MonarchInit/C3PO huggingface dataset:
Compound: Phosphonothrixin
SMILES: P(=O)(O)(O)C[C@](O)(C(=O)C)CO
Compound: Kutzneride 4
SMILES: ClC1=C(Cl)C=CC2=C1N[C@H]3N4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(N=CCC5)C([C@@H](OC([C@H](NC([C@@H]4C[C@@]23O)=O)C6(CC6)C)=O)C(C)(C)C)=O)COC)[C@H](O)CC(=O)O
Compound: Luminmycin C
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCCN)[C@H](O)C)/C=C/C=C/CCCCCCC
Compound: Dicitrinone C
SMILES: O=C1C=2C(=C(C)C(=C1CC3=C(O)C(=C4[C@@H]([C@@H](C)OC=C4C3=O)C)C)O)[C@@H]([C@@H](C)OC2)C
Compound: (S)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)succinic acid
SMILES: O=C1NC2=C(C=CC=C2)C(=C1)C(=O)N[C@H](C(=O)O)CC(=O)O
Compound: Hydroxyvermistatin
SMILES: O=C1C(O)=C(OC=C1[C@@H]2OC(=O)C=3C2=C(OC)C=C(OC)C3)/C=C/C
Compound: Secovironolide
SMILES: O=C1OC=C2[C@]13C(=O)C=4[C@H]5[C@]([C@@H](C(=O)C)CC5)(C)CCC4[C@]3(CC[C@@H]2O)C
Compound: Tricycloalternarene 11b
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCCC(CO)C)C)C)CCC1OC
Compound: Boydine D
SMILES: S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)[C@@H]([C@@H](O)[C@@H](C(=O)C(=CC)C)C)C)C=COC4)C=5C(O)=CC=CC5C2)C
Compound: Xenofuranone A
SMILES: O=C1O[C@@H](CC2=CC=CC=C2)C(=C1OC)C3=CC=CC=C3
Compound: Brasilamide L
SMILES: O=C(N)/C(=C/CC[C@@]12[C@H]3[C@](CC[C@H]1C3)(CO)OC2)/C
Compound: Phenylnannolone B
SMILES: O=C1OC(=CC=C1)/C=C/C(=C/C=C/C2=CC=CC=C2)/C
Compound: 6-deoxybikaverin
SMILES: O=C1C2=C(O)C=3C(=O)C=C(OC)C(C3C=C2OC4=C1C(=CC(=C4)OC)C)=O
Compound: [(1S,14S)-5-methyl-3,6-dioxo-4-sulanylidene-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
SMILES: S=C1N(C(=O)C2=CC=3[C@H](N2C1=O)[C@@H](OC(=O)C4=CC(OC5=C(OC)C=CC(=C5)C=O)=C(OC)C=C4)C=COC3)C
Compound: Ganoderique acid V
SMILES: O=C1C(C2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/C(=O)O)\C)C)C[C@@H]4OC(=O)C)(C)CC3)C)[C@@H](C2)O)(C)CC1)(C)C
Compound: Cytochalasin R1
SMILES: O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)C=C[C@](O)(C[C@H](CC=C[C@H]4[C@H](O)[C@@](O)(C)[C@H]3C)C)C
Compound: 19-[(1′ S,4′ R)-4′-hydroxy-1′-methoxy-2′-oxopentyl]geldanamycin
SMILES: O=C1NC=2C(=O)C(=C(OC)C(C2[C@H](OC)C(=O)C[C@H](O)C)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Inonotin H
SMILES: O[C@]1([C@H]2[C@H]([C@@H](C)CC2)[C@H]3[C@@](CO)(C)[C@H]3CC1)C
Compound: Chrysospermin B
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC=2C3=C(C=CC=C3)NC2)CCC(=O)N)(C)C)(C)C)(CC)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC4=CC=CC=C4)(C)C)CO)(C)C)(C)C)CC(C)C)CCC(=O)N)(C)C)(C)C)C)C)(C)C
Compound: Glioperazine C
SMILES: O=C1N[C@@H](C(=O)N[C@@H]1C(O)C)CC=2C3=C(C=CC=C3)NC2
Compound: 4-phenanthrol
SMILES: Oc1cccc2ccc3ccccc3c12
Compound: Scabronine K
SMILES: O=C1[C@]2([C@@H](C3=C([C@H](CO)C)CC[C@]3(CO)CC2)CC=C(C1)C=O)C
Compound: Trichorovin-Xa
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(CO)CC(C)C)CCC2)(C)C)CC(C)C)CC(C)C)CCC1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)(C)C)CCC(=O)N)CC(C)C)C(C)C)(C)C
Compound: Maristachone A
SMILES: O(C1=C(C(=CC(=C1C)O)[C@@H](O)C)COC)C
Compound: Virescenoside R3
SMILES: O1[C@@H](OC[C@]2([C@@H](O)[C@H](O)C[C@]3([C@H]2CC=C4[C@@]3(CC[C@@](C4)(C=C)C)C)C)C)[C@@H](O)[C@H](O)[C@@H]([C@H]1CO[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)O
Compound: 2,3,6,8-tetrahydroxy-1-methylxanthone
SMILES: O=C1C2=C(OC3=C1C(=C(O)C(=C3)O)C)C=C(O)C=C2O
Compound: 3,6-disubstituted indole 2
SMILES: O/N=C/CC=1C2=C(C=C(CC=C(C)C)C=C2)NC1
Compound: (12beta,15beta,22R,23S,24S)-22,25-epoxy-12,15,23-trihydroxyergost-4,6,8(14)-trien-3-one
SMILES: O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H]([C@H]5OC(C)(C)[C@H]([C@@H]5O)C)C)C[C@H]4O)(C)[C@@H](C[C@@H]3[C@@]2(C)CC1)O
Compound: 12b-acetoxy-3b-hydroxy-7,11,15,23-tetraoxo-lanost-8,20E-diene-26-oic acid
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)/C(=C/C(=O)CC(C(=O)O)C)/C)C
Compound: 1-Hydroxyauramycin T
SMILES: O=C1C2=C(C(=O)C=3C1=C(O)C4=C([C@@H](C(=O)OC)[C@](O)(C)C[C@@H]4O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)N(C)C)C)C3)C(O)=CC=C2O
Compound: 1,4-diacetyl-2,5-dibenzylpiperazine 3,7"-oxide
SMILES: O=C(N1C([C@@H]2OC([C@@H](C1)N2C(=O)C)C3=CC=CC=C3)CC4=CC(OC)=C5OCOC5=C4)C
Compound: 4-phenanthryl sulfate
SMILES: [O-]S(=O)(=O)Oc1cccc2ccc3ccccc3c12
Compound: Curtisian N
SMILES: O=C(OC1=C(O)C(=C(OC(=O)C)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)C[C@@H](OC(=O)C)C
Compound: Anishidiol
SMILES: O=CC1=C(O)C(=C(O)C2=C1C=C(C)OC2)C
Compound: Novaezelandin A
SMILES: O=C1OC(=C(C/C=C/C)C(=C1)OC)C
Compound: LP237-F7
SMILES: O=C(N1[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)C)CCC(=O)N)(C)C)(C)C)CCC(=O)N)CCC(=O)N)(C)C)CC2=CC=CC=C2)CCC1)C(NC(=O)CCCCCCCCC)(C)C
Compound: N-Hydroxy-staurosporine terminal acetate
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)N(OCOC(=O)C)C)C)C8=C3C=CC=C8
Compound: Monascusone A
SMILES: O=C1C2=C(C=C(C[C@@H](O)C)OC2)C[C@@H]([C@]1(O)C)O
Compound: Astellolide H
SMILES: O=C1OCC2=C1C[C@@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]4[C@@]2(CCC[C@@]4(CO)C)C
Compound: Streptophenazine K
SMILES: O=C(OC)C=1C2=NC=3C(=C(C=CC3)[C@@H](O)[C@H](C(=O)OC)CCCCCCC(C)C)N=C2C=CC1
Compound: 3,4,3',4'-Tetrahydro-bisanhydrobacterioruberin
SMILES: OC(C(CC=C(C)C)CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC(C(O)(C)C)CC=C(C)C)\C)\C)\C)/C)/C)/C)(C)C
Compound: Dechloro-balhimycin V
SMILES: O=C1N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C=3C(C=4C=C2C=CC4O)=C(O)C=C(O)C3)[C@H](O[C@@H]5O[C@H](C(=O)[C@](C5)(N)C)C)C6=CC=C(OC7=CC=8[C@H]1NC(=O)C(NC(=O)[C@H](NC(=O)[C@H](NC)CC(C)C)[C@H](O)C9=CC=C(OC(C8)=C7O[C@@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O[C@@H]%11O[C@H](C(=O)[C@](C%11)(N)C)C)O)CO)C=C9)CC(=O)N)C=C6
Compound: Inonotsuoxodiol A
SMILES: O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H]([C@H](O)CC=C(C)C)C)C)CC[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Compound: Diepoxin delta
SMILES: O=C1[C@]23O[C@@]2([C@@H](O)[C@@H](C1)O)[C@@H](O)[C@@H]4[C@H](C35OC=6C=7C(C=CC6)=CC=CC7O5)O4
Compound: (-)-neopestalotin E
SMILES: O=C1C(=C(C)O[C@]1(NC(=O)/C=C(/CCOC(=O)C)\C)C)C
Compound: Dihydroaflatoxin G1
SMILES: O=C1OC2=C(C(OC)=CC3=C2[C@@H]4[C@@H](OCC4)O3)C5=C1C(=O)OCC5
Compound: 11beta-hydroxy-3,7-dioxo-5alpha-lanosta-8,24(E)-dien-26-oic acid
SMILES: O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)[C@@H](O)C[C@]4([C@]2(CC[C@@H]4[C@@H](CC/C=C(/C(=O)O)\C)C)C)C
Compound: X-14889C
SMILES: O=C([C@@H]([C@H]1O[C@@]([C@@]2(O[C@]([C@H](O)C)(CC)C[C@H]2C)O)(C)C[C@@H]1C)CC)[C@H]([C@@H](O)[C@@H]([C@H]3O[C@](O)([C@H](C)C[C@@H]3C)CC(=O)O)C)C
Compound: 6,7-dihydroxy-2-propyl-2,4-octadien-4-olide
SMILES: O=C1O/C(=C\[C@@H](O)[C@@H](O)C)/C=C1CCC
Compound: Fusaquinon B
SMILES: O=C1C2=C(O)C=C(OC)C(=C2[C@@H](O)[C@H]3[C@H]1[C@@H](O)[C@H](O)[C@@](O)(C)C3)O
Compound: Bacillisporin D
SMILES: O=C1OCC2(O)C(=O)C=3[C@@]45C=6C(C(=O)OC4)=C(O)C=C(C6C([C@H](C3C7=C2C1=C(O)C=C7C)C5O)=O)C
Compound: JU-2
SMILES: P(=O)(OCC1OC(OC2C(O)C(O)C(OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC2CO)C(O)C(C1O)O)(O)N[C@H](C(=O)N[C@H](C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4
Compound: Dapdiamide D
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CN)/C=C/C(=O)N
Compound: Nosokomycin C
SMILES: P(=O)(O[C@H]1O[C@H](C(=O)N)[C@](O)(C)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]4O)O)[C@@H]([C@H]3NC(=O)C)O)C)[C@@H]([C@H]2NC(=O)C)O)CO)OC(=O)N)(OC[C@@H](OC/C=C(\C/C=C/CC(CCC(=C)C/C=C(/CCC=C(C)C)\C)(C)C)/C)C(=O)O)O
Compound: Aspergione C
SMILES: O=C1C2=C(OC(=C1C)C)C3=C(C=C(C)O[C@@H]3OC)C=C2
Compound: Saponaceolide J
SMILES: O=C1OCCC1=CC[C@H]2C(=C)CC[C@H](C2(C)C)CC=C3CO[C@]4(O[C@]5(O)C(C)(C)O[C@]4(CC5)C)CC3
Compound: Chaetomugilide B
SMILES: ClC1=C2C(C3=C(C(=O)C(=CC)C)C(O[C@@]3(C1=O)C)=O)=CN(CCO)C(=C2)C=C[C@H](CC)C
Compound: 2,5-dihydroxy-3-(1H-indol-3-ylmethyl)-6-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
SMILES: O=C1C(O)=C(C(=O)C(=C1CC=2C3=C(C=CC=C3)NC2CC=C(C)C)O)CC=4C5=C(C=CC=C5)NC4
Compound: Beauvericin C
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1CC2=CC=CC=C2)C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)[C@H](CC)C)CC4=CC=CC=C4)C)[C@H](CC)C
Compound: 6-[(4-hydroxy-3-methoxy-2-methyl-9H-carbazol-1-yl)methyl]-3-methoxy-1,2-dimethyl-9H-carbazol-4-ol
SMILES: O(C1=C(O)C2=C(NC3=C2C=CC=C3)C(=C1C)CC4=CC=5C6=C(O)C(OC)=C(C)C(=C6NC5C=C4)C)C
Compound: Dehydrocollatolic acid
SMILES: O=C1OC2=C(C3=C(C(=O)OC4(C3)OC(CCC4)C)C(=C2)O)OC5=C1C(=CC(=C5)OC)CC(=O)CCCCC
Compound: Perinadine A
SMILES: O=C(O)C1=C2O[C@H]3N(C(=O)C(C(=O)CCCC/C=C/C)C)CC[C@H]3[C@H]4C2=C([C@@H]([C@@H](C)O4)C)C(=C1O)C
Compound: Thiochondrilline B
SMILES: S(C[C@@H](N(C(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)C1=NC=2C(=CC=CC2)C=C1O)CSC)C)CSC)C)C(=O)OC)C
Compound: Speciosin G
SMILES: OC1=C(C#CC=C)C=C(O)C=C1
Compound: 7,4′-dihydroxyisoflavone-7-O-(4′′-O-methyl)-beta-D-glucopyranoside
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=CC(=C3)O[C@@H]4OC(C(OC)[C@H]([C@@H]4O)O)CO
Compound: Wailupemycin C
SMILES: O=C1OC(=CC(=C1)OC)[C@@H]2[C@@](O)(C[C@H]3C[C@@H]2C(=O)O3)CC(=O)C4=CC=CC=C4
Compound: desonide
SMILES: [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(C)O[C@@]12C(=O)CO
Compound: N-methyl-4-dimethylallyltryptophan
SMILES: O=C(O)[C@@H](NC)CC=1C2=C(C=CC=C2NC1)CC=C(C)C
Compound: Ramarin B
SMILES: O=C1C=C2[C@]([C@H](CCC2)C)(C)[C@@H]3[C@H]1[C@]3(CO)C
Compound: L-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH
SMILES: O=C(N[C@H](C(=O)O)C)C(N(C(=O)[C@H](NC(=O)[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC(C)C)CC(=O)OC)CCCN=C(N)N)/C=C/C(=C/[C@@H]([C@@H](OC)CC1=CC=CC=C1)C)/C)C)CCC(=O)O)C)=C
Compound: (2S,3R,4E,8E,9′Z,12′Z)-N-9′,12′-octadecadienoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO)CCCCCCC/C=C\C/C=C\CCCCC
Compound: Nostofungicidine
SMILES: O=C1N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(NC(CC(NCC(NC1CO)=O)=O)CCC(O)CCCCCCCCCCCC)=O)C(O)C(=O)N)C(O)C(=O)N)C(O)C3=CC=C(O)C=C3)CO)CC(C2)O
Compound: Xestodecalactone B
SMILES: O=C1OC(C[C@H](O)CC(C2=C(C1)C=C(O)C=C2O)=O)C
Compound: Penicifuran A
SMILES: O1C2=C(OC)C=C(O)C=C2C(=C1C)CO
Compound: Xentrivalpeptide B
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C)C(C)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C(C)C)=O)C(C)C)=O)CC3=CC=CC=C3)C
Compound: Neoantimycin E
SMILES: O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(N)=CC=C2)C(=O)O[C@H](C(O[C@@H]([C@@H](C1(C)C)O)CC3=CC=CC=C3)=O)C(C)C)C)C(C)C
Compound: (2S,2′R,3R,4E,8E)-N-2′-hydroxypentadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
SMILES: O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCCC)\C)CO)[C@H](O)CCCCCCCCCCCCC
Compound: Versicolin
SMILES: OC1=C(O)C=CC(=C1C)O
Compound: methyl 2-hydroxy-4-(2-hydroy-3-methoxy-5-methylphenoxy)-6-methylbenzoate
SMILES: O=C(OC)C1=C(O)C=C(OC2=C(O)C(OC)=CC(=C2)C)C=C1C
Compound: Fusaric acid methyl ester
SMILES: O=C(OC)C1=NC=C(CCCC)C=C1
Compound: Fradcarbazole C
SMILES: O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)[C@@H](C5)N(C#N)C)C)C8=C3C=CC=C8
Compound: Cyrneine B
SMILES: O=C1C=C(C(C)C)[C@@]2([C@]1(CC[C@@]3(C2=CC=C(C=O)C[C@@H]3O)C)C)O
Compound: Ustalic acid
SMILES: O=C(O)\C(\C1=CC=CC=C1)=C/2\OCO\C2=C(/C3=CC=CC=C3)\C(=O)O
Compound: (3S,4aS,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
SMILES: O=C1C2=C(C(=O)C3=C1[C@@]4(O)C(=O)C[C@](O)(C)C[C@@]4(O)CC3)C(O)=CC=C2
Compound: Bicytosporone D
SMILES: O=C1OC(C=2C(O)=C(O)C(=CC2C1C3C(=O)OC(CCCCCCC)C4=C3C=C(O)C(=C4O)O)O)CCCCCCC
Compound: 16alpha-acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@H](C(=O)O)CCC(=C)C(C)C)[C@@H](C4)OC(=O)C)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: Macrolactin O
SMILES: O=C1O[C@@H](CCCC=CCCC(=O)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)C
Compound: 2'-methoxy-3,1'-dihydroxy-beta,psi-caroten-4-one
SMILES: O=C1C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(OC)C(O)(C)C)\C)\C)\C)/C)/C)C(C)(C)CC1O)C
Compound: Yorophenzine
SMILES: S(C=1C2=NC=3C(=CC=CC3C(=O)O)N=C2C(C(=O)O)=CC1)C[C@@H](NC(=O)C)C(=O)OC
Compound: Polyporenic acid A
SMILES: O=C(O)[C@H](C(=C)CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C
Compound: (+)naseseazine A
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=C([C@@]56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@H](C)NC([C@@H]8C6)=O)C=C4)NC3)CCC2
Compound: 6-(4'-hydroxy-2'-methyl phenoxy)-(-)-(3R)-mellein
SMILES: O=C1O[C@@H](CC=2C1=C(O)C=C(OC3=C(C=C(O)C=C3)C)C2)C
Compound: 4-sulfonatobenzoate(2-)
SMILES: [O-]C(=O)c1ccc(cc1)S([O-])(=O)=O
Compound: Glycolipid G4
SMILES: O=C(O[C@H](CO[C@H]1O[C@@H]([C@@H](O)C([C@H]1O)O)CO)COCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
Compound: Annularin A
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@@H](O)CC
Compound: Trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
SMILES: O1C2=C(C=C(C(O)C)C=C2)[C@H](O)[C@H](C1(C)C)O
Compound: 3-[(2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]-N-(2-phenylethyl)propanamide
SMILES: O=C1N[C@@H](C(=O)N[C@H]1CC2=CC=CC=C2)CCC(=O)NCCC3=CC=CC=C3
Compound: methyl 2-(2,5-dibromo-3,4-dihydroxyphenyl)acetate
SMILES: BrC1=C(O)C(O)=C(Br)C=C1CC(=O)OC
Compound: (3S,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-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(OCC=C(C)C)C=C2)C
Compound: XR-333
SMILES: O=C/1N(/C(/C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)=C\C3=CC=CC=C3)C
Compound: Swalpamycin
SMILES: O=C1OC(C(C=CC=CC(=O)C(CC(C(C(C=C1)C)OC2OC(CC3(C2O)OC(=O)OC3C)C)C)C)COC4OC(C(O)C(C4OC)OC)C)C
Compound: Gloeophyllin D
SMILES: O=C1C2=C([C@]3(CC[C@@H]([C@]([C@@H]3C1)(C(=O)O)C)O)C)C[C@@H](OC(=O)C)[C@]4([C@H]2CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
Compound: Nodulisporic acid B
SMILES: O=C(O)/C(=C/C=C/[C@@]1([C@@H](O)CC[C@]2([C@H]1CC[C@@H]3[C@@]2(C=4N5C=6C(=C7[C@@H](O)[C@@H]8C(OC(C=C8C7=CC6C4C3)(C)C)(C)C)C[C@@H]5C(=C)C)C)C)C)/C
Compound: 3'-O-demethylpreubetaomerin I
SMILES: O=C1C2=C(O)C=CC3=C2[C@@]4(OC=5C=CC=C6C5[C@@](O3)([C@H](O)CC6=O)O4)[C@H]7[C@@H]1O7
Compound: Preubetaomerin A
SMILES: O1C2=C3C(=C(O)C=C2)[C@@H](O)[C@@H]4[C@H]([C@]35OC6=C7[C@]1(O5)C=C[C@@H](C7=CC=C6)O)O4
Compound: (1S,9R,12R,13S)-13-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
SMILES: O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(C=C[C@@H]4O)C)C)=O
Compound: 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione
SMILES: Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)OC1(C)C)=O)C
Compound: Tricycloalternarene 4b
SMILES: O=C1C2=C(OC3(CC=C(C3C2)C(CCC=C(C)C)C)C)CCC1OC
Compound: Salinosporamide D
SMILES: O=C1N[C@]2(C(=O)O[C@]2([C@H]1C)C)[C@@H](O)[C@@H]3C=CCCC3
Compound: Graphilide
SMILES: O=C1O[C@H](C(=O)O)CCCC=CCC=CC(C=C1)O
Compound: Maculalactone J
SMILES: O=C1O[C@]23[C@H](C4=CC=CC=C4)C[C@H]([C@@]([C@@]3([C@@]1(O[C@H]2C5=CC=CC=C5)CC6=CC=CC=C6)O)(O)C7=CC=CC=C7)O
Compound: Biscopyran
SMILES: O=C(/C(/OC)=C/C)[C@@H]1OC=2O[C@@H](C(C)=C(C2C(=C1C)C)C)C(=O)/C(/OC)=C/C
Compound: Asperterpenol A
SMILES: O[C@H]1[C@@]2([C@H]([C@H]3[C@](CCC(C3)(C)C)(C)CC2)CCC(=C4[C@@H]1[C@H](CC4)C)C)C
Compound: 3,4-dihydroxybenzenesulfonate
SMILES: Oc1ccc(cc1O)S([O-])(=O)=O
Compound: Truncateol B
SMILES: O1C([C@@H](O)C[C@]23[C@@H]1C[C@H](C#CC(=C)C)[C@H]([C@H]2O3)O)(C)C
Compound: Neocytochalasin
SMILES: O=C1[C@H](CC=C[C@H]2C=C(C)[C@H]([C@@H]3[C@@]2(C(CC[C@@H]1C)=O)C(=O)N[C@H]3CC4=CC=CC=C4)C)C
Compound: Nanaomycin C
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1[C@H](O[C@@H](C3)CC(=O)N)C
Compound: 3'-O-alpha-D-Forosaminyl-(+)-griseusin A
SMILES: O=C1C2=C(O)C=CC=C2C(=O)C3=C1C4(OC(CC(C4OC5OC(C(N(C)C)CC5)C)OC(=O)C)C)O[C@H]6[C@@H]3OC(=O)C6
Compound: Mycestericin A
SMILES: O=C(O)C(N)([C@@H](O)[C@H](O)C/C=C/CCCC/C=C/C(O)CCCCCC)CO
Compound: Saquayamycin J
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)(C)C4)O)[C@@H]7O[C@@H]([C@H]8O[C@@H]9O[C@@H](C)C(C[C@@H]9O[C@@H]8C7)=O)C
Compound: Brialmontin 1
SMILES: O=C(OC1=C(C(OC)=CC(=C1C)C)C)C2=C(OC)C(=C(OC)C(=C2C)C)C
Compound: Mollenine B
SMILES: O=C1N2[C@@H]3N(C=4C=CC=CC4[C@]3(CC=C(C)C)C[C@@H]2C(=O)O[C@@H]1CC(C)C)C=O
Compound: 5-N-acetylardeemin
SMILES: O=C1N2C(=NC3=C1C=CC=C3)[C@H]4N([C@@H]5N(C=6C=CC=CC6[C@@]5(C4)C(C=C)(C)C)C(=O)C)C([C@H]2C)=O
Compound: Sydoxanthone A
SMILES: S(C1=C(C=2C(=O)C3=C(C=C(COC(=O)C)C=C3O)OC2C=C1)C(=O)OC)C
Compound: (5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate
SMILES: [O-]C(=O)CC1(OC(=O)C=C1)S([O-])(=O)=O
Compound: Atacamycin A
SMILES: O=C1OC(/C=C/CC)CC=CC=CC(OC)C(O)C(O)C(C)C=CC(C(C=CC=C(C=C1)C)C)OC
Compound: Bicycloalternarene B
SMILES: O=C1C2=C(O[C@@H](C2)C(O)(CC/C=C(/CC[C@@H](O)C(O)(C)C)\C)C)CC[C@H]1O
Compound: 7-Hydroxy-4'-O-demethylsordarin
SMILES: O=C(O)C12C(=CC3C1(C[C@H]4[C@H](C2(C=O)C3)CC[C@@]4(O)C)COC5OC(C(O)C(C5O)O)C)C(C)C
Compound: Strophasterol C
SMILES: O=C1C2=C(C3(C4(CC(O)CC3)C(C2O)O4)C)CCC1(C5C(C(C(=O)C(C(C)C)C)CC5)C)C
Compound: Mycobacterium leprae ferritin
SMILES: S(CCC(N)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CCCN=C(N)N)CC(C)C)C(C)C)CC(=O)O)CCC1)CC(=O)O)CCC(=O)N)C
Compound: Hypogeamicin A
SMILES: S([C@@]12C(=O)C3=C(C(O)=CC(=C3)OC)C([C@@]1(O)[C@H](O[C@@H](C2)CC(=O)N)CCC)=O)[C@@]45C(=O)C6=C(C(O)=CC(=C6)OC)C([C@@]4(O)[C@H](O[C@@H](C5)CC(=O)N)CCC)=O
Compound: Botryendial
SMILES: O=C(O[C@@H]1[C@@H]2C(=C(C=O)[C@@H](C1)C)[C@](C=O)(C)CC2(C)C)C
Compound: Sch 54796
SMILES: S([C@@]1(NC(=O)[C@@H](SC)NC1=O)CC2=CC=C(OCC=C(C)C)C=C2)C
Compound: Hexagonin B
SMILES: O=C1OC2(O[C@H]3[C@@H]([C@]4(CCC5=C([C@@]4(C3)C)CCC6[C@@]5(CC[C@H](C6(C)C)O)C)C)[C@@H](C2)C)C(=C1C)C
Compound: Micropeptin EI964
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C2=O)O)CCCN=C(N)N)C
Compound: 4-thiouridine
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=S)[nH]c1=O
Compound: Phenethyl 5-oxo-L-prolinate
SMILES: O=C1N[C@H](C(=O)OCCC2=CC=CC=C2)CC1
Compound: Pestalafuranone C
SMILES: O=C1OCC(=C1CCC)CCC(=O)C
Compound: (11)-Cytochalasa-6,13,19-triene-1,21-dione-17-hydroxy-16,18-dimethyl-10-phenyl-(6Z, 13E,16S*,17R*,18S*,19E)
SMILES: O=C1C=C[C@H]([C@@H](O)[C@H](C)CC=C[C@H]2[C@]13C(=O)N[C@@H]([C@H]3[C@@H](C)C(=C2)C)CC4=CC=CC=C4)C
Compound: Fusarilactone A
SMILES: O=C1OC2=C(CO[C@]([C@H]2C)(OC)C)C(=C1)OC
Compound: Asperazine A
SMILES: O=C1N2[C@H]3NC=4C=CC=CC4[C@@]3(N5C6=C(C=CC=C6)C(=C5)C[C@@H]7NC(=O)[C@@H](CC8=CC=CC=C8)NC7=O)C[C@H]2C(=O)N[C@@H]1CC9=CC=CC=C9
Compound: anabaenopeptin DA850
SMILES: O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)C)C
Compound: (Z)-vermelhotin
SMILES: O=C/1NCC(\C1=C/2\OC=CC(=C2)/C=C/C)=O
Compound: Herbimycin E
SMILES: O=C1NC2=C(O)C(=CC(C2=O)=O)[C@H](OC)[C@H](C[C@H](OC)[C@H](OC)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Hirsutellone A
SMILES: O=C1[C@H]2[C@H](C=C[C@@H]3[C@@H]2[C@@H](OC4=CC=C(C[C@H]5[C@H]1C(=O)NC5=O)C=C4)[C@@H]6CC[C@H](C[C@@H]36)C)C=C
Compound: Merochlorin A
SMILES: Cl[C@]12C(=O)C3=C(O)C=C(O)C=C3[C@@]4(C1=O)CC(=C(C)C)C[C@H]4[C@@]2(CCC=C(C)C)C
Compound: Cycloclavine
SMILES: N1([C@H]2[C@]3(C4=C5C(=CC=C4)NC=C5C2)C[C@@]3(C1)C)C
Compound: Hormaomycin C
SMILES: ClC=1N(O)C(C(=O)N[C@H](C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(N[C@H](C(N4[C@H](C(O[C@@H]2C)=O)C[C@H](/C=C\C)C4)=O)[C@H](CC)C)=O)C[C@H]5[C@H]([N+](=O)[O-])C5)[C@@H](C6=CC=CC=C6)C)C[C@@H]7[C@@H]([N+](=O)[O-])C7)=CC1
Compound: 3-Hydroxycitronellic acid
SMILES: O=C(O)C[C@](O)(CCC=C(C)C)C
Compound: Alternariol 5-O-sulfate
SMILES: S(=O)(=O)(OC1=CC(O)=C2C(=O)OC3=C(C2=C1)C(=CC(=C3)O)C)O
Compound: Nocardichelin B
SMILES: O=C(N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)[C@H]1N=C(C2=C(O)C=CC=C2)OC1)/C=C\CCCCCCCCCCC
Compound: Cucurbitacin B linoleyl ester
SMILES: O=C1C(C2=CC[C@H]3[C@]4([C@](C(C(O)(C(=O)/C=C/C(OC(=O)C)(C)C)C)[C@@H](C4)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)CC([C@]3([C@@H]2C[C@@H]1O)C)=O)C)(C)C
Compound: Threo-L-2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-3-hydroxybutanoic acid
SMILES: O=C(O[C@H](C(=O)O)[C@H](O)C)C1=C(O)C=C(O)C=C1C
Compound: Vaccinol G
SMILES: O=CC1=C(O)C=CC(=C1C=C[C@@H](O)[C@H](O)C)CC=C(C)C
Compound: 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide
SMILES: O=C1OCC=2C1=C(O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)C(=C(OC)C2C)C
Compound: Porphyromonas gingivalis lipid A
SMILES: P(=O)(O[C@H]1OC([C@@H](O)C(C1NC(=O)CC(O)CCCCCCCCCCCC(C)C)OC(=O)CC(O)CCCCCCCCCCCCC)CO[C@@H]2OC([C@@H](O)C(C2NC(=O)CC(OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC(C)C)O)CO)(O)O
Compound: 4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione
SMILES: O=C1O[C@H](CCCC[C@@H]2[C@@H](C1)[C@@H](O)[C@H](OC)CC2=O)C
Compound: 2-(4-Hydroxy-3,5-dinitrophenyl)-ethanol
SMILES: O=[N+]([O-])C1=C(O)C([N+](=O)[O-])=CC(=C1)CCO
Compound: Diplobifuranylone B
SMILES: O=C1OC(C2OC([C@H](O)C)C=C2)CC1
Compound: Talapolyester A
SMILES: O=C(O[C@@H](CO)CC(=O)O)C1=C(O)C=C(O)C=C1C[C@H](OC(=O)C[C@H](OC(=O)C[C@@H](O)C)C)C
Compound: Luisol B
SMILES: O1[C@@](O)([C@@]23O[C@@]3(C1)[C@H](O)C=4C=CC=C(C4[C@@H]2O)O)C
Compound: Pestalofone D
SMILES: O=C(OC)C1=C(C(O)=CC(=C1)OC)C(=O)C2=C(O)C=C(C)C3=C2O[C@@](C=C=C4[C@@H](O)[C@]5(O[C@H]5[C@H](C4)O)CC=C(C)C)(C)C3
Compound: 4Z-Infectopyrone
SMILES: O=C1OC(\C(=C/C(=C/C(=O)O)/C)\C)=CC(=C1C)OC
Compound: Cochliodone H
SMILES: O=C1C(C=2C(=O)[C@](OC(=O)C)(C(=O)C=3C2C[C@@]4(OC(CCC4)C)OC3)C)=C5C(=COC(=C5)CCCC(O)C)C([C@@]1(OC(=O)C)C)=O
Compound: 6-hydroxypunctaporonin D
SMILES: O[C@]12C(C[C@@H]1[C@]3(C=C[C@@H]([C@]3(C[C@@H]2O)C)O)CO)(C)C
Compound: Feigrisolide C
SMILES: O=C1O[C@H](C[C@@H]2O[C@H]([C@H](C)C(O[C@@H](CC[C@H]([C@H]1C)O)C[C@H](O)CC)=O)CC2)C
Compound: Exfoliamycin
SMILES: O=C1C2=C(O)C3=C(C[C@](O)(C)O[C@@H]3CCC)C=C2C(=O)C=C1[C@H]4OC(CO)[C@H]([C@H]4O)O
Compound: Bacitracin I1
SMILES: S1C(=NC(=C1)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC([C@H](NC([C@@H](NC([C@H](NC2=O)CCCN)=O)C(C)C)=O)CC3=CC=CC=C3)=O)CC=4NC=NC4)CC(=O)O)CC(=O)N)[C@H](CC)C)CCC(=O)O)CC(C)C)C(=O)C(C)C
Compound: 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-D-trehalose
SMILES: O=C(O[C@H]1[C@H](O[C@H](COC(=O)C)[C@H]([C@@H]1O)O)O[C@@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)CCCCCCCCCCCCCCCCC
Compound: Calcaride B
SMILES: O=C1O[C@@H](CC(=O)O[C@@H](CC(=O)O[C@@H](CC=2C=C(O)C=C(C2C(O[C@@H](CC(O[C@@H](CC=3C1=C(O)C=C(OC)C3)C)=O)C)=O)O)C)CO)C
Compound: 6,10-Dimethylbicyclo[4.4.0]decan-3-ol
SMILES: OC1CC2[C@](CCC[C@@H]2C)(C)CC1
Compound: {(Z)-3-(chloromethylene)-2,3-dihydrobenzo[b]oxepin-7-yl}methanol
SMILES: Cl/C=C\1/C=CC=2C=C(CO)C=CC2OC1
Compound: Thiazomycin D
SMILES: S1C2=NC(=C1)C(=O)N[C@@H]3C=4SC=C(N4)C(=O)N[C@H](C=5SC=C(C6=C(C7=NC(C(N[C@H](C(NC2=C(OC)C)=O)[C@H](O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10CO[C@@H]3[C@H](O[C@@H]%11O[C@H]([C@@H](O)[C@](C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9O)=O
Compound: Vibralactone B
SMILES: O=C1O[C@H]2C[C@]3([C@@H]([C@@]12CC=C(C)C)O3)CO
Compound: 8-chloro-3'4', 5, 7-tetrahydroxyisoflavone
SMILES: ClC1=C2OC=C(C3=CC(O)=C(O)C=C3)C(C2=CC=C1O)=O
Compound: Eutypellin B
SMILES: O=C/1O[C@H](/C=C/CO)[C@H](\C1=C/C=C/CO)O
Compound: Norcyclocitrinol A
SMILES: O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@](O)(CCO)C)C)C=4C[C@H]1C[C@@H](O)CC4
Compound: Conocenolide B
SMILES: O=C1OC/C(=C\2/[C@H](C=C)CC(C2)(C)C)/[C@@H](C1)CO
Compound: Phlebic acid D
SMILES: O=C(O)[C@]12[C@@]3([C@@H](OC(=O)C)C[C@H]4C(CCC[C@@]4([C@H]3CC[C@@H]1[C@@]5([C@H]([C@@H](C(O)(C)C)CC5)CC2)C)C)(C)C)C
Compound: 3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole
SMILES: O=C1NNC(=C1O)OC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCO)C(=O)O
Compound: Diasteltoxin B
SMILES: O=C1OC(=C(C)C(=C1)OC)[C@@H]2[C@]3(OC(=O)C=C([C@@]3(C)[C@H]2/C=C/C=C/[C@H]4O[C@H]5O[C@H](CC)[C@@]([C@]5([C@H]4O)C)(O)C)OC)/C=C/C=C/C=C/[C@H]6O[C@H]7O[C@H](CC)[C@@]([C@]7([C@H]6O)C)(O)C
Compound: 9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one
SMILES: O=C1C=C(COC(=O)C)[C@](C1)([C@@]2(C=C[C@](O)(C)CC2)C)C
Compound: Podoscyphic acid
SMILES: O=C(O)/C=C/C(=O)C(=O)CCCCCCCCCCC
Compound: Eurystatin A
SMILES: O=C1NC(C(=O)NCCCC(C(NC(C1=O)C)=O)NC(=O)/C=C/CCC(C)C)CC(C)C
Compound: (3R,5R)-3-O-beta-D-mannosyl-3,5-dihydrodecanoic acid
SMILES: O=C(O)C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C[C@H](O)CCCCC
Compound: KRIBB-BP005m
SMILES: O=C1O[C@@]23[C@@]4([C@H](C[C@](C=C)(C)CC4)CC[C@@H]3[C@]1(CCC2)C)C
Compound: Umbilicaxanthoside A
SMILES: O=C1C2=C(OC3=C1C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C=C3O)C(OC)=CC(=C2O)CC=C(C)C
Compound: Aigialomycin D
SMILES: O=C1O[C@H](CC=C[C@@H](O)[C@@H](O)CCC=CC=2C1=C(O)C=C(O)C2)C
Compound: A83543C
SMILES: O=C1C2=C[C@H]3[C@H]4[C@@H](C[C@H](C4)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@H]5OC)OC)C)C=C[C@H]3[C@@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H]1C)O[C@@H]6O[C@@H]([C@@H](N)CC6)C
Compound: 1,4-dimethoxy-3-(3′-hydroxy-3′-methyl-1′-tetralon e)-1(3H)-isobenzofuran
SMILES: O=C1C2=C(C=CC(=C2)[C@H]3O[C@H](OC)C=4C3=C(OC)C=CC4)C[C@](C1)(O)C
Compound: Sumalarin C
SMILES: S([C@@H]1CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O[C@H](CCC1)C)C[C@@H](O)C(=O)O
Compound: Linearolide B
SMILES: O=C(NC1C(O)C(OC(C1)OC(/C=C/C(O)(C2C(/C=C/C(=C/C(C(O)C)C)/C)C(OC)CC2)C)C(/C=C(\OC)/C3OC(O)(C(OC)C(C3C)O)CC)C)C)C
Compound: Speciosin B
SMILES: O=C1C=C[C@H](O)[C@@H]2[C@]1(O2)C#CC3OC3
Compound: 6-O-methyl-7-O-alpha-rhamnopyranosyldaidzein
SMILES: O=C1C(C2=CC=C(O)C=C2)=COC3=C1C=C(OC)C(=C3)O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C
Compound: Indimicin E
SMILES: ClC1=CC2=C(NC=C2C=3C(=CN(C3)C)[C@@]4(C5=C(C=CC(=C5)Cl)N(C4)C)C)C=C1
Compound: Sporogen-AO 1
SMILES: O=C1C=C2[C@]([C@H]([C@H](O)CC2)C)(C)[C@@H]3[C@]1(O3)C(=C)C
Compound: 3-(3,5-dimethylhepta-1,3-dienyl)-5,7-dihydroxy-7-methylisochromene-6,8-dione
SMILES: O=C1C(O)=C2C(=COC(=C2)C=CC(=CC(CC)C)C)C(C1(O)C)=O
Compound: Phomentrioloxin C
SMILES: O=C1[C@H](O)C(C#CC(=C)CCC=C(C)C)=C[C@H]([C@H]1OC)O
Compound: Lachnone C
SMILES: O=C1C2=C(O[C@](C1)([C@H]3OC(=O)CC3)C)C=C(CO)C=C2O
Compound: Inoterpene D
SMILES: O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC=C(C)C)CO)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Compound: 17-epoxymyxothiazole A
SMILES: S1C(=NC(=C1)/C=C/[C@H](OC)[C@H](/C(/OC)=C\C(=O)N)C)C=2N=C([C@H](/C=C/C3OC3C(C)C)C)SC2
Compound: Maltepolide D
SMILES: O=C1O[C@H](/C=C/[C@@H](O)[C@@H](O)C)[C@@H]([C@@H]2O[C@@H](C=C([C@H](O)CC=CC=C(C([C@H](C=C1C)C)=O)C)C)[C@H](C2)OC)C
Compound: Penicitrinol E
SMILES: O1C2=C3C(=C(C)C(=C2)O)[C@@H]([C@@H](C)O[C@@H]3C[C@@]1(OC)C)C
Compound: Uredinorubellin I
SMILES: O=C1C2=C(C(=O)C3=C1C(O)=CC4=C3[C@H]5C=C[C@@H](O)C6([C@@]5([C@@H](O)C=7C=C(C)C=C(C7C6=O)O)C4)O)C(O)=CC=C2O
Compound: 3,5-Dichloro-anisyl alcohol
SMILES: ClC1=C(OC)C(Cl)=CC(=C1)CO
Compound: Aeruginazole DA1274
SMILES: S1C2=NC(=C1)C(=O)N[C@H](C=3SC=C(N3)C(=O)N[C@H](C(=O)N[C@@H](C=4SC=C(N4)C(=O)NCC(NCC(NCC(NCC(N[C@H](C(N[C@H](C(N[C@H]2[C@H](CC)C)=O)CC5=CC=CC=C5)=O)CC6=CC=CC=C6)=O)=O)=O)=O)CC(=O)N)CC7=CC=C(O)C=C7)CC(C)C
Compound: Campyridone A
SMILES: O=C1NC=C(C2=CC=C(O)C=C2)C3=C1C(=O)[C@@]4(C=C([C@H]5CC[C@@H](C[C@@H]5[C@H]4C=CC)C)C)O3
Compound: Tricladolide C
SMILES: O=C1OC(=O)C(=C1/C=C/CCCC[C@@H](O)C)C
Compound: Sterenin L
SMILES: O=C1N(C(C(=O)O)C(CC)C)CC2=C1C=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2O)CC=C(C)C
Compound: Applanoxidic acid E
SMILES: O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](/C(=C/C(=O)CC(C(=O)O)C)/C)C[C@H]5O)C)C)C
Compound: Tricycloalternarene 5a
SMILES: O=C1C2=C(OC3(CCC(C3C2)/C(=C/CC=C(C)C)/C)C)C(OC)CC1
Compound: Dehydromonacolin K
SMILES: O=C1O[C@@H](CC=C1)CC[C@@H]2[C@@H]3C(C=C[C@@H]2C)=C[C@H](C)C[C@@H]3OC(=O)[C@@H](CC)C
Compound: Antagonistic factor
SMILES: O=C1O[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC(C)C)=O)CC2=CC=CC=C2)=O)CCN)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(CC)C)CCN)[C@H](O)C)CCN)[C@H](O)C)CCN)CCN
Compound: Enniatin Q
SMILES: O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@@H](C(O[C@@H](C(N([C@H]1[C@@H](C=C)C)C)=O)C(C)C)=O)[C@H](C=C)C)C)C(C)C)[C@@H](C=C)C)C)C(C)C
Compound: TPU-0037-A
SMILES: O=C1NCC(C1=C(O)C2(C3C(C=C(C2CCC(C(O)/C(=C/CC(O)/C=C/C(C(O)/C=C/CC(O)/C=C/CC(O)CC4N(C(=N)N)CCC4)C)/C)C)C)C(O)C(O)CC3)C)=O
Compound: 8'-O-demythylisonigerone
SMILES: O=C1C=2C(OC(=C1)C)=C(C3=C(O)C=4C(OC(C)=CC4O)=C5C3=CC(=O)C=C5OC)C6=CC(OC)=CC(=C6C2O)OC
Compound: 3-(1′-Hydroxypentyl)phenol
SMILES: OC1=CC(=CC=C1)[C@@H](O)CCCC
Compound: Aperterone B
SMILES: O=C1OC(=O)C(=C1C2=CC=C(O)C=C2)CC3=CC(=C(O)C=C3)CCC(O)(C)C
Compound: Gombapyrone E
SMILES: O=C1OC(=C(C)C(=C1C)O)C/C=C(/C=C/C=C/C=C\C2=C(C=C(C)C=C2)CC=C)\C
Compound: Dihydroaspirone
SMILES: O=C1O[C@@H]([C@@H](O)C=C1C[C@@H](O)C)C
Compound: WS79089A
SMILES: O=C1OC(CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4C(O)CC3C2)OC)=O)C
Compound: Versicamide F
SMILES: O=C1N2C=CC(C3=NC4=C([C@]3(C[C@H]2C(=O)N5[C@@]1(OC)[C@@H](O)CC5)O)C=CC6=C4C=CC(O6)(C)C)(C)C
Compound: Milbemycin alpha31
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C4C5=C1C=C(C)C(=C5OC4)O)C)C)O[C@@H]([C@@H](C)CC3)CC
Compound: Cyanostatin A
SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)CCCCCCC)C)C(C)C)C)CC1=CC=C(O)C=C1)CCC2=CC=C(O)C=C2
Compound: 2-(2-hydroxypropanamido) benzoic acid
SMILES: O=C(O)C1=C(NC(=O)[C@@H](O)C)C=CC=C1
Compound: Tricladic acid C
SMILES: O=C(O)/C(/C(C(=O)O)=C)=C/CCCCCCCO
Compound: Taxlllaid D
SMILES: O=C1O[C@@H]([C@H](NC(=O)CCC(C)C)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]1C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)CC2=CC=CC=C2)C)C
Compound: Milbemycin beta12
SMILES: O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](O)C4)C)O)C)C)C)O[C@@H]([C@@H](C)CC3)C
Compound: Cyclopenicillone
SMILES: O=C1C(=C([C@H](O)CC/C=C/C)[C@@H]([C@H]1C)O)C
Compound: Petchiate B
SMILES: O=C(OCC)/C=C(/C=1OC(CO)=CC1)\C(=O)C
Compound: Bacithrocin C
SMILES: O=C(NC(C=O)CCCN=C(N)N)[C@@H](NC(=O)CC)CC1=CC=CC=C1
Compound: Tolyporphin J
SMILES: O=C1C=2N=C(C1(O)C)C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5)C)C(O)(C4=O)C)C=C3C
Compound: Agnestadride B
SMILES: O=C1OC(=O)C2=C1C(=C3OC(=O)C(=C3CC2)C=CCC)CCC
Compound: Viridepyronone
SMILES: O=C1OC(=CC=C1)CCCC(=O)C
Compound: Protohypericin
SMILES: O=C1C2=C(O)C=3C=4C(=C5C(O)=CC(=C6C5=C(C4C2=CC(=C1)C)C=7C(C(=O)C=C(C7)C)=C6O)O)C(O)=CC3O
Compound: 17-O-demethylgeldanamycin hydroquinone
SMILES: O=C1NC2=C(O)C(=C(O)C(=C2)O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Compound: Apramide G
SMILES: S1C(=NC=C1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](CCCCC#C)C)C)C)C)C(C)C)C)C(C)C)C)C(C)C)C)C(C)C)CCC2
Compound: Grabetaypeptolide G
SMILES: S1C2=N[C@@H](C1)C(=O)N[C@@H](C=3SCC(N3)C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](C(O[C@H](C(N([C@H](C(N4[C@H](C(N([C@@H]2CC5=CC=CC=C5)C)=O)CCC4)=O)C(C)C)C)=O)CC6=CC=CC=C6)=O)C)C)C(C)C)CC7=CC=CC=C7)C)C
Compound: beta,beta-ergoannam
SMILES: O=C1N2[C@@H](C(=O)N([C@H]1[C@H](CC)C)C(=O)[C@H](NC(=O)[C@@H]3C=C4C5=C6C(NC=C6CC4N(C3)C)=CC=C5)[C@@H](CC)C)CCC2
Compound: Striatisporin A
SMILES: O=C(O)/C=C(/C=C/C=C(/[C@H](O)[C@@H](C(=O)O)C)\C)\C
Compound: L-671776-C
SMILES: O1C2=C(C(=CC(=C2C[C@@]13[C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC[C@H]3C)C)O)CO)CO
Compound: Epothilone N
SMILES: Cl[C@@H]1[C@@H](O)C[C@@H](O)/C(=C/C=2N=C(C)SC2)/COC(=O)C[C@H](O)C(C([C@@H]([C@H]([C@H](CCC1)C)O)C)=O)(C)C
Compound: 5-hydroxydeoxyvasicinone
SMILES: O=C1N2C(=NC3=C1C=CC=C3O)CCC2
Compound: Rubellin A
SMILES: O=C1O[C@H]2[C@@]3([C@@H](C=4C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=CC4C3)O)=O)C=C[C@@H]2O)[C@H](C=7C1=C(O)C=C(C)C7)O
Compound: Cytosporone D
SMILES: O=C1O[C@H](C=2C(O)=C(O)C(=CC2C1)O)CCCCCCC
Compound: Ganoderenic acid F
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)C)/C(=C\C(=O)CC(C(=O)O)C)/C)C
Compound: 2,3,4-trihydroxy-6-(methoxymethyl)-5-methylbenzaldehyde
SMILES: O=CC1=C(O)C(O)=C(O)C(=C1COC)C
Compound: Chaunolidine A
SMILES: O=C1N[C@H]([C@@H](O)C2=CC=C(O)C=C2)C(C1=C(O)[C@H](C[C@H](CC=CC)C)C)=O
Compound: ES 242-1
SMILES: O=C(OC1C2=C(C=3C=4C(C(O)=C5C3CC(C)OC5)=C(OC)C=C(C4)OC)C=6C(=C(OC)C=C(C6)OC)C(=C2COC1C)O)C
Compound: Gymnasterone D
SMILES: O=C1C=C2C=CC3=C4C(=O)C[C@@H]([C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)[C@@H](/C=C/[C@@H](C(C)C)C)C
Compound: methyl 5-(hydroxymethyl) furan-2-carboxylate
SMILES: O=C(OC)C=1OC(CO)=CC1
Compound: Surugamide B
SMILES: O=C1N[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]1[C@H](CC)C)=O)C)=O)[C@H](CC)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCN)C(C)C
Compound: Versisponic acid A
SMILES: O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)O)C)CC/C=C(\CO)/C
Compound: Darlucin A
SMILES: O(C1=CC=C(CC([N+]#[C-])=C([N+]#[C-])CC2=C(O)C=CC(=C2)O)C=C1)C
Compound: Quartromicin D1
SMILES: O=C1C23OC(C1C(O)C(=CC=CC4(C=C(C(C)CC45OC(O)C(C5=O)C(O)C=CC6(C=C(C=O)C(C)CC67OC(C(C(C(=CC=CC8C9(C(C(C(C=CC2(C=C(C=O)C(C3)C)C)O)C(O9)O)=O)CC(C)C(=C8)CO)C)O)C7=O)O)C)CO)C)C)O
Compound: Waol acid
SMILES: O=C(O)C1=C[C@@H](O)[C@@H](/C=C/C)O[C@H]1[C@@H](O)/C=C/C
Compound: Vibranether
SMILES: O1C2=C(C=C(C(OC)C(O)C)C=C2)C=CC1(C)C
Compound: Pterulamide V
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)NC)[C@H](CC)C)C)C(C)C)C(C)C)C)C(C)C)C)C(C)C)C)C1=CC=CC=C1
Compound: 3-Dimethoxy-12alpha-hydroxycholanic acid
SMILES: O=C(O)CC[C@H](C1[C@]2([C@@H](O)CC3[C@@]4(C(CC(OC)(OC)CC4)CCC3C2CC1)C)C)C
Compound: AB-400
SMILES: O=C1O[C@@H](CC=CC=CC=CC=C[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)C[C@@H]3O[C@@](C[C@H](C[C@@H]4[C@@H](C=C1)O4)O)(O)C[C@H](O)[C@H]3C(=O)N)C
Compound: Cyclipostin P2
SMILES: P1(=O)(OC(=C2C(=O)OC[C@@H]2CO1)C)OCCCCCCCCCCCCCC(C)C
Compound: (22S)-moretan-29-ol acetate
SMILES: O=C(OC[C@H]([C@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)C
Compound: 6-epi-5'-hydroxy-mycosporulone
SMILES: O=C1C=C[C@@H](C)[C@@]2([C@H]1O)C(=O)OC([C@H]2O)=C
Compound: Dendrodolide G
SMILES: O=C1O[C@@H](CC=C[C@@H](O)CC=C[C@H](C1)O)C
Compound: cefotaxime
SMILES: [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
Compound: 4,5-dihydroxy-7-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
SMILES: O=C1C(=C(OC)C2=C(O)C3=C(O)C=C(OC3=CC2=C1)C)C4=C5OC(=CC(C5=C(O)C=6C4=CC(OC)=CC6OC)=O)C
Compound: 3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]-1H-pyrrol-1-ol-2,5-dione
SMILES: O=C1N(O)C(=O)C(=C1C2=CC=C(OCC=C(C)C)C=C2)CC(C)C
Compound: 6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
SMILES: O=C1OC(=CC=2C1=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)C2)CO
Compound: Xylopyridine A
SMILES: O1C2=C(/C(=C\3/C4=C(OC5=C3C=CC=C5)C=NC=C4)/C6=C1C=CC=C6)C=CN=C2
Compound: methyl 4,13-dimethyltetradecanoate
SMILES: O=C(OC)CC[C@H](CCCCCCCCC(C)C)C
Compound: MLR-52
SMILES: O=C1NCC=2C1=C3C=4N([C@H]5O[C@@](N6C4C2C7=C6C=CC=C7)([C@@H](OC)[C@@H]([C@@H]5O)O)C)C8=C3C=CC=C8
Compound: (-)-cochlearol A
SMILES: O=C1C2=C(O)C=CC(=C2[C@@]34O[C@@H](CC[C@]3(C1)C(=O)O)OC4)O
Compound: Naseseazine C
SMILES: O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC(=C4)[C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H]9CCCN9C([C@@H]8C6)=O)NC3)CCC2
Compound: Peniamidienone
SMILES: O=C1/C(=C\NC=2C(=O)OC(C2)C)/C(/C=C/C=C/CCC)CC=C1
Compound: 2,4,6-trichloro-3-methoxyphenol
SMILES: ClC1=C(OC)C(Cl)=CC(=C1O)Cl
Compound: Microginin 299-C
SMILES: O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCC)C(C)C)C)C(C)C)C)CC3=CC=C(O)C=C3)CCC2
Compound: N-{1-[4-(acetylamino)phenyl]-3-hydroxy-1-(1H-indol-3-yl)propan-2-yl}-2,2-dichloroacetamide
SMILES: ClC(Cl)C(=O)NC(C(C1=CC=C(NC(=O)C)C=C1)C=2C3=C(C=CC=C3)NC2)CO
Compound: Phomoxydiene A
SMILES: O=C1O[C@H]([C@@H](OC(=O)C)C=C1)[C@H]2[C@@H]3O[C@@]([C@H]2C)(O)C=CC=C3
Compound: Hyafurone B
SMILES: O=C1C(=C(/C=C/CC(O)/C=C\C=C\C(=C\C=C\C(C(O)C(CCC2=CC=CC=C2)C)C)\C)OC1(O)C)C
Compound: Aspernolide I
SMILES: O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)C[C@H](O)C(O)(C)C)C(=C1OC)C3=CC=C(O)C=C3
Compound: 3,5-dihydroxy-7-(14-oxopentadecyl)benzoic acid
SMILES: O=C(O)C1=C(O)C=C(O)C=C1CCCCCCCCCCCCCC(=O)C
Compound: Fomeffic acid
SMILES: O=C(O)[C@@H]1[C@@]2([C@H](C([C@H](O)CC2)(C)C)C[C@@H]([C@H]1C)O)C
Compound: Rhodochelin
SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)C(OC(=O)[C@@H](N)CCCN(O)C=O)C)C1=C(O)C(O)=CC=C1
Compound: Penipacid B
SMILES: O=C(O)C1=C(NC(=NCC(OC)(C)C)C)C=CC=C1
Compound: Myxotrichin D
SMILES: O=C1C2=C(OC(=C1)C)C3=C(C=C(O)C=C3C(=O)O)OC2
Compound: Cucurbitarin E
SMILES: O=C1[C@](O)(C2=CC=CC=C2)[C@H](O)C[C@@]1(O)C3=CC=CC=C3
Compound: Pimara-9(11),15-diene
SMILES: C12=CC[C@](C=C)(C)C[C@@H]1CC[C@@H]3[C@@]2(CCCC3(C)C)C
Compound: Inonotusol F
SMILES: O=C1O[C@@H](C(=C(C)C)C)CC1C2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C
Compound: Sf2446a2
SMILES: O=C1C(N[C@@H]2O[C@H]([C@H](OC)[C@H]([C@H]2OC)O)C)=CC(=O)C3=C1C=C4C(=O)C5(O)C6=C(O)C(=C(C)C=C6C[C@@H](C5(C(C4=C3O)=O)OC)O)C(=O)OC
Compound: (14S)-oxoglyantrypine
SMILES: O=C1N2C(=NC3=C1C=CC=C3)C(=O)NC([C@@H]2CC=4C5=C(C=CC=C5)NC4)=O
Compound: Calopin
SMILES: O=C1OC[C@@H](C)[C@@H]([C@@H]1O)C2=C(O)C(O)=C(C)C=C2
Compound: Isoilludin S
SMILES: O=C1C(O)(C=2C([C@@H](O)[C@@](C2)(CO)C)=C(C13CC3)C)C
Compound: (+)-dalmanol A
SMILES: O=C1C=2C=3C=4C(OC=5C=CC=C(C5C4[C@H](O)[C@H](C3C(=C1)O)C)O)=CC2O
Compound: N-[(1R)-2-hydroxy-1-methoxy-methyl ethyl]-(4E,7S)-7-methoxy-4-eicosenamide
SMILES: O=C(N[C@@H](COC)CO)CC/C=C/C[C@@H](OC)CCCCCCCCCCCCC
Compound: Trichorzin PAu 4
SMILES: O=C(N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)CC2=CC=C(O)C=C2)CCC(=O)N)(C)C)(C)C)CC(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)C(NC(=O)C)(C)C)CO)C)(C)C)(C)C)CCC(=O)N)(C)C)C(C)C)(C)C)CC(C)C)(C)C
Compound: Cyathuscavin C
SMILES: O=C1OC(=CC2=C1C3=C(O)C(O)=C(OC)C(=C3[C@@H](O)O2)C(=O)O)/C=C/C
Compound: PI-200
SMILES: O=C1O[C@@H](C[C@H]2[C@]1([C@@H]3[C@@H](CCCC3)C=C2C)C)CC
Compound: Hydrogrammic acid
SMILES: O=C(O)C1=C(C[C@H]2[C@@H]1C=C(C=O)[C@@]3(C=O)[C@@]2(C3)C)C
Compound: (-)-hydroxysydonic acid
SMILES: O=C(O)C1=CC(O)=C([C@](O)(CCCC(O)(C)C)C)C=C1
Compound: Beauveriolide VIII
SMILES: O=C1OC(C(CCCCCC)C)CC(=O)N[C@@H](C(C)C)C(N[C@H](C(NC1[C@H](CC)C)=O)C)=O
Compound: Pitipeptolide E
SMILES: O=C1N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@@H](CCC2)C(N[C@H](C(NCC(O[C@H](C1(C)C)CCCC#C)=O)=O)[C@H](CC)C)=O)C(C)C)CC3=CC=CC=C3)C)C(C)C
Compound: Lydiamycin A
SMILES: O=C1N2NCCC[C@@H]2C(=O)OC[C@H](NC(=O)C3N(N=CCC3)C(=O)CC(C(=O)O)CCCCC)C(N[C@@H](C(N[C@H]1C)=O)CC(C)C)=O
Compound: Berkchaetoazaphilone C
SMILES: O=C1C=C2C(=COC(=C2)C[C@@H](O)C)[C@H]([C@]1(O)C)CC(=O)CCCCCCCCC
Compound: Sch 725674
SMILES: O=C1OC(CCCCCC(CC(C(C=C1)O)O)O)CCCCC
Compound: Ajudazol A
SMILES: O=C1O[C@H]([C@H](O)C=2C1=C(O)C(=CC2)C)[C@H](CC=3N=C(C(=C)C\C=C/C=C\CC/C=C/CN(C(=O)/C=C(/OC)\C)C)OC3)C
Compound: Parasiticol
SMILES: O=C1OC2=C(C(OC)=CC3=C2C4C=COC4O3)C(=C1)CCO
Compound: Calditoglycerocaldarchaeol
SMILES: O1C(COCCC(CCCC2CC(C(CCCC(CCC(CCCC(C3CC(CCCC(CCOC(COCCC(CCCC4CC(C(CCCC(CCC(CCCC(C5CC(CCCC(CC1)C)CC5)C)C)C)C)CC4)C)CO)C)CC3)C)C)C)C)CC2)C)COC6[C@](O)([C@@H](O)[C@H]([C@@H]6O)O)CO
Compound: Caryose
SMILES: O=CC(O)C[C@@]1(O)[C@@](O)([C@H](O)[C@H]([C@@H]1O)O)C
Compound: Lunatoic acid A
SMILES: O=C1C=2C(C=C(/C=C/C(=O)O)OC2)=CC([C@@]1(OC(=O)[C@H](C[C@H](CC)C)C)C)=O
Compound: FR-111142
SMILES: O=C(O[C@H]1[C@@H](OC)[C@@H]([C@]2(OC2)CC1)[C@]3(O[C@@H]3CC=C(C)C)C)/C=C/C(O)C(O)C
Compound: (1R,2S,6R,7R,9S,10Z)-9-hydroxy-10-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-7,9-dimethyl-3,5-diazatricyclo[5.2.2.02,6]undecane-4,8,11-trione
SMILES: O=C1/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@](O)(C)C([C@@]1([C@H]3NC(=O)N[C@@H]23)C)=O
Compound: Nannozinone A
SMILES: O=C1N2C(=C(CCC3=CC=CC=C3)N=C1)CCC2
Compound: Caloporoside
SMILES: O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCCCCC[C@H](OC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC([C@@H](O)C(C2O)O)CO)CO)C
Compound: YM-254892
SMILES: S(CC(=O)N[C@H](C(=O)O[C@@H]([C@@H]1NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C(N(C(=O)[C@H](OC([C@H]([C@H](OC([C@@H](N(C1=O)C)[C@H](OC)C)=O)C)NC(=O)C)=O)CC2=CC=CC=C2)C)=C)C)C)C)C(C)C)[C@H](O)C(C)C)C
Compound: Microviridin SD-1684
SMILES: O=C1N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(N[C@@H]([C@@H](C(NCCCC[C@@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)[C@H](O)C)C)[C@H](O)C)CCCNC(=N)N)=O)O)C(=O)N[C@H](C(=O)O)CC4=CC=C(O)C=C4)=O)CC=5C6=C(C=CC=C6)NC5)CC(=O)O)CO)CCC2
Compound: 7-Desacetoxyhelvolic acid
SMILES: O=C1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](/C(=C(\C(=O)O)/CCC=C(C)C)/[C@H](C4)OC(=O)C)CC3)C)(C)CC([C@H]2[C@@H]1C)=O)C
Compound: 15G256delta
SMILES: O=C1OC[C@@H]([C@H](O)[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CO)=O)C(=O)C=2C3=C(C=CC=C3)NC2)=O)CCC(=O)O)C)CCCCCCCC
Compound: (1Z,3S,5E,10S,11R)-2,6,10-trimethyl-1-(2-methylthiazol-4-yl)trideca-1,5-diene-3,11-diol
SMILES: S1C(=NC(=C1)/C=C(/[C@@H](O)C/C=C(\CCC[C@@H]([C@H](O)CC)C)/C)\C)C
Compound: 3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester
SMILES: O=C1OC(C(C)C=2C1=C(O)C(=C(OC)C2C)C(=O)OC)C
Compound: 4-methylaminobenzoyl rhamnopyranoside
SMILES: O=C(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)C)C2=CC=C(NC)C=C2
Compound: Putaminoxin B
SMILES: O=C1OC(CC=C[C@H](CCC1)O)CCCCC
Compound: N-(4-hydroxyphenethyl)-2-(1H-indol-3-yl)acetamide
SMILES: O=C(NCCC1=CC=C(O)C=C1)CC=2C3=C(C=CC=C3)NC2
Compound: Thielavin H
SMILES: O=C(OC1=C(C(O)=C(C(=O)O)C(=C1C)C)C)C2=C(O)C(=C(OC(=O)C3=C(O)C=C(O)C=C3C)C(=C2C)C)C
Compound: Karnamicin D3
SMILES: S1C(=NC(=C1)C2=NC(=C(O)C(=C2OC)OC)C(=O)N)CC[C@@](O)(CC)C
Compound: 2-(Tetradecanoylamino)-3-methylbutyric acid 2-deoxy-2-(butyrylamino)-alpha-D-glucopyranosyl ester
SMILES: O=C(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)CCC)O)CO)C(NC(=O)CCCCCCCCCCCCC)C(C)C
Compound: Mycinamicin XVIII
SMILES: O=C1O[C@@H]([C@@H]([C@H]2O[C@H]2C=CC(=O)[C@@H](C[C@H]([C@@H]([C@@H](C=C1)C)O[C@@H]3O[C@@H](CC(C3O)N(C)C)C)C)C)CO)CC
Compound: Lobocyclamide A
SMILES: O=C/1N2[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(CC)C)C(N[C@H](C(NCC(N[C@@H](CC(N[C@H](C(N\C1=C\C)=O)CO)=O)CCCCC)=O)=O)CC(C)C)=O)C(CC)C)CC(C)C)CC3=CC=C(O)C=C3)CCO)C[C@H](C2)O
Compound: Diazaquinomycin G
SMILES: O=C1NC=2C(=O)C=3NC(=O)C=C(C3C(C2C(=C1C)CCCCC)=O)CCC
Compound: Waol C
SMILES: O=C1O[C@H](/C=C/C)[C@H]2C1[C@H](O)[C@H](O)[C@@H](/C=C/C)O2
Compound: 3-epi-phomadecalin D
SMILES: O1[C@@]2(C(=C)CO)[C@@H](O)C=C3[C@]([C@@H]12)([C@H]([C@@H](O)C=C3)C)C
Compound: Flammulinolide B
SMILES: O=C1OCC2=C1[C@@]3(O)[C@@H](O)C(C)(C)C[C@H]3C[C@H]2C
Compound: Gombapyrone C
SMILES: O=C1OC(=C(C)C(=C1C)OC)C/C=C/C=C\C=C/C2=C(C=C(C)C=C2)CC=C
Compound: 22b-Acetoxy-3a,15a-trihydroxylanosta-7,9(11),24-trien-26-oic acid
SMILES: O=C(O)/C(=C/C[C@H](OC(=O)C)C([C@@H]1[C@@]2([C@@](C=3C([C@@]4(C(C([C@H](O)CC4)(C)C)CC3)C)=CC2)(C)[C@H](C1)O)C)C)/C
Compound: 7-O-beta-D-galactosyl-brefeldin A
SMILES: O=C1O[C@H](CCCC=C[C@H]2[C@H]([C@@H](C=C1)O)C[C@@H](OC3OC(C(O)C(C3O)O)CO)C2)C
Compound: Ammonificin D
SMILES: BrC1=C(Br)C=CC(=C1)C=2C3=C(OCC2OC4=CC(O)=CC=C4)C(=CC=C3O)[C@@H](O)CN
Compound: Ganorbiformin F
SMILES: O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)CC4)(C)CC3)C)[C@@H](C2)OC)(C)CC1)(C)C
Compound: Naphthalecin
SMILES: O=C(C1=C(O)C2=C(O)C(=C(O)C=C2C=C1)C(=O)C)CC
Compound: ICM0301 A
SMILES: O=C(/C(=C/C=C/[C@@H]1[C@H](/C(=C/C)/C)[C@]2(O[C@H]2[C@H]3[C@H]1C[C@@H]4O[C@@]4(C3)C)C)/C)CC
Compound: Spiromastixone I
SMILES: ClC1=C2OC(=O)C=3C(=C(Cl)C(=C(C3OC2=C(CCC)C(=C1O)Cl)Cl)O)CCC
Compound: Dermacozine H
SMILES: O=C(O)C1=C2NC3=C(C(C(=O)N)=CC=C3)N(C2=CC(=C1)C=O)C
Compound: Kipukasin H
SMILES: O=C1N(C=CC(N1)=O)[C@@H]2O[C@H](CO)[C@H]([C@H]2OC(=O)C3=C(OC)C=C(O)C=C3C)O
Compound: Actinomycin Z3
SMILES: ClCC1OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@H]2N(C([C@H](NC([C@H]1NC(=O)C3=C(N)C(=O)C(C)=C4C3=NC5=C(C(=CC=C5C(=O)N[C@@H]6C(=O)N[C@@H](C(=O)N7[C@H](C(=O)N(C)CC(N([C@H](C(OC6C)=O)C(C)C)C)=O)C(O)CC7C)C(C)C)C)O4)=O)C(C)C)=O)C(C(=O)C2)C)C)C)C
Compound: Omphalotin C
SMILES: O=C1N([C@H](C(=O)N([C@H](OC(=O)C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N2C3NC=4C=CC=CC4[C@]3(O)C[C@H]2C(=O)N([C@@H](C(N[C@H](C(N([C@H](C(N([C@H](C(N(CC(N([C@@H]1C(O)(C)C)C)=O)C)=O)C(C)C)C)=O)C(C)C)C)=O)[C@H](CC)C)=O)C(C)C)C)C)[C@@H](CC)C)C)C(C)C)C)[C@H]([C@@H](OC(=O)CC(O)(C)C)C)C)C
Compound: 5-[5-(1-Hydroxyethyl)furan-2-yl]dihydrofuran-2(3H)-one
SMILES: O=C1O[C@H](C=2OC([C@H](O)C)=CC2)CC1
Compound: Waikialide A
SMILES: O=C1[C@@H]([C@@H](C=CC=CC=CC)C[C@H](C1)O)C
Compound: Liposidolide A
SMILES: O=C1OC(C(C2OC2C(O)CCCC(O)CC(O)CC(O)CC3OC(C(C(C(CCC(CCCC(CC(C(C=C1)C)O)O)O)C)O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@@H]4O)O)CO)=O)(O)C(O)C(C3)O)C)C(C(O)C(C(O)C(C(O[C@@H]5O[C@@H]([C@@H](OC)[C@@H](C5)OC(=O)CC(O)CC(O)/C=C/CCCCCCCCC)C)CC)C)C)C
Compound: Lipoxamycin
SMILES: O=C(N(O)CCC(=O)CCCCCCC(=O)CCCC(C)C)[C@@H](N)CO
Compound: Isokibdelone A
SMILES: ClC=1C=2C(=O)C3=C(C4=C5OC6=C([C@@H](O)[C@@H](O)C[C@@H]6O)C(C5=C(O)C(=C4C=C3)OC)=O)C(C2C(=O)N(C1CCC)C)=O
Compound: Pyrrolocin A
SMILES: O=C1N([C@H](CO)C(C1=C(O)[C@]2([C@H](C(=C[C@@H]3[C@@H]2CC[C@@H](C3)C)C)/C=C/C=C/C[C@H](O)C)C)=O)C
Compound: Ganohainanic acid A
SMILES: O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC([C@]3(CO)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: BCA 4
SMILES: O=C1C(=C(O)C(OC)CC1)CC2C(=CCC2(O)C)C(CCC=C(C)C)C
Compound: Dorrigocin B
SMILES: O=C1NC(=O)CC(C1)CCCC(=O)C(/C=C(/C(O)C(C(O)C(OC)/C=C/CC/C=C/C(=O)O)C)\C)C
Compound: Mycenarubin B
SMILES: O=C1C(=O)C=C2N([C@H](C(=O)O)CC=3C2=C1NC3)CCCN=C4C(=O)C=5NC=C6C5C(=C4)N([C@H](C(=O)O)C6)CCCN
Compound: 19,20-Epoxycytochalasin N
SMILES: O=C1[C@](O)([C@@H]2O[C@H]2[C@@H](OC(=O)C)[C@@]34C(=O)N[C@H]([C@@H]3[C@]5(O[C@]5([C@H](C4C=CC[C@@H]1C)O)C)C)CC6=CC=CC=C6)C
Compound: Aeruginopeptin 95-A
SMILES: O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(O)CC2=CC=C(O)C=C2)[C@H](O)C)CCC(=O)N)C(=O)N[C@H](C(=O)NC3CCC(N([C@H](C(N([C@H](C(N[C@H]1[C@H](CC)C)=O)CC4=CC=CC=C4)C)=O)[C@H](O)C)C3=O)O)CC5=CC=C(O)C=C5)C
Compound: 5,10-methylenetetrahydrofolic acid
SMILES: Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: Maristachone C
SMILES: O=C(C(CC1=C(OC)C(=C(O)C=C1CC)C)C)CC(O)CC
Compound: (+/-)-asperlone A
SMILES: O=C1C2=C(O)C=C(O)C=C2C[C@]3(C1=C4C5=C(C(=O)C=C4O3)C(O)=CC=C5)O
Compound: Apotrisporol C
SMILES: O=C1C(=C(/C=C/C(=C/CO)/C)[C@](CO)(C)CC1)C
Compound: (2S,3S)-2-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]-3-methylpentanoic acid
SMILES: O=C1N([C@H](C(=O)O)[C@H](CC)C)CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3
Compound: 1-(2-Hydroxy-phenoxy)-trieicos-1-en-3-on
SMILES: O=C(/C=C/OC1=C(O)C=CC=C1)CCCCCCCCCCCCCCCCCCCC
Compound: Fredericamycin E
SMILES: O=C1NC(=CC=2C1=C(O)C3=C(CC[C@@]34C(=O)C(=O)C5=C(O)C6=C(O)C=C(C(=C6C(=C5C4=O)O)O)OC)C2)/C=C/C=C/C
Compound: Azamerone
SMILES: Cl[C@H]1C(OC=2[C@@](O)(C=3C=NN=C(C3C(C2C1)=O)C(=O)C)C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)(C)C
Compound: Catathelasmol C
SMILES: O=C(COC(=O)C)CCCOC(=O)C
Compound: Microginin T1
SMILES: ClCCCCCCCC(N)C(O)C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3)CCC1)C
Compound: Thiersindole A
SMILES: O[C@@H]1[C@@]2([C@@]3(C(C(C)C)=CC2)[C@H]([C@@]([C@@H](C)CC3)(CC=4C5=C(C=CC=C5)NC4)C)CC1)C
Compound: Cytospolide K
SMILES: O=C1O[C@@H](CCCC=C[C@H]([C@H]1C)O)CCC[C@@H](O)C
Compound: Nigrospin B
SMILES: O=C(O)C1=C(O)C2=C([C@@H]([C@@H](C)O[C@@H]2CC(=O)C=C(C)C)C)C(=C1O)C
Compound: (18S )-18-O-b-D-Apiofuranosyl-(1-4)-b-D-glucopyranosideof protoconstipatic acid
SMILES: O=C1O[C@@H](CCCCCCCCCCCCC[C@@H](O[C@@H]2O[C@@H]([C@@H](OC3OC[C@]([C@H]3O)(O)CO)[C@@H]([C@H]2O)O)CO)C)[C@@H](C1=C)C(=O)O
Compound: 4-chloro-1,5-dihydroxy-3-hydroxymethyl-6-methoxycarbonyl-xanthen-9-one
SMILES: ClC1=C2OC3=C(O)C(C(=O)OC)=CC=C3C(C2=C(O)C=C1CO)=O
Compound: 2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
SMILES: O1C(OC=2C3=C(OC)C=C(OC)C=C3C=C4C2CO[C@H](C4)C)C(O)C(O)C(C1CO)OC
Compound: 7-epi-8-hydroxyaltertoxin I
SMILES: O=C1C2=C(O)C=CC3=C2[C@@H]([C@@]4(O)CCC(C=5C4=C3C=CC5O)=O)[C@H]([C@H]1O)O
Compound: Menoxymycin A
SMILES: O=C1C2=C(O)C(=CC=C2C(=O)C3=C1[C@H](O[C@H]4[C@@H]3OC(=O)C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)[N+]([O-])(C)C)C
Compound: Tricholomenyn C
SMILES: O=C1C(C#CC(=C)CC/C=C(/C(=O)O)\C)=C[C@@H](OC(=O)C)[C@@H]([C@H]1OC(=O)/C(=C/CCC(C#CC=2C(=O)[C@H]3O[C@H]3[C@@H](C2)OC(=O)C)=C)/C)O
Compound: 4-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]butanoic acid
SMILES: O=C1N(CC2=C1C=C(O)C3=C2O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)C3)CCCC(=O)O
Compound: Astellolide G
SMILES: O=C1OCC2=C1C[C@@H](OC(=O)C3=CC=C(O)C=C3)[C@@H]4[C@@]2(CCC[C@@]4(COC(=O)C)C)CO
Compound: Strobilurin M
SMILES: O=C(OC)/C(/C(=C\C=C\C1=CC=2O[C@@](OCC=C(C)C)(C(C)C)COC2C=C1)/C)=C/OC
Compound: Seimatorone
SMILES: O=C1C2=C(O)C(=C(OC)C=C2[C@@H](O)CC1)C=O
Compound: Antimycin A15
SMILES: O=C1O[C@H]([C@H](OC(=O)CCC(C)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Compound: 2,5-Dimethyl-3-(2-methylbutyl)pyrazine
SMILES: N1=C(C(=NC=C1C)C)C[C@H](CC)C