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MOLECULAR FORMULA: C32H38N10O2S
MOLECULAR WEIGHT: 626.77492
SMILES: C1CN(CCC1NC(=O)C2=C3N(CCN4C(=C(N=N4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)S3)N=N2)CC7=CC=CC=C7
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-N3,N5-diphenyl-pyrazole-3,5-diamine
CAS Name: 1-(4-chlorophenyl)sulfonyl-N3,N5-diphenylpyrazole-3,5-diamine
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-N3,N5-diphenyl-pyrazole-3,5-diamine
MOLECULAR FORMULA: C21H17ClN4O2S
MOLECULAR WEIGHT: 424.90328
SMILES: C1=CC=C(C=C1)NC2=CC(=NN2S(=O)(=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4
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MOLECULAR FORMULA: C22H32N8O2S
MOLECULAR WEIGHT: 472.60688
SMILES: C1CCCC(CC1)NC(=O)C2=C3N(CCN4C(=C(N=N4)C(=O)NC5CCCCCC5)S3)N=N2
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MOLECULAR FORMULA: C22H18F2N8O2S
MOLECULAR WEIGHT: 496.492526
SMILES: C1CN2C(=C(N=N2)C(=O)NCC3=CC(=CC=C3)F)SC4=C(N=NN41)C(=O)NCC5=CC(=CC=C5)F
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MOLECULAR FORMULA: C28H36N8O2S
MOLECULAR WEIGHT: 548.70284
SMILES: C1CN2C(=C(N=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)SC6=C(N=NN61)C(=O)NC78CC9CC(C7)CC(C9)C8
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MOLECULAR FORMULA: C18H28N12O2S
MOLECULAR WEIGHT: 476.55912
SMILES: CN1CCN(CC1)NC(=O)C2=C3N(CCN4C(=C(N=N4)C(=O)NN5CCN(CC5)C)S3)N=N2
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Product OPENEYE NAME: 4-[(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)methyl]-5-hydroxy-2-methyl-furan-3-one
CAS Name: 4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-methyl-3-furanone
IUPAC NAME: 4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-methylfuran-3-one
SYSTEMATIC NAME: 4-[[3-ethanoyl-5-methyl-2,6-bis(oxidanyl)phenyl]methyl]-2-methyl-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C15H16O6
MOLECULAR WEIGHT: 292.28394
SMILES: CC1C(=O)C(=C(O1)O)CC2=C(C(=CC(=C2O)C)C(=O)C)O
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Product OPENEYE NAME: (3E,5E,7S,8S,11E,13E,15S,16S)-8-[(1S,2R,3S)-3-[(2R,4R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-16-[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihy
CAS Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,6R)-4-[[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-2-hydroxy-6-methyl-2-oxanyl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]o
IUPAC NAME: (3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-
SYSTEMATIC NAME: (3E,5E,7S,8S,11E,13E,15S,16S)-8-[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5,6-dimethyl-4-[(2R,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-16-[(2S,3R,4S)-4-[(2R,4R,6R)-5-ethyl-6-methyl-4-[(2R,4S,5S,6S)-6-methyl-4,5-bi
MOLECULAR FORMULA: C53H86O18
MOLECULAR WEIGHT: 1011.23914
SMILES: CCC1[C@H](O[C@](C[C@H]1O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O)([C@@H](C)[C@@H]([C@H](C)[C@@H]3[C@H](/C=C/C=C/C(=O)O[C@@H]([C@H](/C=C/C=C/C(=O)O3)C)[C@@H](C)[C@H]([C@H](C)[C@]4(C[C@H]([C@@H]([C@H](O4)C)C)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)C)O)O)C
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Product OPENEYE NAME: 1-[2-[methyl-[3-methyl-2-[methyl-[(2E,4E,6E)-octa-2,4,6-trienoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CAS Name: 1-[2-[methyl-[3-methyl-2-[methyl-[(2E,4E,6E)-1-oxoocta-2,4,6-trienyl]amino]-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxamide
IUPAC NAME: 1-[2-[methyl-[3-methyl-2-[methyl-[(2E,4E,6E)-octa-2,4,6-trienoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 1-[2-[methyl-[3-methyl-2-[methyl-[(2E,4E,6E)-octa-2,4,6-trienoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C23H36N4O4
MOLECULAR WEIGHT: 432.55634
SMILES: C/C=C/C=C/C=C/C(=O)N(C)C(C(C)C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)N
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Product OPENEYE NAME: 4,6-dihydroxy-3-(3-hydroxy-2,5-dimethyl-phenoxy)-5-methoxy-2,5-dimethyl-cyclohex-2-en-1-one
CAS Name: 4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-1-cyclohex-2-enone
IUPAC NAME: 4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-(2,5-dimethyl-3-oxidanyl-phenoxy)-5-methoxy-2,5-dimethyl-4,6-bis(oxidanyl)cyclohex-2-en-1-one
MOLECULAR FORMULA: C17H22O6
MOLECULAR WEIGHT: 322.35298
SMILES: CC1=CC(=C(C(=C1)OC2=C(C(=O)C(C(C2O)(C)OC)O)C)C)O
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Product OPENEYE NAME: 1,8-dihydroxy-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromene-6-carboxylic acid
CAS Name: 1,8-dihydroxy-9-oxo-2,3-dihydro-1H-cyclopenta[b][1]benzopyran-6-carboxylic acid
IUPAC NAME: 1,8-dihydroxy-9-oxo-2,3-dihydro-1H-cyclopenta[b]chromene-6-carboxylic acid
SYSTEMATIC NAME: 1,8-bis(oxidanyl)-9-oxidanylidene-2,3-dihydro-1H-cyclopenta[b]chromene-6-carboxylic acid
MOLECULAR FORMULA: C13H10O6
MOLECULAR WEIGHT: 262.2149
SMILES: C1CC2=C(C1O)C(=O)C3=C(O2)C=C(C=C3O)C(=O)O
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Product OPENEYE NAME: 7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxy-phenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
CAS Name: 7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepin-2,5-dione
IUPAC NAME: 7-[3,5-dihydroxy-4-(4-hydroxyphenyl)-2-methoxyphenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
SYSTEMATIC NAME: 7-[4-(4-hydroxyphenyl)-2-methoxy-3,5-bis(oxidanyl)phenyl]-3-methoxy-3,4-dihydrooxepine-2,5-dione
MOLECULAR FORMULA: C20H18O8
MOLECULAR WEIGHT: 386.35212
SMILES: COC1CC(=O)C=C(OC1=O)C2=CC(=C(C(=C2OC)O)C3=CC=C(C=C3)O)O
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Product OPENEYE NAME: (5R,5aS,9aS)-5,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g]isobenzofuran-1-one
CAS Name: (5R,5aS,9aS)-5,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g]isobenzofuran-1-one
IUPAC NAME: (5R,5aS,9aS)-5,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1-one
SYSTEMATIC NAME: (5R,5aS,9aS)-6,6,9a-trimethyl-5,9b-bis(oxidanyl)-3,5,5a,7,8,9-hexahydrobenzo[g][2]benzofuran-1-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@]12CCCC([C@@H]1[C@@H](C=C3C2(C(=O)OC3)O)O)(C)C
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Product OPENEYE NAME: 6-[2-hydroxy-6-(hydroxymethyl)-4-methyl-phenoxy]-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid
CAS Name: 6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid
IUPAC NAME: 6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid
SYSTEMATIC NAME: 6-[2-(hydroxymethyl)-4-methyl-6-oxidanyl-phenoxy]-2-methoxy-3-(1-methoxy-3-methyl-butyl)benzoic acid
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: CC1=CC(=C(C(=C1)O)OC2=C(C(=C(C=C2)C(CC(C)C)OC)OC)C(=O)O)CO
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Product OPENEYE NAME: 5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxy-decanoyl]oxy-3-hydroxy-decanoyl]oxy-3-hydroxy-decanoic acid
CAS Name: 5-[5-[5-(3,5-dihydroxy-1-oxodecoxy)-3-hydroxy-1-oxodecoxy]-3-hydroxy-1-oxodecoxy]-3-hydroxydecanoic acid
IUPAC NAME: 5-[5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
SYSTEMATIC NAME: 5-[5-[5-[3,5-bis(oxidanyl)decanoyloxy]-3-oxidanyl-decanoyl]oxy-3-oxidanyl-decanoyl]oxy-3-oxidanyl-decanoic acid
MOLECULAR FORMULA: C40H74O13
MOLECULAR WEIGHT: 763.00776
SMILES: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)O)O)O)O
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Product OPENEYE NAME: 5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxy-decanoyl]oxy-3-hydroxy-decanoic acid
CAS Name: 5-[5-(3,5-dihydroxy-1-oxodecoxy)-3-hydroxy-1-oxodecoxy]-3-hydroxydecanoic acid
IUPAC NAME: 5-[5-(3,5-dihydroxydecanoyloxy)-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
SYSTEMATIC NAME: 5-[5-[3,5-bis(oxidanyl)decanoyloxy]-3-oxidanyl-decanoyl]oxy-3-oxidanyl-decanoic acid
MOLECULAR FORMULA: C30H56O10
MOLECULAR WEIGHT: 576.75964
SMILES: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)O)O)O
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Product OPENEYE NAME: methyl (4bR,10aR,12aS)-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-10b,11-dihydronaphtho[2,1-f]isochromene-4a-carboxylate
CAS Name: (4bR,10aR,12aS)-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-10b,11-dihydronaphtho[2,1-f][2]benzopyran-4a-carboxylic acid methyl ester
IUPAC NAME: methyl (4bR,10aR,12aS)-6-hydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-10b,11-dihydronaphtho[2,1-f]isochromene-4a-carboxylate
SYSTEMATIC NAME: methyl (4bR,10aR,12aS)-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-6-oxidanyl-1,4,5,8-tetrakis(oxidanylidene)-10b,11-dihydronaphtho[2,1-f]isochromene-4a-carboxylate
MOLECULAR FORMULA: C26H30O8
MOLECULAR WEIGHT: 470.5116
SMILES: CC1C(=O)C2([C@]3(C(CC(=C)[C@@]2(C(=O)O1)C)[C@]4(C=CC(=O)C(C4=C(C3=O)O)(C)C)C)C)C(=O)OC
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MOLECULAR FORMULA: C26H31N3O4
MOLECULAR WEIGHT: 449.54204
SMILES: CC1(C=CC2=C(O1)C3=C(C=C2)C4(CC5C(=O)N6CCCC6C(=O)N5C4(N3)C(C)(C)C=C)O)C
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