Product OPENEYE NAME: cyanocyanamide
CAS Name: cyanocyanamide
IUPAC NAME: cyanocyanamide
SYSTEMATIC NAME: cyanocyanamide
MOLECULAR FORMULA: C2HN3
MOLECULAR WEIGHT: 67.04944
SMILES: C(#N)NC#N
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Product OPENEYE NAME: thiazolidine
CAS Name: thiazolidine
IUPAC NAME: 1,3-thiazolidine
SYSTEMATIC NAME: 1,3-thiazolidine
MOLECULAR FORMULA: C3H7NS
MOLECULAR WEIGHT: 89.15938
SMILES: C1CSCN1
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Product OPENEYE NAME: 7,11,15-trimethyl-3-methylene-hexadec-1-ene
CAS Name: 7,11,15-trimethyl-3-methylene-1-hexadecene
IUPAC NAME: 7,11,15-trimethyl-3-methylidenehexadec-1-ene
SYSTEMATIC NAME: 7,11,15-trimethyl-3-methylidene-hexadec-1-ene
MOLECULAR FORMULA: C20H38
MOLECULAR WEIGHT: 278.51572
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
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Product OPENEYE NAME: 6-methyloctanoic acid
CAS Name: 6-methyloctanoic acid
IUPAC NAME: 6-methyloctanoic acid
SYSTEMATIC NAME: 6-methyloctanoic acid
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCC(C)CCCCC(=O)O
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Product OPENEYE NAME: 3-methylsulfanylpropan-1-ol
CAS Name: 3-(methylthio)-1-propanol
IUPAC NAME: 3-methylsulfanylpropan-1-ol
SYSTEMATIC NAME: 3-methylsulfanylpropan-1-ol
MOLECULAR FORMULA: C4H10OS
MOLECULAR WEIGHT: 106.1866
SMILES: CSCCCO
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Product OPENEYE NAME: 1-fluoro-2-isocyanato-ethane
CAS Name: 1-fluoro-2-isocyanatoethane
IUPAC NAME: 1-fluoro-2-isocyanatoethane
SYSTEMATIC NAME: 1-fluoranyl-2-isocyanato-ethane
MOLECULAR FORMULA: C3H4FNO
MOLECULAR WEIGHT: 89.068363
SMILES: C(CF)N=C=O
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Product OPENEYE NAME: 1,3-dioxane
CAS Name: 1,3-dioxane
IUPAC NAME: 1,3-dioxane
SYSTEMATIC NAME: 1,3-dioxane
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: C1COCOC1
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Product OPENEYE NAME: 1,3-dithiane
CAS Name: 1,3-dithiane
IUPAC NAME: 1,3-dithiane
SYSTEMATIC NAME: 1,3-dithiane
MOLECULAR FORMULA: C4H8S2
MOLECULAR WEIGHT: 120.23632
SMILES: C1CSCSC1
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Product OPENEYE NAME: 1,4-dithiane
CAS Name: 1,4-dithiane
IUPAC NAME: 1,4-dithiane
SYSTEMATIC NAME: 1,4-dithiane
MOLECULAR FORMULA: C4H8S2
MOLECULAR WEIGHT: 120.23632
SMILES: C1CSCCS1
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Product OPENEYE NAME: 3,7,11,15-tetramethylhexadec-1-en-3-ol
CAS Name: 3,7,11,15-tetramethyl-1-hexadecen-3-ol
IUPAC NAME: 3,7,11,15-tetramethylhexadec-1-en-3-ol
SYSTEMATIC NAME: 3,7,11,15-tetramethylhexadec-1-en-3-ol
MOLECULAR FORMULA: C20H40O
MOLECULAR WEIGHT: 296.531
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
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Product OPENEYE NAME: 1-isothiocyanato-3-methylsulfonyl-propane
CAS Name: 1-isothiocyanato-3-methylsulfonylpropane
IUPAC NAME: 1-isothiocyanato-3-methylsulfonylpropane
SYSTEMATIC NAME: 1-isothiocyanato-3-methylsulfonyl-propane
MOLECULAR FORMULA: C5H9NO2S2
MOLECULAR WEIGHT: 179.26046
SMILES: CS(=O)(=O)CCCN=C=S
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Product OPENEYE NAME: 1-isothiocyanato-3-methylsulfinyl-propane
CAS Name: 1-isothiocyanato-3-methylsulfinylpropane
IUPAC NAME: 1-isothiocyanato-3-methylsulfinylpropane
SYSTEMATIC NAME: 1-isothiocyanato-3-methylsulfinyl-propane
MOLECULAR FORMULA: C5H9NOS2
MOLECULAR WEIGHT: 163.26106
SMILES: CS(=O)CCCN=C=S
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Product OPENEYE NAME: 3-(2-carboxyethylamino)propanoic acid
CAS Name: 3-(2-carboxyethylamino)propanoic acid
IUPAC NAME: 3-(2-carboxyethylamino)propanoic acid
SYSTEMATIC NAME: 3-(3-hydroxy-3-oxopropylamino)propanoic acid
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: C(CNCCC(=O)O)C(=O)O
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Product OPENEYE NAME: octanedioic acid
CAS Name: octanedioic acid
IUPAC NAME: octanedioic acid
SYSTEMATIC NAME: octanedioic acid
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: C(CCCC(=O)O)CCC(=O)O
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Product OPENEYE NAME: tridecanedioic acid
CAS Name: tridecanedioic acid
IUPAC NAME: tridecanedioic acid
SYSTEMATIC NAME: tridecanedioic acid
MOLECULAR FORMULA: C13H24O4
MOLECULAR WEIGHT: 244.32726
SMILES: C(CCCCCC(=O)O)CCCCCC(=O)O
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Product OPENEYE NAME: hexadecanedioic acid
CAS Name: hexadecanedioic acid
IUPAC NAME: hexadecanedioic acid
SYSTEMATIC NAME: hexadecanedioic acid
MOLECULAR FORMULA: C16H30O4
MOLECULAR WEIGHT: 286.407
SMILES: C(CCCCCCCC(=O)O)CCCCCCC(=O)O
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Product OPENEYE NAME: hex-2-enal
CAS Name: 2-hexenal
IUPAC NAME: hex-2-enal
SYSTEMATIC NAME: hex-2-enal
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CCCC=CC=O
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Product OPENEYE NAME: 1-chloro-2-(2-chloroethylsulfanyl)ethane
CAS Name: 1-chloro-2-(2-chloroethylthio)ethane
IUPAC NAME: 1-chloro-2-(2-chloroethylsulfanyl)ethane
SYSTEMATIC NAME: 1-chloranyl-2-(2-chloroethylsulfanyl)ethane
MOLECULAR FORMULA: C4H8Cl2S
MOLECULAR WEIGHT: 159.07732
SMILES: C(CCl)SCCCl
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