H]([C@@H]([C@H]3O[C@]2([C@@H]1O)O)OC)N4C5=NC=NC(=C5N=C4)N)C(=O)OC)/C(=C/C)/CO
Compound: Coleophomone E
SMILES: O=C1C(=CC[C@@H]([C@]12C(=O)C=3C(O)=CC(=CC3[C@@H]2O)C)O)CC=C(C)C
Compound: Guadinomine A
SMILES: O=C(N1C(=NC(C1)C(O)C(O)C(O)CCC(N)C(N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)N)N
Compound: Glisoprenin E
SMILES: OC(C(O)CC/C(=C/CO)/C)(CC/C=C(/CC/C=C(/CCCC(O)(CCCC(O)(CCCC(O)(CCCC(O)(CCC(O)C(O)(C)C)C)C)C)C)\C)\C)C
Compound: Dechdigliotoxin A
SMILES: S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO
Compound: (4E,6Z)-N-(5-ethyl-5-methyl-2-oxofuran-3-yl)-8-(3-hexyloxiran-2-yl)-3-hydroxyocta-4,6-dienamide
SMILES: O=C1OC(CC)(C)C=C1NC(=O)CC(O)/C=C/C=C\CC2OC2CCCCCC
Compound: Coleophomone F
SMILES: O=C1C(=CC[C@@H]([C@]12C(=O)C=3C(O)=CC(=C(C3[C@@H]2O)OC)C)O)CC=C(C)C
Compound: Pentaminomycin A
SMILES: O=C1N[C@@H](C(=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)CCCN(O)C(=N)N)CC=2C3=C(C=CC=C3)NC2)C(C)C
Compound: Bromosphaerone
SMILES: Br[C@@H]1[C@@]2([C@@H]([C@@](O)(C)[C@H](C1)O)[C@@H]3C(=O)C=C[C@H]([C@@]3(CBr)CC2)C(C)C)C
Compound: [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] butanoate
SMILES: O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)CCC)C[C@@H](N6C[C@@]5(C4)NC)C)C
Compound: Dechdigliotoxin B
SMILES: S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO
Compound: Circumdatin F
SMILES: O=C1N[C@H](C2=NC=3C=CC=CC3C(N2C4=C1C=CC=C4)=O)C
Compound: Diorcinol L
SMILES: O=C(OC)C1=C(OC2=CC(O)=CC(=C2)C)C=C(O)C=C1C
Compound: Pentaminomycin B
SMILES: O=C1N[C@H](C(=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)CCCN(O)C(=N)N)CC=2C3=C(C=CC=C3)NC2
Compound: 4-dechloro-14-deoxy-oxacyclododecindione
SMILES: O=C1C(=CCCC(C(C)OC(CC=2C1=C(O)C=C(O)C2)=O)C)C
Compound: Dechdigliotoxin C
SMILES: S(S[C@@]12N(C(=O)[C@@](O)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO
Compound: Boletocrocin A
SMILES: O=C(N[C@H](C(=O)O)[C@H](CC)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)O
Compound: Austrocolorin A1
SMILES: O=C1C2=C(O)C3=C(OC)C=C(OC)C=C3C(=C2C[C@@](C1)(O)C)C=4C=5C(C(O)=C6C4C[C@@](O)(C)CC6=O)=C(OC)C=C(C5)OC
Compound: Diorcinol M
SMILES: O=C(OC)C1=C(OC2=C(C(=CC(=C2)O)C)C(=O)N)C=C(O)C=C1C
Compound: Imaqobactin
SMILES: O=C1OC(CC(=O)N(O)CCC[C@H](C(N[C@H](C(N[C@H]1[C@@H](O)C(=O)O)=O)[C@H](O)C)=O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)CCCCCCCCCCC)CCCN(O)C=O)C)CO)C
Compound: Erinacerin Q
SMILES: O=C1N(CC2=C1C=C(O)C(=C2O)C/C=C(/CC/C=C(/C(=O)O)\C)\C)CCC3=CC=CC=C3
Compound: Parimycin
SMILES: O=C1C2=C(OC(=C1)[C@@](O)(CC)C)C3=C(O)C4=C(C(=O)CCC4=O)C(=C3C=C2C)O
Compound: 1-hydroxy-6-methyl-11-methoxy-8-hydroxymethylxanthone
SMILES: O=C1C2=C(OC3=C1C(=C(OC)C(=C3)C)CO)C=CC=C2O
Compound: Piltunine A
SMILES: O=C(O)[C@]1(O)[C@@H]2OC[C@]3(C2)CC\C(\[C@@H]3CC1)=C(/CO)\C
Compound: Peniophoral
SMILES: O=C(C=C(C)C)C[C@@](O)(C1=CC=C(C=O)C=C1)C
Compound: 3,5-Dihydroxy-4-(3-methylbut-2-enyl)benzene-1,2-dicarbaldehyde
SMILES: O=CC1=C(O)C(=C(O)C=C1C=O)CC=C(C)C
Compound: Isochromophilone A
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@@H](C(=O)C)C(O[C@]3([C@H]1O)C)=O
Compound: Piltunine B
SMILES: O=C(O)[C@]1(O)[C@@H]2OC[C@]3(C2)CC\C(\[C@@H]3CC1)=C(/COC(=O)C)\C
Compound: Grabetaystatin A
SMILES: O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@@H](N(C)C)C(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)[C@H](O)C)C)C)CC2=CC=CC=C2)CCC1
Compound: Arenicolide C
SMILES: O=C1O[C@@H](/C=C/C[C@H](O)[C@@]2(O[C@@H](CCC)[C@H]([C@H]2O)OC)C)[C@H](OC)[C@@H](O)[C@@H](C=C(C=C[C@@H](O)[C@H](OC)CCCC(C=C(C=C[C@H]([C@@H](C=CC=C1)OC)O)C)C)C)C
Compound: Porric acid E
SMILES: O=C(O)C1=C2OC=3C(O)=C(O)C=C(C3C2=CC(=C1)O)C
Compound: Emerimidine B
SMILES: O=C1NCC2=C1C=C(OC)C(=C2OC)O
Compound: Isochromophilone B
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@@H](C(=O)C)C(O[C@]3([C@H]1OC)C)=O
Compound: Plicatilisin H
SMILES: O=C1[C@@H](O)C2=C3OCC4=C3[C@](CC[C@@H]4O)(C)CC[C@@]2([C@H]1C(C)C)C
Compound: Piltunine C
SMILES: O=C(O)[C@]1(O)[C@@H]2O[C@@H](O)[C@]3(C2)CCC([C@@H]3CC1)=C(C)C
Compound: Penicilleremophilane B
SMILES: O=C1C=C2[C@@]3([C@H]([C@H](O)CC2)C)C[C@@]1(OC3)C(=C)C
Compound: XR-335
SMILES: O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)CC3=CC=CC=C3
Compound: 7-(2-hydroxyphenyl) butane-7,8,9-triol
SMILES: OC1=C(C=CC=C1)C(O)C(O)C(O)C
Compound: 5-methyl-2-furaldehyde
SMILES: [H]C(=O)C1=CC=C(C)O1
Compound: D-arabinaric acid
SMILES: [H][C@@](O)(C(O)=O)C([H])(O)[C@]([H])(O)C(O)=O
Compound: Isochromophilone C
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@@H](C(=O)C)[C@](O[C@]3(C1=O)C)(OC)C
Compound: Piltunine D
SMILES: O=C(O)[C@]1(O)[C@@H]2OC[C@]3(C2)CC=C([C@@H]3CC1)C(OC)(C)C
Compound: Phenochalasin A
SMILES: O=C1OC=CC(O)(C(=O)C(C)CC=CC2C3(O1)C(=O)NC(C3C(C)C(=C2)C)CC4=CC=C(O)C=C4)C
Compound: 4-methyl-2-(3-methyl-2-butenyl)-furan
SMILES: O1C(=CC(=C1)C)CC=C(C)C
Compound: 2-(1-Methylethylidene)pentanedioic acid
SMILES: O=C(O)C(=C(C)C)CCC(=O)O
Compound: Saccharomonosporine A
SMILES: BrC1=CC=2NC(=O)\C(\C2C=C1)=C\C(=N)/C=C/C3=CC=C(OC)C=C3
Compound: Isochromophilone D
SMILES: ClC1=C2C(=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C)[C@@H]3[C@@H](C(=O)C)[C@@](O[C@]3(C1=O)C)(OC)C
Compound: (1S,3S)-1,6,8-trihydroxy-3-(7-hydroxyheptyl)isochroman-7-carboxylic acid
SMILES: O=C(O)C1=C(O)C2=C(C[C@H](CCCCCCCO)O[C@@H]2O)C=C1O
Compound: Talacoumarin A
SMILES: O=C1OC2=C(O)C=C(OC)C=C2C=C1C[C@@H](O)C
Compound: Piltunine E
SMILES: O=C(O)[C@]1(O)[C@@H]2OC[C@]3(C2)CC=C([C@@H]3CC1)C(=O)C
Compound: Isochromophilone E
SMILES: ClC1=C2C(C3=C(C(OC)(OC)C)C(O[C@]3(C1=O)C)=O)=COC(=C2)/C=C/C(=C/[C@H](CC)C)/C
Compound: Convolutamydine F
SMILES: BrC1=CC=2NC(=O)[C@](C2C=C1)(O)CC(=O)C
Compound: Saccharothriolide B
SMILES: O=C1O[C@H](C2=CC(O)=CC(=C2)O)[C@@H]([C@@H](NC3=C(O)C=CC=C3)[C@@H](C)C([C@H]([C@H]([C@H]1C)O)C)=O)C
Compound: Tropolactone D
SMILES: O=C1OC([C@@H]2CC[C@]3([C@H]([C@]2([C@@H](C1)O)C)C[C@]4(C(=C(C(=O)OC)C(C(=C4O3)C)=O)C)C)C)(C)C
Compound: 1-deoxy-N-acetylglucosamine
SMILES: O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1)C
Compound: 7-formyl-3-methoxy-5-methylindanone
SMILES: O=C1C2=C(C=C(C)C=C2[C@H](C1)OC)C=O
Compound: Piltunine F
SMILES: O=C(O)[C@]1(O)[C@@H]2OC[C@]3(C2)CCC(=C3CC1)C(=O)C
Compound: Isochromophilone F
SMILES: ClC=1C(=O)[C@@]2(OC(=O)\C(\[C@]2(O)[C@@]34C1C=C(O[C@@H]3O4)/C=C/C(=C/[C@H](CC)C)/C)=C(\O)/C)C
Compound: 5-oxolasiodiplodin
SMILES: O=C1O[C@H](CC(=O)CCCCCC=2C1=C(OC)C=C(O)C2)C
Compound: Chrondramide 10
SMILES: ClC1=C(OP(=O)(O)O)C=CC(=C1)C2NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](C)CC(=C[C@@H]([C@H](OC([C@H]2OC)=O)C)C)C)C)C)CC3=C(Cl)NC4=C3C=CC=C4
Compound: D-arabinonic acid
SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
Compound: 10-epi-HSAF
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H](C(CC)C[C@H]5C4)C)[C@@H](C3)O
Compound: 3A-deolivosyl-mithramycin
SMILES: O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H](C4)O)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@@H]([C@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@](C7)(O)C)C)C)C)[C@H](OC)C(=O)[C@@H](O)[C@H](O)C)C
Compound: 10-dihydro-12-hydroxynaphterpin
SMILES: O=C1C=2OC([C@H]3C[C@H](O)[C@@H](C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)C)(C)C
Compound: 9-hydroxy-3'-N-acetylholyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)NC(=O)C)C)C5=C3C=CC=C5)=C6NC7=C(C26)C=C(O)C=C7
Compound: [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2Z,4E,6E)-octa-2,4,6-trienoate
SMILES: O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)/C=C\C=C\C=C\C)C
Compound: 10-Oxodihydrobotry-1(9),4(5)-diendial
SMILES: O=C1OC[C@]2(CC(C=3C2=C1[C@@H](CC3)C)(C)C)C
Compound: 10-epi-3-deOH-HSAF
SMILES: O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H](C(CC)C[C@H]5C4)C)[C@@H](C3)O
Compound: [(2R,3S,4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] acetate
SMILES: O=C1C=2OC([C@H]3C[C@H](OC(=O)C)[C@@H](C[C@H]3C2C(=O)C=4C1=C(O)C(=C(O)C4)C)C)(C)C
Compound: Versixanthone C
SMILES: O=C1C2=C(O[C@](C1)(C(=O)OC)[C@@H]3OC(=O)C[C@@H]3C)C(C4=C(O)C=5C(O)=C6C(=O)C[C@H](C)[C@H]([C@]6(C(=O)OC)OC5C=C4)O)=CC=C2O
Compound: Dermacozine D
SMILES: O=C1O[C@](C2=CC=CC=C2)(C(=O)OC)C=3C1=C4N(C5=C(C(C(=O)N)=CC=C5)NC4=CC3)C
Compound: 9-hydroxyl-K252c
SMILES: O=C1NCC=2C1=C3C(NC4=C3C=CC=C4)=C5NC6=C(C25)C=C(O)C=C6
Compound: Dihydrotetrodecamycin
SMILES: O=C1C=2C(=O)O[C@H](C2O[C@H]3[C@H]([C@@]1([C@H]4[C@](O)([C@@H]3O)CCCC4)C)C)C
Compound: 10-epi-maltophilin
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H](C(CC)C[C@H]5C4)C)C(C3)=O
Compound: S. salinus M19-40T lipid A
SMILES: P(=O)(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCC)CO[C@@H]2O[C@@H]([C@@H](OP(=O)(O)O)[C@@H]([C@H]2NC(=O)CC(=O)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCC)CO)(O)O
Compound: (22E)-ergosta-4,6,8(14),22,24(28)-pentaen-3-one
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](/C=C/C(=C)C(C)C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1
Compound: Streptocarbazole E
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@H](C)[C@@H]([C@@](N6C4C2C7=C6C=CC=C7)(O)C5)O)C8=C3C=C(O)C=C8
Compound: Armeniaspirol C
SMILES: ClC=1C(=O)N(C)[C@@]2(C1Cl)OC=3C(=C(O)C=CC3C2=O)CCC[C@H](CC)C
Compound: Violapyrone C
SMILES: O=C1OC(=CC(=C1C)O)CCCC[C@H](CC)C
Compound: 10-epi-xanthobaccin C
SMILES: O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H](C(CC)C[C@H]5C4)C)C(C3)=O
Compound: 3-[(Z)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodec-7-enoyl]oxydecanoic acid
SMILES: O=C(OC(CC(=O)O)CCCCCCC)CC(OC1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)CCC/C=C\CCCC
Compound: Cochleamycin B2
SMILES: O=C1O[C@@H]2CC([C@@]13C(C[C@@H]4C=C[C@@H]5[C@H]([C@@H]4C3)C[C@@H](C)[C@H]5OC(=O)C(C)C)C2)=O
Compound: 3-hydroxy-K252c
SMILES: O=C1NCC=2C1=C3C(NC4=C3C=C(O)C=C4)=C5NC6=C(C25)C=CC=C6
Compound: 24-Demethyl-bafilomycin C1
SMILES: O=C1OC([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)O)CC)O)C)C
Compound: 6-ethyl-2-hydroxy-4-methoxy-3-methylbenzaldehyde
SMILES: O=CC1=C(O)C(=C(OC)C=C1CC)C
Compound: Labrenzide
SMILES: O=C(O)CCC[C@H]1[C@@H](CCCCCC)C1
Compound: 10-epi-hydroxymaltophilin
SMILES: O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@@]5(O)[C@@H](C(CC)C[C@H]5C4)C)C(C3)=O
Compound: 2-Methylbutyric acid 2-phenylethylamide
SMILES: O=C(NCCC1=CC=CC=C1)[C@H](CC)C
Compound: Diaporol G
SMILES: O=C1C(=C([C@]2(CC[C@H](C([C@@H]2C1)(C)C)O)C)CO)C
Compound: 3-hydroxy-7-methoxy-K252c
SMILES: O=C1N[C@@H](OC)C=2C1=C3C(NC4=C3C=C(O)C=C4)=C5NC6=C(C25)C=CC=C6
Compound: 3-chloro-4-(2-nitro3-chlorophenyl)-pyrrole
SMILES: ClC1=C([N+](=O)[O-])C(=C(O)C=C1)C=2C(Cl)=CNC2
Compound: Cis-cascarillic acid
SMILES: O=C(O)C[C@H]1[C@@H](CCCCCC)C1
Compound: Spirangien O
SMILES: O=C(O)C[C@H](OC)/C=C\C=C\C=C/C=C/C=C\[C@@H]([C@H](O)[C@@H]([C@H]1O[C@]2(O[C@@H]([C@H](C)[C@@H](C2)OC)[C@@H]([C@@H](O)[C@H](C/C(=C/C)/C)C)C)[C@H](O)C[C@@H]1C)C)C
Compound: 3-hydroxy-3'-N-acetylholyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)NC(=O)C)C)C5=C3C=C(O)C=C5)=C6NC7=C(C26)C=CC=C7
Compound: Oxisterigmatocystin D
SMILES: O=C1C2=C(OC3=C1C(O)=CC=C3OC)C4=C(O[C@@H]5[C@H]4C[C@@H](OC(=O)C)O5)C=C2OC
Compound: 10-epi-FI-2
SMILES: O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@@]5(O)[C@@H](C(CC)C[C@H]5C4)C)C(C3)=O
Compound: Trans-4-aminoproline
SMILES: O=C(O)[C@H]1NC[C@@H](C1)N
Compound: (2S)-3-hydroxy-2-[(3-hydroxyquinoline-2-carbonyl)amino]propanoic acid
SMILES: O=C(N[C@H](C(=O)O)CO)C1=NC=2C(=CC=CC2)C=C1O
Compound: Ganocin B
SMILES: O=C1C=C2C3=C(O[C@]4([C@@]2([C@@H](C(=C)C)CC4)CC1)C)C=CC(=C3)O
Compound: 19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one
SMILES: O=C1C2=C([C@]3(CC[C@@H]([C@@]([C@@H]3C1)(CO[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4NC(=O)C)O)CO)C)O)C)CC[C@@](C2)(C=C)C
Compound: Panclicin C
SMILES: O=C1O[C@@H](C[C@@H](OC(=O)CNC=O)CCCCCCC)[C@@H]1CCCCCCCC(C)C
Compound: 3-hydroxyholyrine A
SMILES: O=C1NCC=2C1=C3C(N([C@@H]4O[C@H]([C@H](O)[C@@H](C4)N)C)C5=C3C=C(O)C=C5)=C6NC7=C(C26)C=CC=C7
Compound: Neo-debromoaplysiatoxin E
SMILES: O=C1O[C@@]2(CC(C)(C)C3=C(C2=C1)[C@@H](O)[C@@H](C)[C@@H](O3)[C@H](CC[C@H](OC)C4=CC(O)=CC=C4)C)C
Compound: Epothilone M
SMILES: S1C(=NC(=C1)/C=C\2/[C@H](O)C[C@@H]3O[C@@H]3CCC[C@@H]([C@H](O)[C@H](C(C([C@H](CC(OC2)=O)O)(C)C)=O)C)C)C
Compound: (2S)-5-amino-2-[(3-hydroxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid
SMILES: O=C(N[C@H](C(=O)O)CCC(=O)N)C1=NC=2C(=CC=CC2)C=C1O
Compound: Microsphaeropsin A
SMILES: O1[C@H]2C=C3[C@@]([C@@H](CC[C@@H]3O)C)(C)[C@@H]([C@@]2(O)C(C1)=C)O
Compound: Neo-debromoaplysiatoxin F
SMILES: O=C1O[C@]2(CC(C)(C)C3=C(C2=C1)[C@H](O)[C@H](C)[C@H](O3)[C@@H](CC[C@H](OC)C4=CC(O)=CC=C4)C)C
Compound: 3'-O-demethyl-4'-N-demethyl-4'-N-acetyl-4'-epi-staurosporine
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](O)[C@@H](C5)NC(=O)C)C)C8=C3C=CC=C8
Compound: 3874 H3
SMILES: O=C1OC(C(C=CC=CC=CC=CC=CC=CC=CC(OC2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)CC3OC(CC(CC(CC(CCCC(CC(C1)O)O)O)O)O)(O)CC(O)C3C(=O)O)C)C(CCC(O)CC(=O)/C=C/C=C/C)C
Compound: Suncheonoside C
SMILES: S(C(=O)C1=C(OC)C(=C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)C(=C1C(C)C)C)C)C
Compound: (2R)-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]-3-sulanylpropanoic acid
SMILES: SC[C@H](NC(=O)C=1N=C(C2=NC=3C(=CC=CC3)C=C2O)OC1)C(=O)O
Compound: Penicixanthene A
SMILES: O1C2=C3C(O[C@@H](C)C[C@@H]3C4=C1C=CC=C4O)=CC=C2
Compound: Malabetaezialactic acid
SMILES: O=C(O)[C@H](O)CC=1C2=C(C=CC=C2)NC1CC=3C4=C(C=CC=C4)NC3
Compound: Streptocarbazole D
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@@H](C)[C@@H]([C@@](N6C4C2C7=C6C=CC=C7)(O)C5)O)C8=C3C=C(O)C=C8
Compound: Psychrophilin E
SMILES: O=C1N2C3=C(C=CC=C3)C(=C2)C[C@@H](NC(=O)C)C(=O)N4[C@H](C(NC5=C1C=CC=C5)=O)CCC4
Compound: (2R)-3-[[(2R)-2-carboxy-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]ethyl]disulanyl]-2-[[2-(3-hydroxyquinolin-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
SMILES: S(SC[C@H](NC(=O)C=1N=C(C2=NC=3C(=CC=CC3)C=C2O)OC1)C(=O)O)C[C@H](NC(=O)C=4N=C(C5=NC=6C(=CC=CC6)C=C5O)OC4)C(=O)O
Compound: Ergoptine
SMILES: O=C1N2[C@H]([C@@]3(O[C@](C(N3[C@H]1CC(C)C)=O)(NC(=O)[C@@H]4C=C5C6=C7C(NC=C7C[C@H]5N(C4)C)=CC=C6)CC)O)CCC2
Compound: Penicixanthene B
SMILES: O=C(C1=C2OC3=C(C(O)=CC=C3)[C@@H](C2=CC=C1O)C[C@H](O)C)CCC
Compound: Leustroducsin B
SMILES: P(=O)(OC(C(O)(C=CC1OC(=O)C=CC1CC)CCN)CC(O)C=CC=CC2CC(OC(=O)CCCCC(CC)C)CCC2)(O)O
Compound: Trichodermide A
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)N[C@H](CO)CC(C)C)CCC2)(C)C)CC(C)C)[C@H](CC)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)C)(CC)C)CCC(=O)N)[C@H](CC)C)C(C)C)(C)C
Compound: Necpyrone A
SMILES: O=C1O[C@H]([C@@H](O)CC[C@@H](O)C)CC(=C1)OC
Compound: 2H-(2E)-tricycloalternarene 12a
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCCC(COC(=O)C)C)C)C)C(O)CC1
Compound: 2(S)-3′-hydroxybutan-2′-yl 2-hydroxypropanoate
SMILES: O=C(OC(C(O)C)C)[C@@H](O)C
Compound: Penicixanthene C
SMILES: O=C(C1=C2OC3=C(C(O)=CC=C3)[C@H](C2=CC=C1O)C[C@H](O)C)CCC
Compound: Tricycloalternarene A
SMILES: O=C1C2=C(O[C@]3(CC=C([C@H]3C2)C(CCC(=O)O)C)C)CC[C@@H]1O
Compound: Trichodermide B
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)N[C@H](CO)CC(C)C)CCC2)(C)C)CC(C)C)[C@H](CC)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)[C@H](CC)C)C(C)C)(C)C
Compound: Anthracimycin B
SMILES: O=C1O[C@@H](C=CC=C[C@H](C)[C@@H]2[C@H](C(=CC(C1)=O)O)[C@@H]3[C@H](CC(C)=CC3)C=C2)C
Compound: 2',3'-epoxy-13-hydroxy-4'-oxomacrophorin A
SMILES: O=C1[C@@]2(O[C@@H]2C(=O)[C@]3([C@@H]1O3)C[C@H]4C(=C)CC[C@@H]5[C@@]4(CCC[C@]5(CO)C)C)CO
Compound: Chrysotrione A
SMILES: O=C1C(=C(O)C=C1)C(=O)CCCCCCCCC=C
Compound: Penicixanthene D
SMILES: O=C(C1=C(O)C(=CC=C1O)[C@@H]2C3=C(OC)C=CC=C3[C@H](O)CC2)CCC
Compound: 12-epi-fisherindole U isothiocyanate
SMILES: S=C=N[C@H]1[C@](C=C)(CC[C@H]2[C@H]1C=3C4=C(C=CC=C4)NC3C2(C)C)C
Compound: Asperteretal G1
SMILES: O=C(OC)[C@H](C1=CC=C(O)C=C1)[C@H](C(=O)O)CC2=CC(=C(O)C=C2)CC=C(C)C
Compound: Trichodermide C
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)N[C@@H](C(C)C)CO)CCC2)(C)C)CC(C)C)[C@H](CC)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)C)(CC)C)CCC(=O)N)[C@H](CC)C)C(C)C)(C)C
Compound: Xestodecalactone C
SMILES: O=C1OC(C[C@@H](O)CC(C2=C(C1)C=C(O)C=C2O)=O)C
Compound: Curindolizine
SMILES: O1[C@@]2(C=CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=C(C=C5[C@H]24)[C@H]6C=CC7=CC=C(N7[C@@H]6C)C)C)C)[C@@H](O)C
Compound: Isoconiolactone
SMILES: O=C1OC=2C(O)=CC(=C3C2C1=C(O)C=C3C)OCC=C(C)C
Compound: (-)-9-hydroxyhexylitaconic acid
SMILES: O=C(O)C(=C)C(C(=O)O)CCCCC(O)C
Compound: Engyodontiumone I
SMILES: O=C(O)C1=CC(O)=C(/C(=C/CCC(O)(C)C)/C)C=C1
Compound: Asperteretal G2
SMILES: O=C(OC)[C@H](C1=CC=C(O)C=C1)[C@@H](C(=O)O)CC2=CC(=C(O)C=C2)CC=C(C)C
Compound: Inonotsuoxide A
SMILES: O1C([C@@H](O)C[C@@H]1[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)(C)C
Compound: Trichodermide D
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)N[C@@H](C(C)C)CO)CCC2)(C)C)CC(C)C)[C@H](CC)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)[C@H](CC)C)C(C)C)(C)C
Compound: (-)-peniciphenalenin F
SMILES: O=C1OC=2C(O)=C3C([C@H](C)OC3=C4C2C1=C(O)C=C4C)(C)C
Compound: 3-O-acetylhomobotcinolide
SMILES: O=C1O[C@H]([C@H](OC(=O)C=CC(O)CCCCCC)[C@@H](C)[C@@H]([C@]([C@@H]([C@H]1C)OC(=O)C)(O)C)O)C
Compound: Asperteretal H
SMILES: O=C(OC)[C@H](O)[C@H](C1=CC=C(O)C=C1)C(=O)CC2=CC(=C(O)C=C2)CC=C(C)C
Compound: (+)-6-O-demethylpestalotiopsin A
SMILES: O=C(O[C@@H]1[C@]23O[C@@H](O)[C@@H]([C@H]2CC3(C)C)[C@@H](O)[C@@H](C=C(C1)C)O)C
Compound: Perenniporide C
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@]3(O)C[C@@H](O[C@@]3(C1)OC)C(=O)OC)CC
Compound: Trichodermide E
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N2[C@H](C(=O)N[C@@H](C(C)C)CO)CCC2)(C)C)CC(C)C)[C@H](CC)C)CCC1)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)C)(CC)C)CCC(=O)N)C(C)C)C(C)C)(C)C
Compound: (+)-8-hydroxyscleroderolide
SMILES: O=C1C(O)=C2OC(O)=C(O)C3=C2C(=C1C)C=4O[C@H](C)C(C4C3=O)(C)C
Compound: Hericerin
SMILES: O=C1N(CC=2C1=C(O)C(=C(OC)C2)C/C=C(/CCC=C(C)C)\C)CCC3=CC=CC=C3
Compound: Echinolactone A
SMILES: O=C1OCCC2=C1C=C3C(=O)C(C)(C)CC3=C2C
Compound: Aspewentin I
SMILES: O=C1C2=C([C@]3(O)CCCC(C3=C1)(C)C)CC[C@@]([C@H]2O)(C=C)C
Compound: EI-1941-3
SMILES: O=C1OC(CC2=C1C(O)C(O)CC2=O)CCC
Compound: Allianthrone A
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C[C@H](O)C)C=C3[C@@H](C2C=C1OC)[C@H]4C5=C(C(=O)C6=C4C=C(C[C@@H](O)C)C=C6O)C(O)=C(Cl)C(=C5)OC
Compound: Dermacozine J
SMILES: S(C1=C2NC3=C(C=C(C(=O)C4=CC=CC=C4)C=C3C(=O)N)N(C2=C(C(=O)N)C=C1)C)C[C@H](NC(=O)C)C(=O)O
Compound: (+)-8-hydroxysclerodin
SMILES: O=C1C(O)=C(C=2C=3O[C@H](C)C(C3C(C=4C2C1=C(OC4O)O)=O)(C)C)C
Compound: (E)-3-hydroxy-2,4-dimethylhept-4-enamide
SMILES: O=C(N)C(C(O)/C(=C/CC)/C)C
Compound: Aspewentin J
SMILES: O=C1C2=C([C@]3(O)CCCC(C3=C1)(C)C)CC[C@@]([C@@H]2O)(C=C)C
Compound: Sydonol
SMILES: OC1=C(C=CC(=C1)CO)[C@@](O)(CCCC(C)C)C
Compound: Allianthrone B
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C[C@@H](O)C)C=C3[C@H](C2C=C1OC)[C@H]4C5=C(C(=O)C6=C4C=C(C[C@@H](O)C)C=C6O)C(O)=C(Cl)C(=C5)OC
Compound: Enhypyrazinone A
SMILES: O=C1NC(=C(/C=C/C2=CC=CC=C2)N=C1C(C)C)CC=3C4=C(C=CC=C4)NC3
Compound: WS1279
SMILES: S(CC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)O)CO)CO)CC(=O)N)CC(CC(=O)CCCCCCCCCCCCCCC)CCC(=O)CCCCCCCCCCCCCCC
Compound: Myrothecine A
SMILES: O=C1OC[C@@]23C4(C5(O)[C@H](OC2[C@@H]([C@](O)(C)CC3)C5)C[C@H]4OC(=O)C=CCC[C@]6([C@@H](C(=C1)CCO6)O)C(=O)C)C
Compound: Aspewentin K
SMILES: O=C1C2=C([C@@]3(O)CCCC(C3=C1)(C)C)CC[C@@]([C@@H]2O)(C=C)C
Compound: Arsindoline B
SMILES: O=C(OCC(C=1C2=C(C=CC=C2)NC1)C=3C4=C(C=CC=C4)NC3)CCC
Compound: Allianthrone C
SMILES: ClC1=C(O)C=2C(=O)C3=C(O)C=C(C[C@@H](O)C)C=C3[C@@H](C2C=C1OC)[C@@H]4C5=C(C(=O)C6=C4C=C(C[C@@H](O)C)C=C6O)C(O)=C(Cl)C(=C5)OC
Compound: [(1R,2R,3R,4R,5S)-2-[7-[(3R,3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-triacetyloxyoctoxy]-3-acetamido-4,5-diacetyloxy-1-hydroxycyclopentyl]methyl acetate
SMILES: O=C(O[C@@H]1[C@](O)([C@H](OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)CCC([C@@H]2[C@H]3[C@]([C@@H]4[C@@]([C@]5([C@@H]([C@@]6([C@H](C(C[C@H](C6)C)(C)C)CC5)C)CC4)C)(C)CC3)(C)CC2)C)[C@@H]([C@H]1OC(=O)C)NC(=O)C)COC(=O)C)C
Compound: Enhypyrazinone B
SMILES: O=C1NC(=C(/C=C\C2=CC=CC=C2)N=C1C(C)C)CC=3C4=C(C=CC=C4)NC3
Compound: Aspewentin L
SMILES: O=C1C2=C([C@@]3(O)CCCC(C3=C1)(C)C)CC[C@@]([C@H]2O)(C=C)C
Compound: Bromorebeccamycin
SMILES: BrC1=C2N(C=3C=4NC=5C(Br)=CC=CC5C4C6=C(C3C2=CC=C1)C(=O)NC6=O)C7OC(C(OC)C(C7O)O)CO
Compound: Inonotin A
SMILES: O=C1[C@@](O)([C@H]2[C@H]([C@@H](C)CC2)[C@@H]3[C@H](C1)C3(C)C)C
Compound: Penicilindole A
SMILES: O[C@]1([C@H]([C@]2([C@@]([C@@H](CC[C@@H]2O)C)(C)CC1)CCC=C(C)C)CC=3C4=C(C=CC=C4)NC3)C
Compound: Penicifuran D
SMILES: O=C(C=1C2=C(C(O)=CC(=C2)O)OC1)C
Compound: Peniciversiol A
SMILES: O=C1C=CO[C@@]2([C@]1([C@@H]3C(=C[C@@H](CO)C[C@@H]3O)C=C2)C)C
Compound: (1R)-(3-formylphenyl)-1,2-ethanediol
SMILES: O=CC1=CC(=CC=C1)[C@@H](O)CO
Compound: Aspewentin M
SMILES: O=C1C2=C([C@@]3(O)CCCC(C3=C1)(C)C)CC[C@@]([C@@H]2OC)(C=C)C
Compound: Heptemerone B
SMILES: O=C1[C@H](OC(=O)C)[C@H](C(C)C)[C@@]2([C@H]1[C@H]3OCC4=C3[C@](CC[C@@H]4OC(=O)C)(C)CC2)C
Compound: Penicilindole B
SMILES: O=C1[C@@]2([C@]([C@H](C)CC1)(CC[C@]([C@H]2CC=3C4=C(C=CC=C4)NC3)(O)C)C)CCC=C(C)C
Compound: Endophenazine E
SMILES: O=C(O[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)C=2C3=NC=4C(=CC=CC4)N=C3C=CC2
Compound: Peniciversiol B
SMILES: O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C
Compound: Cladosporiumin I
SMILES: O=C/1N[C@H](C(C)C)C(\C1=C\2/O[C@H](CC=C2)C)=O
Compound: 8(E)-decene-4,6-diyn-1,2,10-triol
SMILES: O[C@H](CO)CC#CC#C/C=C/CO
Compound: Penicilindole C
SMILES: O1[C@@H]2[C@@]3([C@]([C@H](C)CC2)(CC[C@]([C@H]3CC=4C5=C(C=CC=C5)NC4)(O)C)C)C[C@H]1C=C(C)C
Compound: Odyverdiene B
SMILES: O[C@@]1([C@H]2[C@H]3[C@H]4[C@](CC[C@H]3[C@@H](C)CC2)(CCC[C@@]4(C1)C)C)C
Compound: Peniciversiol C
SMILES: O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C3)C)C)C
Compound: Curvulone B
SMILES: O=C(OC)CC1=C(C(O)=CC(=C1)O)C(=O)C[C@@H]2O[C@@H](CCC2)C
Compound: A-90289 B
SMILES: S(=O)(=O)(OC1C(OC(C1O)C(OC2OC(CN)C(C2O)O)C3N(CC(OC(=O)CC(OC(=O)CC(CC(=O)OC4OC(C(OC)C(C4OC)OC)C)C)CCCCCCCCCCC(C)C)C(N(C3=O)C)C(=O)O)C)N5C(=O)NC(=O)C=C5)O
Compound: Cladosporiumin J
SMILES: O=C1C=2C(=O)NC(C2O[C@@H](C1)CC(O)C)=C(C)C
Compound: Acetomycin
SMILES: O=C1O[C@@H](OC(=O)C)[C@H]([C@]1(C(=O)C)C)C
Compound: Saroclide A
SMILES: O=C1N2[C@H](C(=O)O[C@@H](CC=C(C(CC(N[C@@H]1CC3=CC=CC=C3)=O)=O)C)CCC)CCC2
Compound: 10-Hydroxy-18-methoxybetaenone
SMILES: O=C1[C@]2(O)[C@@H]([C@@](C(=O)/C=C/OC)(C)[C@H]([C@@]1(O)C)[C@H](CC)C)[C@@H](C[C@](C2)(O)C)C
Compound: Penicilactone B
SMILES: O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O
Compound: Epicoccin B
SMILES: S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](O)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O
Compound: Cladosporiumin K
SMILES: O=C1C=2C(=O)NC(C2O[C@H](C1)CC(O)C)=C(C)C
Compound: 13-Hydroxy-4-methoxymelleolide
SMILES: O=C(O[C@H]1[C@@]2(OC)C(=C[C@]3(O)C[C@H](CC3[C@@]2(C)C1)C)C=O)C4=C(O)C=C(O)C=C4C
Compound: Saroclide B
SMILES: O=C1N2[C@@H](C(=O)O[C@@H](CC=C(C(CC(N[C@@H]1CC3=CC=CC=C3)=O)=O)C)CCC)CCC2
Compound: Thalabetaospiramide D
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/C=C\CCCCCC)CC2=CC=CC=C2)C(C)C)CC3=CC=C(O)C=C3)C)C(C)C
Compound: (+/-)-tetrodotoxin
SMILES: O1[C@]2(O[C@@H]3[C@@H]4[C@@H](O)N=C(N[C@@]4([C@@H]2O)C([C@H]1[C@]3(O)CO)O)N)O
Compound: Penifulvin A
SMILES: O=C1O[C@H]2OC(=O)[C@H]3[C@]24[C@@H](CC3)C(C[C@@]4(C1)C)(C)C
Compound: Xylariolide A
SMILES: O=C1O[C@](C(O)C(CC)C)(C)[C@@H]([C@@H]1C)O
Compound: Cladosporiumin L
SMILES: O=C1N[C@H](C(C)C)C(=C1C(=O)CC(O)CC(O)C)O.O=C1N[C@H](C(C)C)C(=C1C(=O)CC(O)CC(O)C)O.O=C1N[C@H](C(C)C)C(=C1C(=O)CC(O)CC(O)C)O.[H-]
Compound: Dothideopyrone E
SMILES: O=C1OC(=CC(=C1CO)OC)[C@@H](O)CCCCCC[C@H](O)C
Compound: Actinotetraose L
SMILES: O=C(O[C@H]1[C@H](OC(=O)/C(=C/C)/CC)[C@H](O[C@H]([C@@H]1O)O[C@H]2[C@H](O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]2O)O)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O[C@@H]4O[C@@H]([C@@H](OC(=O)/C(=C/C)/C)[C@@H]([C@H]4O)OC(=O)/C(=C/C)/C)CO)O)COC(=O)/C(=C/C)/C)CO)/C(=C/C)/CC
Compound: NF00659A2
SMILES: O=C1OC(=C(C)C(=C1CC2C(=C)C(O)CC3C2(CCC4C3(CCC(OC(=O)/C=C/C=C/C=C/C(CC)C)C(O4)(C)C)C)C)O)C
Compound: Corymbiferan lactone D
SMILES: O=C1OCC=2C(OC)=CC(=C3C2C1=C(OC)C=C3C)O
Compound: 5-hydroxy-2-methoxy-6,7-dimethyl-1,4-naphthoquinone
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C(C)C(=C2O)C
Compound: Cladosporiumin M
SMILES: O=C1NC(=C(C)C)C(=C1C(=O)/C=C/C=C/C)O
Compound: Dothideopyrone F
SMILES: O=C1OC(=CC(=C1CO)OC)[C@@H](O)CCCCCCCC
Compound: Spiromastol C
SMILES: ClC1=C(OC)C(OC2=C(Cl)C(O)=C(Cl)C(=C2)CCC)=C(CCC)C(=C1O)Cl
Compound: Sclerotiamide
SMILES: O=C1N2[C@@]3(C(=O)N[C@]14[C@@H](O)[C@@]5(C(=O)NC6=C5C=CC7=C6C=CC(O7)(C)C)C([C@@H]4C3)(C)C)CCC2
Compound: Phenylnannolone A
SMILES: O=C1OC(=CC=C1)/C=C/C(=C/C=C/C2=CC=CC=C2)/CC
Compound: 8-O-methylnodulisporin F
SMILES: O=C(C1=C(O)C(=CC=C1O)[C@@H]2C3=C(O[C@H](C2)C)C=CC=C3OC)CCC
Compound: Cladosporiumin N
SMILES: O=C/1N[C@H](C(C)C)C(\C1=C(\O)/C=C/CC(O)C)=O
Compound: somaliensene A
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2
Compound: N'-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-N'-hydroxy-N-[5-[hydroxy-(2-phenylacetyl)amino]pentyl]butanediamide
SMILES: O=C1N(C(=O)CC1)CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CC2=CC=CC=C2
Compound: Cryptophycin-26
SMILES: ClC1=C(OC)C=CC(=C1)C[C@H]2NC(=O)C[C@H](OC(=O)[C@H](CC(C)C)OC([C@@H](CNC2=O)C)=O)C[C@H](O)[C@@H](/C=C/C3=CC=CC=C3)C
Compound: 6-hydroxy-6-isopropylcyclohex-1-enecarboxylic acid
SMILES: O=C(O)C1=CCCC[C@]1(O)C(C)C
Compound: Nodulisporin H
SMILES: O=C(C1=C(O)C(=CC=C1O)[C@@H]2C3=C(O[C@@H](C2)C)C=CC=C3OC)CCC
Compound: Cladosporiumin O
SMILES: O=C1NC(=C(C)C)C(=C1C(=O)/C=C/C[C@H](O)C)O
Compound: (-)-somaliensene B
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=C)[C@H]1CCC(C)=CC1
Compound: Ustilipid F1
SMILES: O=C(O[C@@H]1[C@@H](O[C@H](CO)[C@H]([C@@H]1OC(=O)CCCCCCCCCCCCC)OC(=O)C)OC[C@@H](O)[C@@H](O)CO)C(C)C
Compound: Penicimutanin A
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(C(C=C)(C)C)C[C@H]2C(=O)N[C@H]1CC5=CC=CC=C5)[C@H]6OC7([C@H]8O[C@H]8C(O)(CC(=O)C)[C@@H]9[C@H]7O9)C[C@@H]6NC(=O)/C=C/C(CC(CCCCCC)C)C
Compound: (S)-2-methyl-2,3-dihydrobenzofuran-4-carboxylic acid
SMILES: O=C(O)C1=C2C(O[C@H](C2)C)=CC=C1
Compound: 5-hydroxy-2-methoxynaphtho[9–c]furan-1,4-dione
SMILES: O=C1C(OC)=CC(=O)C2=C1C=C3COCC3=C2O
Compound: Methyl-(2-chloro-l,6-dihydroxy-3-methylxanthone)-8-carboxylate
SMILES: ClC1=C(O)C2=C(OC3C=C(O)C=C(C3C2=O)C(=O)OC)C=C1C
Compound: Lathyroxin B
SMILES: OC1=CC=C(C[C@@H](O)CO)C=C1
Compound: Clitocybulol C
SMILES: O1[C@@]2(O)[C@](O)(C3=C(CC(C3)(C)C)[C@H]([C@@H]2O)C)C(C1)=C
Compound: 5-Dimethylallylindole-3-carboxylic acid
SMILES: O=C(O)C=1C2=C(C=CC(=C2)CC=C(C)C)NC1
Compound: 1,3,8-trimethoxynaphtho[9–c]furan
SMILES: O1CC2=C(OC)C3=C(OC)C=C(C=C3C=C2C1)OC
Compound: Furaquinocin B
SMILES: O=C1C(OC)=C(C(=O)C2=C1C=C(O)C3=C2O[C@@H](C)[C@]3(C(O)C/C=C(/CO)\C)C)C
Compound: Methyl-(4-chloro-l,6-dihydroxy-3-methylxanthone)-8-carboxylate
SMILES: ClC1=C2OC3C=C(O)C=C(C3C(C2=C(O)C=C1C)=O)C(=O)OC
Compound: Lathyroxin A
SMILES: O(C(OC)[C@H](O)CC1=CC=C(O)C=C1)C
Compound: Dothiorelone J
SMILES: O=C(OCC)CC1=C(C(O)=CC(=C1)O)C(=O)CCCCCO
Compound: (E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate
SMILES: O=C(OC1=C(C(O)=C(C(=O)OC)C(=C1)C)C)C2=C(O)C(=C(O)C=C2C)/C=C/C(=O)C
Compound: Methyl-(4-chloro-6-hydroxy-1-methoxy-3-methylxanthone)-8-carboxylate
SMILES: ClC1=C2OC3C=C(O)C=C(C3C(C2=C(OC)C=C1C)=O)C(=O)OC
Compound: Dragocin A
SMILES: O1[C@@H]2O[C@](OC)(CO[C@@H]([C@@H]3[C@H]1[C@@H](O)CN3C)C4=CC=C(OC)C=C4)[C@H]([C@H]2O)O
Compound: Striatoid D
SMILES: O1[C@H]2O[C@@H]3[C@]4([C@@H](C5=C(C(C)C)C[C@@H]([C@]5(C)CC4)O)CC=C6[C@H]3[C@@]2(O)[C@@H](O)[C@@](C1)(O)[C@@H]6O)C
Compound: Ypaoamide B
SMILES: O=C1N(C(=O)/C=C(/OC)\CCNC(=O)CCCCC(C)(C)C)[C@@H](CC(C)C)C=C1
Compound: Cedarmycin B
SMILES: O=C1OC[C@@H](C1=C)COC(=O)CCCCC
Compound: Pyrenocine E
SMILES: O=C1OC(=C(C(=O)C[C@@H](OC)C)C(=C1)OC)C
Compound: Methyl-(6-hydroxy-1-methoxy-3-methylxanthone)-8-carboxylate
SMILES: O=C1C2=C(OC3C1C(C(=O)OC)=CC(O)=C3)C=C(C)C=C2OC
Compound: Dragocin B
SMILES: Cl[C@@]12O[C@@H](O[C@@H]3[C@@H](O)CN[C@@H]3[C@H](OC1)C4=CC=C(OC)C=C4)[C@@H]([C@@H]2O)O
Compound: Ypaoamide C
SMILES: Cl/C=C(\CNC(=O)CCCCC(C)(C)C)/C/C(/OC)=C\C(=O)N1C(=O)C=C[C@@H]1C
Compound: Terezine A
SMILES: O=C1NC(=C(OC)N=C1C(C)C)[C@H](O)C2=CC=CC=C2
Compound: (2R,5R,6E,8S)-5,8-dihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILES: O=C1O[C@@H](CC[C@@H](O)C=C[C@H](C1)O)C
Compound: Spiroleptosphol
SMILES: O=C1OC(=C)[C@@H]([C@]12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/[C@@H](C[C@@H](CC)C)C)O
Compound: 4-chloro-1,6-dihydroxy-3-methylxanthone-8-carboxylic acid
SMILES: ClC1=C2OC3C=C(O)C=C(C3C(C2=C(O)C=C1C)=O)C(=O)O
Compound: Trichorenin A
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@@]4([C@H]1C[C@H](O)[C@@H]4OC)C
Compound: Arecoic acid C
SMILES: O=C(O)[C@@]1([C@H]2[C@@]([C@H](C(=C)[C@@H](C2)O)C(=O)O)(CCC1)C)C
Compound: Dragocin C
SMILES: Cl[C@@]12O[C@@H](O[C@@H]3[C@@H](O)CN([C@@H]3[C@H](OC1)C4=CC=C(OC)C=C4)C)[C@@H]([C@@H]2O)O
Compound: Xylaritriol
SMILES: O1[C@](C=C)(CC[C@@H]([C@]1(CC[C@H](O)C(O)(C)C)C)O)C
Compound: Karnatakafuran A
SMILES: O1C2=C(C(=C(C)C(=C2)O)CCC(O)(C)C)C3=C1C=C(C)C=C3O
Compound: 2,4-dichloro-1,6-dihydroxy-3-methylxanthone-8-carboxylic acid
SMILES: ClC1=C2OC3C=C(O)C=C(C3C(C2=C(O)C(=C1C)Cl)=O)C(=O)O
Compound: Trichorenin B
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@@]4([C@H]1C[C@H](O)[C@H]4OC)C
Compound: Dragocin D
SMILES: O(C1=CC=C([C@@H](O)[C@H]2N(C[C@@H]([C@H]2O)O)C)C=C1)C
Compound: Bk-1229
SMILES: O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(NC(CC(N[C@@H](C(NC1C(O)C2=CC=C(O)C=C2)=O)CO)=O)CC(O)C(O)C(O[C@H]3OC[C@H](O)[C@H]([C@@H]3O)O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CC(=O)N
Compound: Asperdiazapinone F
SMILES: O=C1N[C@H](C(=O)NC2=C1[C@H](CCC2=O)CC=C(C)C)CC=3C4=C(C(=C(O)C=C4)CC=C(C)C)NC3
Compound: Kobiin
SMILES: O[C@@H]1C=C(C=C[C@H]2[C@](CCC(CCC=C(C1)C)=C)(C[C@H]([C@@H]2C(C)C)O)C)CO
Compound: cordyol C-3-O-alpha-D-ribofuranoside
SMILES: O1[C@H](OC2=C(O)C(OC3=CC(O)=CC(=C3)C)=CC(=C2)C)[C@H](O)[C@@H]([C@H]1CO)O
Compound: Neosetophomone A
SMILES: O=C1C(O)=C[C@]23[C@]1(C(=CO2)C)C[C@H]4C[C@H](O)C(=CCC(C=CC[C@@]4(O3)C)(C)C)C
Compound: Trichorenin C
SMILES: O=C1C2=C(C=CC3=C2CCC3=O)[C@@]4([C@H]1C[C@@H](O)[C@@H]4OC)C
Compound: Kitamycin B
SMILES: O=C1O[C@H]([C@H](O)[C@@H](CCCC(C)C)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: Coprinol
SMILES: OC1=C(C(=C(C)C2=C1CC(C)(C)C2)CCO)C
Compound: Pestaloficiol E
SMILES: O=C1C2=C(OC(C1)(C)C)[C@@]3([C@@H](O)[C@H](C2)O)[C@H](C(OC)(C)C)C3
Compound: 4-methoxycarbonyl diorcinol-3-O-alpha-D-glucoside
SMILES: O=C(OC)C1=C(O)C=C(OC2=CC(O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)=CC(=C2)C)C=C1C
Compound: Neosetophomone B
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@@]3([C@H](C[C@H](O)C(=CCC(C=CC3)(C)C)C)C2)C
Compound: Guignardin A
SMILES: O=C1C2=C(O)C=CC=C2C3(OC=4C=5C(C=CC4)=CC=CC5O3)C[C@]1(O)CC(=O)C
Compound: Manumycin F
SMILES: O=C1C(NC(=O)/C=C/C=C/C=C/C2CCCCC2)=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC3=C(O)CCC3=O)C4C1O4
Compound: 12-epi-lycopodine
SMILES: O=C1[C@@H]2[C@]34N(CCC2)CCC[C@H]3[C@H](C1)C[C@H](C4)C
Compound: Aspergillusol A
SMILES: O=C(OC[C@H](O)[C@H](O)COC(=O)/C(=N/O)/CC1=CC=C(O)C=C1)/C(=N/O)/CC2=CC=C(O)C=C2
Compound: 2-(ethoxycarbonyl)-4'-carboxydiorcinal
SMILES: O=C(OCC)C1=C(OC2=CC(O)=C(C(=O)O)C(=C2)C)C=C(O)C=C1C
Compound: Dehydroxynoreupenifeldin
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@]3([C@@H](CC[C@@]4(OC=5C(=C(C=C(C(C5)=O)O)C)C[C@@H]4CC(C=CC3)(C)C)C)C2)C
Compound: (E)-(4,5-bis(heptadecanoyloxy)-6-(2-(heptadecanoyloxy)-3-(hexadec-9-enoyloxy)propoxy)-3-hydroxytetrahydro-2H-pyran-2-yl)methanesulfonic acid
SMILES: S(=O)(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCC)C(OC(=O)CCCCCCCCCCCCCCCC)C(C1O)OC(=O)CCCCCCCCCCCCCCCC
Compound: Periconiasin H
SMILES: S(=O)([C@@H]1CC(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3CC(=CC1)C)C)CC(C)C)CC(O)C(=O)OCC
Compound: Rugulotrosin B
SMILES: O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@]6(C(=O)OC)OC5C=C4C)O)=C(C)C=C3O)O[C@@]2(C(=O)OC)[C@H](O)CC1
Compound: Peyronellone A
SMILES: O=C1O[C@]2(O[C@H]3C[C@]1(O)[C@@]2(C4=C3C(O)=C(C)C(=C4)O)C)[C@@H](CC)C
Compound: 7-ethyldiorcinol
SMILES: O(C1=CC(O)=CC(=C1)CC)C2=CC(O)=CC(=C2)C
Compound: Noreupenifeldin B
SMILES: O=C1C(O)=CC(C)=C2C(=C1)O[C@]3([C@@H](CC[C@@]4(OC5=C(C(=CC(=C5)O)C)C[C@@H]4CC(C=CC3)(C)C)C)C2)C
Compound: Dihydrophomopsolide B
SMILES: O=C1OC(C(OC(=O)/C(=C/C)/C)C=C1)CCC(O)C(O)C
Compound: Peyronellone B
SMILES: O=C1O[C@]2(O[C@@H]3C[C@@]1(O)[C@]2(C4=C3C(O)=C(C)C(=C4)O)C)[C@@H](CC)C
Compound: Cladobotrin V
SMILES: O=C1OC(=C(CO)C(=C1)OC)/C=C/C
Compound: 3-hydroxydiorcinol
SMILES: O(C1=CC(O)=C(O)C(=C1)C)C2=CC(O)=CC(=C2)C
Compound: 22-hydroxyramiferin
SMILES: O1C2=C(O)C(O)=CC(=C2C[C@H]3[C@]1(CC=CC(C[C@@H]4[C@](CC3)(OC5=C(C(=CC(=C5)O)C)C4)C)(C)C)C)C
Compound: 4-acetylchrysophanol
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C=CC3)C(=C(C)C=C2O)C(=O)C
Compound: Peyronellone C
SMILES: O=C1OC(=C(C)C=2C1=C(O)C(=C(O)C2)C)[C@@H](CCO)C
Compound: N-[(1S)-2-acetoxy-1-methoxy-methyl ethyl]-(4E,7S)-7-methoxy-4-eicosenamide
SMILES: O=C(N[C@H](COC(=O)C)COC)CC/C=C/C[C@@H](OC)CCCCCCCCCCCCC
Compound: 6-hydroxy-N-acetyl-beta-oxotryptamine
SMILES: O=C(C=1C2=C(C=C(O)C=C2)NC1)CNC(=O)C
Compound: Terretonin C
SMILES: O=C1C(O)=C2[C@@](CCC(C2(C)C)=O)(C)[C@@]3([C@@]1([C@@H]4C(=O)O[C@H](C)C([C@@]4(C)C(C3)=C)=O)C)O
Compound: Isopenicin A
SMILES: O=C1C(=C(C[C@H]([C@]2(C(=O)[C@@]3(C(=O)OC)[C@@]4([C@H]([C@@]5(C=O)[C@@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C=C([C@]3(C2=O)C)C)C)C)C)O[C@@]1(/C=C/C=C/CC)C)C(=O)OC
Compound: Pestalotiopsol A
SMILES: O[C@H](\C(=C/C=C/C)\CO)[C@@H](O)CCC
Compound: Aspergilone B
SMILES: O=C1C=2C(=C(C)C([C@]1(CC3=CC=CC=C3)C[C@@]4(C(=O)C=5C([C@H]([C@H](C)OC5)C)=C(C4=O)C)CC6=CC=CC=C6)=O)[C@H]([C@H](C)OC2)C
Compound: Peyronellone D
SMILES: O=C1OC(=C(C)C=2C1=C(O)C(=C(O)C2)C)[C@@H]([C@@H](O)C)C
Compound: Marformycin A
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@H](CC)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: Geospallin A
SMILES: S([C@@]1(N(C(=O)[C@@]2(OC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C=C[C@@H]3SC)O)C)CO)C
Compound: Isopenicin B
SMILES: O=C1C(=C(C[C@@H]([C@]2(C(=O)[C@@]3(C(=O)OC)[C@@]4([C@H]([C@@]5(C=O)[C@@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C=C([C@]3(C2=O)C)C)C)C)C)O[C@@]1(/C=C/C=C/CC)C)C(=O)OC
Compound: Microcyclamide GL582
SMILES: S1C2=NC(=C1)C(=O)N[C@@H](C=3SC=C(N3)C(=O)N[C@H](C4=NC(C(N[C@H]2[C@H](CC)C)=O)=C(O4)C)C)CC=5N(C=NC5)C
Compound: Peyronellone E
SMILES: O=C1OC(=C(C)C=2C1=C(O)C(=C(O)C2)C)[C@@H]([C@H](O)C)C
Compound: MM 4550
SMILES: S(=O)(=O)(OC(C1C(=O)N2C(C(=O)O)=C(CC12)S(=O)/C=C/NC(=O)C)C)O
Compound: Spirodihydrobenzofuranlactam III
SMILES: O=C1N(CC2=C1C=C3OC4(C5(C(C(C(O)CC5)(C)C)CCC4C)C)CC3=C2O)CCCCC(=O)O
Compound: Geospallin B
SMILES: S([C@@]1(N(C(=O)[C@@]2(O)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C=C[C@@H]3SC)O)C)CO)C
Compound: Isopenicin C
SMILES: O=C1[C@@]2(C(=O)OC)[C@@]3([C@@H](C=C([C@@]2(C)C([C@]1(CC4=C(C(O)=C(O)C(=C4)OC)C(=O)C)C)=O)C)[C@@]5(C=O)[C@@H](C([C@@H](OC(=O)C)CC5)(C)C)CC3)C
Compound: Alternethanoxin D
SMILES: O=C(C1=C(O)C2=C(O[C@H](O)C=3C2=C(O)C(O)=CC3OC)C(=C1)O)C
Compound: 3-methoxy-2,5-bis(2-methylpropyl)pyrazine
SMILES: O(C1=NC(=CN=C1CC(C)C)CC(C)C)C
Compound: Peyronellone F
SMILES: O=C1C=C2C(=C(OC[C@@]2(O)[C@H](C1)O)[C@@H](CC)C)C
Compound: Gymnastatin-A2
SMILES: ClC=1C(=O)C(Cl)=CC2(C1)O[C@H](O)[C@H](C2)NC(=O)/C=C/C(=C/[C@@H](CCCCCC)C)/C
Compound: Geospallin C
SMILES: S([C@@]1(N(C(=O)[C@]2(SC)C[C@@]3([C@H](N2C1=O)[C@@H](OC(=O)C)C(=O)C=C3)O)C)CO)C
Compound: Curtachalasin C
SMILES: O=C1N[C@H]([C@H]2C=3C=C4C(=C(O)[C@H](CC4=CC3[C@@H]([C@@]1([C@@H]2C)C)OC)C)C(=O)C)CC5=CC=CC=C5
Compound: GEX1Q1
SMILES: O=C(O)C[C@@H]1O[C@H](/C(=C/C=C/[C@H](C[C@]2(O[C@@H]2[C@@H]([C@@H](OC)[C@H](O)C)C)C)C)/C)[C@@H](C)C(C1)O
Compound: 2-deoxy-L-fucose-2-deoxy-L-fucose-2-deoxy-L-fucose-beta-rhodomycinone
SMILES: O=C1C2=C(O)C3=C([C@@H](O)[C@@](O)(CC)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)O)C)[C@H](C5)O)C)[C@H](C4)O)C)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: 6-deoxy-5a,6-didehydrogliotoxin
SMILES: S1S[C@]23N(C=4C=CC=CC4C2)C([C@@]1(N(C)C3=O)CO)=O
Compound: methyl botryolate
SMILES: O=C(OC)[C@@H]1[C@]2(O)[C@](CC([C@@H]2[C@@H](OC(=O)C)C[C@H]1C)(C)C)(CO)C
Compound: Asperpene A
SMILES: O=C(O)C1=C[C@H]2[C@H](C[C@@](C2)(C(=O)O)C)[C@@]3([C@H]1CC3)C
Compound: Curtachalasin D
SMILES: O=C1N[C@@H]([C@@H]2C=3C=C4C(=C(O)[C@H](CC4=CC3[C@H]([C@]1([C@H]2C)C)OC)C)C(=O)C)CC5=CC=CC=C5
Compound: Spirostaphylotrichin V
SMILES: O=C1C=C/C(=C/CC)/[C@]2([C@H]1O)C(=O)N(OC)[C@@]([C@@H]2O)(OC)C
Compound: L-cinerulose-2-deoxy-L-fucose-2-deoxy-L-fucose-beta-rhodomycinone
SMILES: O=C1C2=C(O)C3=C([C@@H](O)[C@@](O)(CC)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)CC6)C)[C@H](C5)O)C)[C@H](C4)O)C)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: Penicisteroid B
SMILES: O=C(O[C@@H]1[C@@H]([C@]2(C[C@H](O)[C@H]3[C@H]([C@@H]2C1)CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Compound: Curtachalasin E
SMILES: O=C1N[C@H]([C@H]2C=3C=C4[C@@H](O)[C@](O)(C(=O)C)[C@H](CC4=CC3[C@@H]([C@@]1([C@@H]2C)C)O)C)CC5=CC=CC=C5
Compound: Asperpene B
SMILES: O=C(O)C1=C[C@H]2[C@H](C[C@@](C2)(CO)C)[C@@]3([C@H]1CC3)C
Compound: Chaetophenol G
SMILES: O=C1O[C@H]([C@@]2(OC(=O)[C@@H](C2)O)C)C=3C1=C(O)C(=C(O)C3CC=C(C)C)C
Compound: Hygrophoron B14
SMILES: O=C1C=C[C@@H]([C@@]1(O)C(O)CCCCCCCCCCCCCC)O
Compound: L-cinerulose-2-deoxy-L-fucose-L-rhodinose-beta-rhodomycinone
SMILES: O=C1C2=C(O)C3=C([C@@H](O)[C@@](O)(CC)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H](C(=O)CC6)C)[C@H](C5)O)C)CC4)C)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: Brevianamide K
SMILES: O=C/1N2C(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)=CCC2
Compound: Hyaladione
SMILES: ClC1=C(N)C(=O)C=C(C1=O)SC
Compound: Minnamide A
SMILES: O=C(N([C@H](C(=O)N[C@H](CO)CC1=CC=C(OC)C=C1)CCC(=O)N)C)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)C[C@@H](O)C[C@H](C[C@H](O)C[C@H](C[C@H](O)C[C@H](C[C@H](O)CCC)C)C)C)CC(C)C)C)[C@H](CC)C)CO)CC(C)C)C)C(C)C)CO)C)C(C)C
Compound: Asperpene C
SMILES: O=C(O)[C@@]1(C[C@H]2C=C(CO)[C@H]3[C@@]([C@H]2C1)(CC3)C)C
Compound: Phelligridin I
SMILES: O=C1OC(=CC2=C1C3=C(C=C(O)C(=C3)O)C(O2)=O)/C=C/C4=C(C=5C(=O)OC(/C=C/C6=CC(O)=C(O)C=C6)=CC5O)C=C(O)C(=C4)O
Compound: L-rhodinose-L-rhodinose-L-rhodinose-epsilon-rhodomycinone
SMILES: O=C1C2=C(O)C3=C([C@@H](C(=O)OC)[C@@](O)(CC)C[C@@H]3O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)CC4)C)C(=C2C(=O)C=7C1=C(O)C=CC7)O
Compound: Milbemycin beta3
SMILES: O=C1OC2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C(C4=C1C=C(C)C(=C4)O)C)C)C)O[C@@H]([C@@H](C)CC3)C