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494751-27-8


 

2,5,8,11-TETRAMETHYL-1,4,7,10-TETRAAZACYCLODODECANE
CAS 494751-27-8
ID 17001973

Molecular Formula   C12H28N4
Molecular Weight     228.38
Smile Code               CC1NCC(NCC(NCC(NC1)C)C)C

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78033-08-6


 

3-ISOBUTYL-8-(METHOXYMETHYL)-1-METHYL-1H-PURINE-2,6(3H,7H)-DIONE
CAS 78033-08-6
ID 17001972

Molecular Formula   C12H18N4O3
Molecular Weight     266.30
Smile Code               C(C(C)C)N1C(N(C(C=2NC(=NC12)COC)=O)C)=O

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1748-81-8


 

CARABRON
CAS 1748-81-8
ID 17001971

Molecular Formula   C15H20O3
Molecular Weight     248.32
Smile Code               CC(=O)CCC1C2C1(CC3C(C2)C(=C)C(=O)O3)C

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1372784-40-1


 

5-((4-CHLOROPHENETHYL)SULFONYL)-1-PHENYL-1H-TETRAZOLE
CAS 1372784-40-1
ID 17001970

Molecular Formula   C15H13ClN4O2S
Molecular Weight     348.81
Smile Code               ClC1=CC=C(CCS(=O)(=O)C2=NN=NN2C2=CC=CC=C2)C=C1

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565460-15-3


 

CYCLOHEXYL [1,1′-BIPHENYL]-3-YLCARBAMATE
CAS 565460-15-3
ID 17001969

Molecular Formula   C19H21NO2
Molecular Weight     295.38
Smile Code               C1(=CC(=CC=C1)NC(OC1CCCCC1)=O)C1=CC=CC=C1

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19870-46-3


 

1,3-O-DICAFFEOYLQUINIC ACID
CAS 19870-46-3
ID 17001968

Molecular Formula   C25H24O12
Molecular Weight     516.45
Smile Code               C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O

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603965-77-1


 

ETHYL 2-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBOXYLATE
CAS 603965-77-1
ID 17001967

Molecular Formula   C11H16N4O2
Molecular Weight     236.27
Smile Code               N1(CCNCC1)C1=NC=C(C=N1)C(=O)OCC

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103882-87-7


 

2′-DEOXY-2′,2′-DIFLUORO-GUANOSINE
CAS 103882-87-7
ID 17001966

Molecular Formula   C10H11F2N5O4
Molecular Weight     303.22
Smile Code               FC1([C@@H](O[C@@H]([C@H]1O)CO)N1C=NC=2C(=O)NC(N)=NC12)F

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85532-77-0


 

SAFFLOR YELLOW A
CAS 85532-77-0
ID 17001965

Molecular Formula   C27H30O16
Molecular Weight     610.52
Smile Code               C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(O)OC4C(C(C(C(O4)CO)O)O)O)OC5C3OC(C(C5O)O)CO)O)O

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28342-31-6


 

14-ETHOXY-13-METHYL-13,14-DIHYDRO-[1,3]DIOXOLO[4′,5′:4,5]BENZO[1,2-C][1,3]DIOXOLO[4,5-I]PHENANTHRIDINE
CAS 28342-31-6
ID 17001964

Molecular Formula   C22H19NO5
Molecular Weight     377.39
Smile Code               C(C)OC1N(C=2C3=C(C=CC2C2=CC=C4C(=C12)OCO4)C=C4C(=C3)OCO4)C

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944238-89-5


 

(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE
CAS 944238-89-5
ID 17001963

Molecular Formula   C11H20N2O2
Molecular Weight     212.29
Smile Code               [C@@H]12N(C[C@@H](NC1)CC2)C(=O)OC(C)(C)C

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944086-67-3


 

(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
CAS 944086-67-3
ID 17001962

Molecular Formula   C11H21ClN2O2
Molecular Weight     248.75
Smile Code               Cl.[C@@H]12N(C[C@@H](NC1)CC2)C(=O)OC(C)(C)C

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180637-89-2


 

(R)-3-((1-METHYLPYRROLIDIN-2-YL)METHYL)-5-(2-(PHENYLSULFONYL)VINYL)-1H-INDOLE
CAS 180637-89-2
ID 17001961

Molecular Formula   C22H24N2O2S
Molecular Weight     380.51
Smile Code               CN1[C@H](CCC1)CC1=CNC2=CC=C(C=C12)C=CS(=O)(=O)C2=CC=CC=C2

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37793-53-6


 

4-(N-((2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL)METHYL)-2,2,2-TRIFLUOROACETAMIDO)BENZOIC ACID
CAS 37793-53-6
ID 17001960

Molecular Formula   C16H11F3N6O4
Molecular Weight     408.29
Smile Code               NC1=NC2=NC=C(N=C2C(N1)=O)CN(C(C(F)(F)F)=O)C1=CC=C(C(=O)O)C=C1

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2322-38-5


 

2,3,5,6-TETRACHLOROPYRIDIN-4-OL
CAS 2322-38-5
ID 17001959

Molecular Formula   C5HCl4NO
Molecular Weight     232.88
Smile Code               ClC1=NC(=C(C(=C1Cl)O)Cl)Cl

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53906-54-0


 

(3AR,4R,5R,6AS)-4-((R,E)-4-(3-CHLOROPHENOXY)-3-HYDROXYBUT-1-EN-1-YL)-5-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
CAS 53906-54-0
ID 17001958

Molecular Formula   C17H19ClO5
Molecular Weight     338.78
Smile Code               C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)C=C[C@H](COC3=CC(=CC=C3)Cl)O)O

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176721-03-2


 

1-(2,3-DIMETHYLPHENYL)-1-(1-TRITYL-1H-IMIDAZOL-5-YL)ETHANOL
CAS 176721-03-2
ID 17001957

Molecular Formula   C32H30N2O
Molecular Weight     458.59
Smile Code               CC1=C(C=CC=C1C)C(C)(O)C1=CN=CN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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176721-02-1


 

(2,3-DIMETHYLPHENYL)(1-TRITYL-1H-IMIDAZOL-5-YL)METHANONE
CAS 176721-02-1
ID 17001956

Molecular Formula   C31H26N2O
Molecular Weight     442.55
Smile Code               CC1=C(C=CC=C1C)C(=O)C1=CN=CN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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1355180-44-7


 

TERT-BUTYL (6-FLUORO-2-FORMYLQUINOLIN-8-YL)CARBAMATE
CAS 1355180-44-7
ID 17001955

Molecular Formula   C15H15FN2O3
Molecular Weight     290.29
Smile Code               FC=1C=C2C=CC(=NC2=C(C1)NC(OC(C)(C)C)=O)C=O

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459836-92-1


 

3,6-DIFLUORO-2-METHYLBENZOIC ACID
CAS 459836-92-1
ID 17001954

Molecular Formula   C8H6F2O2
Molecular Weight     172.13
Smile Code               FC=1C(=C(C(=O)O)C(=CC1)F)C

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856180-58-0


 

3-CHLOROBENZOFURAN-2-CARBOXYLIC ACID
CAS 856180-58-0
ID 17001953

Molecular Formula   C9H5ClO3
Molecular Weight     196.59
Smile Code               ClC1=C(OC2=C1C=CC=C2)C(=O)O

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18630-94-9


 

4-METHYLISOQUINOLINE-1,3(2H,4H)-DIONE
CAS 18630-94-9
ID 17001952

Molecular Formula   C10H9NO2
Molecular Weight     175.18
Smile Code               CC1C(NC(C2=CC=CC=C12)=O)=O

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173606-50-3


 

10-((TERT-BUTOXYCARBONYL)AMINO)DECANOIC ACID
CAS 173606-50-3
ID 17001951

Molecular Formula   C15H29NO4
Molecular Weight     287.40
Smile Code               C(C)(C)(C)OC(=O)NCCCCCCCCCC(=O)O

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201046-36-8


 

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-5-(PYRAZINE-2-CARBOXAMIDO)PENTANOIC ACID
CAS 201046-36-8
ID 17001950

Molecular Formula   C15H22N4O5
Molecular Weight     338.36
Smile Code               C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CCCNC(=O)C1=NC=CN=C1

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139926-23-1


 

3-ETHOXYTHIOPHENE-2-CARBOXYLIC ACID
CAS 139926-23-1
ID 17001949

Molecular Formula   C7H8O3S
Molecular Weight     172.20
Smile Code               C(C)OC1=C(SC=C1)C(=O)O

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