Product OPENEYE NAME: 2,6-dimethylheptan-4-ol
CAS Name: 2,6-dimethyl-4-heptanol
IUPAC NAME: 2,6-dimethylheptan-4-ol
SYSTEMATIC NAME: 2,6-dimethylheptan-4-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CC(C)CC(CC(C)C)O
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Product OPENEYE NAME: 2,6-dimethylheptan-4-one
CAS Name: 2,6-dimethyl-4-heptanone
IUPAC NAME: 2,6-dimethylheptan-4-one
SYSTEMATIC NAME: 2,6-dimethylheptan-4-one
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CC(C)CC(=O)CC(C)C
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Product OPENEYE NAME: 1,3-dimethylbutyl acetate
CAS Name: acetic acid 4-methylpentan-2-yl ester
IUPAC NAME: 4-methylpentan-2-yl acetate
SYSTEMATIC NAME: 4-methylpentan-2-yl ethanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)CC(C)OC(=O)C
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Product OPENEYE NAME: bromocyclohexane
CAS Name: bromocyclohexane
IUPAC NAME: bromocyclohexane
SYSTEMATIC NAME: bromanylcyclohexane
MOLECULAR FORMULA: C6H11Br
MOLECULAR WEIGHT: 163.05554
SMILES: C1CCC(CC1)Br
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Product OPENEYE NAME: bromobenzene
CAS Name: bromobenzene
IUPAC NAME: bromobenzene
SYSTEMATIC NAME: bromanylbenzene
MOLECULAR FORMULA: C6H5Br
MOLECULAR WEIGHT: 157.0079
SMILES: C1=CC=C(C=C1)Br
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Product OPENEYE NAME: methylcyclohexane
CAS Name: methylcyclohexane
IUPAC NAME: methylcyclohexane
SYSTEMATIC NAME: methylcyclohexane
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CC1CCCCC1
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Product OPENEYE NAME: 4-methylpyridine
CAS Name: 4-methylpyridine
IUPAC NAME: 4-methylpyridine
SYSTEMATIC NAME: 4-methylpyridine
MOLECULAR FORMULA: C6H7N
MOLECULAR WEIGHT: 93.12648
SMILES: CC1=CC=NC=C1
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Product OPENEYE NAME: chlorobenzene
CAS Name: chlorobenzene
IUPAC NAME: chlorobenzene
SYSTEMATIC NAME: chloranylbenzene
MOLECULAR FORMULA: C6H5Cl
MOLECULAR WEIGHT: 112.5569
SMILES: C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: cyclohexanamine
CAS Name: cyclohexanamine
IUPAC NAME: cyclohexanamine
SYSTEMATIC NAME: cyclohexanamine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: C1CCC(CC1)N
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Product OPENEYE NAME: cyclohexanol
CAS Name: cyclohexanol
IUPAC NAME: cyclohexanol
SYSTEMATIC NAME: cyclohexanol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: C1CCC(CC1)O
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Product OPENEYE NAME: cyclohexanone
CAS Name: cyclohexanone
IUPAC NAME: cyclohexanone
SYSTEMATIC NAME: cyclohexanone
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CCC(=O)CC1
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Product OPENEYE NAME: pyran-4-one
CAS Name: 4-pyranone
IUPAC NAME: pyran-4-one
SYSTEMATIC NAME: pyran-4-one
MOLECULAR FORMULA: C5H4O2
MOLECULAR WEIGHT: 96.08406
SMILES: C1=COC=CC1=O
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Product OPENEYE NAME: benzenethiol
CAS Name: benzenethiol
IUPAC NAME: benzenethiol
SYSTEMATIC NAME: benzenethiol
MOLECULAR FORMULA: C6H6S
MOLECULAR WEIGHT: 110.17684
SMILES: C1=CC=C(C=C1)S
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Product OPENEYE NAME: 3-methylpyridine
CAS Name: 3-methylpyridine
IUPAC NAME: 3-methylpyridine
SYSTEMATIC NAME: 3-methylpyridine
MOLECULAR FORMULA: C6H7N
MOLECULAR WEIGHT: 93.12648
SMILES: CC1=CN=CC=C1
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Product OPENEYE NAME: pyridin-3-ol
CAS Name: 3-pyridinol
IUPAC NAME: pyridin-3-ol
SYSTEMATIC NAME: pyridin-3-ol
MOLECULAR FORMULA: C5H5NO
MOLECULAR WEIGHT: 95.0993
SMILES: C1=CC(=CN=C1)O
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Product OPENEYE NAME: 4-methylmorpholine
CAS Name: 4-methylmorpholine
IUPAC NAME: 4-methylmorpholine
SYSTEMATIC NAME: 4-methylmorpholine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CN1CCOCC1
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Product OPENEYE NAME: 2-bromopyridine
CAS Name: 2-bromopyridine
IUPAC NAME: 2-bromopyridine
SYSTEMATIC NAME: 2-bromanylpyridine
MOLECULAR FORMULA: C5H4BrN
MOLECULAR WEIGHT: 157.99596
SMILES: C1=CC=NC(=C1)Br
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Product OPENEYE NAME: 2-methylpiperidine
CAS Name: 2-methylpiperidine
IUPAC NAME: 2-methylpiperidine
SYSTEMATIC NAME: 2-methylpiperidine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC1CCCCN1
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Product OPENEYE NAME: 2-methylpyridine
CAS Name: 2-methylpyridine
IUPAC NAME: 2-methylpyridine
SYSTEMATIC NAME: 2-methylpyridine
MOLECULAR FORMULA: C6H7N
MOLECULAR WEIGHT: 93.12648
SMILES: CC1=CC=CC=N1
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Product OPENEYE NAME: 2-methylpyrazine
CAS Name: 2-methylpyrazine
IUPAC NAME: 2-methylpyrazine
SYSTEMATIC NAME: 2-methylpyrazine
MOLECULAR FORMULA: C5H6N2
MOLECULAR WEIGHT: 94.11454
SMILES: CC1=NC=CN=C1
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Product OPENEYE NAME: 2-chloropyridine
CAS Name: 2-chloropyridine
IUPAC NAME: 2-chloropyridine
SYSTEMATIC NAME: 2-chloranylpyridine
MOLECULAR FORMULA: C5H4ClN
MOLECULAR WEIGHT: 113.54496
SMILES: C1=CC=NC(=C1)Cl
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Product OPENEYE NAME: pyrimidin-2-amine
CAS Name: 2-pyrimidinamine
IUPAC NAME: pyrimidin-2-amine
SYSTEMATIC NAME: pyrimidin-2-amine
MOLECULAR FORMULA: C4H5N3
MOLECULAR WEIGHT: 95.1026
SMILES: C1=CN=C(N=C1)N
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Product OPENEYE NAME: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-[2-[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C14H22O6
MOLECULAR WEIGHT: 286.32088
SMILES: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C
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Product OPENEYE NAME: 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-[2-[2-[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H26O7
MOLECULAR WEIGHT: 330.37344
SMILES: CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C
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