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Provide the SMILES representation for the building block token <BB_500>.
|
Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21
|
|
What is the building block token for the following molecule?
|
Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21
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<BB_500>
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What is the molecular formula for <BB_500>?
|
The molecular formula for <BB_500> (Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21) is C7H12ClNO2.
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Describe the ring structures in building block <BB_500>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_500>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_500>.
|
**Token:** <BB_500>
**SMILES:** Cl.O=C(O)[C@H]1[C@@H]2CCNC[C@@H]21
**Molecular Formula:** C7H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_501>.
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O=C(O)C1CCCN1c1ccccc1
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What is the building block token for the following molecule?
|
O=C(O)C1CCCN1c1ccccc1
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<BB_501>
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What is the molecular formula for <BB_501>?
|
The molecular formula for <BB_501> (O=C(O)C1CCCN1c1ccccc1) is C11H13NO2.
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Describe the ring structures in building block <BB_501>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_501>.
|
The molecule contains the following groups: Carboxylic Acid, Tertiary Amine.
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Provide a comprehensive chemical profile for the building block <BB_501>.
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**Token:** <BB_501>
**SMILES:** O=C(O)C1CCCN1c1ccccc1
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine
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Provide the SMILES representation for the building block token <BB_502>.
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Cl.OCCNC1CCCSC1
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What is the building block token for the following molecule?
|
Cl.OCCNC1CCCSC1
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<BB_502>
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What is the molecular formula for <BB_502>?
|
The molecular formula for <BB_502> (Cl.OCCNC1CCCSC1) is C7H16ClNOS.
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Describe the ring structures in building block <BB_502>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_502>.
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The molecule contains the following groups: Secondary Amine, Alcohol, Sulfide, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_502>.
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**Token:** <BB_502>
**SMILES:** Cl.OCCNC1CCCSC1
**Molecular Formula:** C7H16ClNOS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Sulfide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_503>.
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CC(=O)c1cc(Br)ccc1N
|
|
What is the building block token for the following molecule?
|
CC(=O)c1cc(Br)ccc1N
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<BB_503>
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What is the molecular formula for <BB_503>?
|
The molecular formula for <BB_503> (CC(=O)c1cc(Br)ccc1N) is C8H8BrNO.
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Describe the ring structures in building block <BB_503>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_503>.
|
The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_503>.
|
**Token:** <BB_503>
**SMILES:** CC(=O)c1cc(Br)ccc1N
**Molecular Formula:** C8H8BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_504>.
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[N-]=[N+]=NCc1ccnc(F)c1Cl
|
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What is the building block token for the following molecule?
|
[N-]=[N+]=NCc1ccnc(F)c1Cl
|
<BB_504>
|
What is the molecular formula for <BB_504>?
|
The molecular formula for <BB_504> ([N-]=[N+]=NCc1ccnc(F)c1Cl) is C6H4ClFN4.
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Describe the ring structures in building block <BB_504>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_504>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_504>.
|
**Token:** <BB_504>
**SMILES:** [N-]=[N+]=NCc1ccnc(F)c1Cl
**Molecular Formula:** C6H4ClFN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_505>.
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Cc1cc(NC(N)=O)ccc1Br
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What is the building block token for the following molecule?
|
Cc1cc(NC(N)=O)ccc1Br
|
<BB_505>
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What is the molecular formula for <BB_505>?
|
The molecular formula for <BB_505> (Cc1cc(NC(N)=O)ccc1Br) is C8H9BrN2O.
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Describe the ring structures in building block <BB_505>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_505>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_505>.
|
**Token:** <BB_505>
**SMILES:** Cc1cc(NC(N)=O)ccc1Br
**Molecular Formula:** C8H9BrN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_506>.
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C=C(NC(C)=O)C(=O)NCc1ccccc1
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What is the building block token for the following molecule?
|
C=C(NC(C)=O)C(=O)NCc1ccccc1
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<BB_506>
|
What is the molecular formula for <BB_506>?
|
The molecular formula for <BB_506> (C=C(NC(C)=O)C(=O)NCc1ccccc1) is C12H14N2O2.
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Describe the ring structures in building block <BB_506>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_506>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_506>.
|
**Token:** <BB_506>
**SMILES:** C=C(NC(C)=O)C(=O)NCc1ccccc1
**Molecular Formula:** C12H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide
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|
Provide the SMILES representation for the building block token <BB_507>.
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CCOC(=O)C1CC(Br)=NO1
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|
What is the building block token for the following molecule?
|
CCOC(=O)C1CC(Br)=NO1
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<BB_507>
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What is the molecular formula for <BB_507>?
|
The molecular formula for <BB_507> (CCOC(=O)C1CC(Br)=NO1) is C6H8BrNO3.
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Describe the ring structures in building block <BB_507>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_507>.
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The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_507>.
|
**Token:** <BB_507>
**SMILES:** CCOC(=O)C1CC(Br)=NO1
**Molecular Formula:** C6H8BrNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_508>.
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N#CC1CCN(C(=O)Cl)CC1
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What is the building block token for the following molecule?
|
N#CC1CCN(C(=O)Cl)CC1
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<BB_508>
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What is the molecular formula for <BB_508>?
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The molecular formula for <BB_508> (N#CC1CCN(C(=O)Cl)CC1) is C7H9ClN2O.
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Describe the ring structures in building block <BB_508>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_508>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_508>.
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**Token:** <BB_508>
**SMILES:** N#CC1CCN(C(=O)Cl)CC1
**Molecular Formula:** C7H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_509>.
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CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C
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What is the building block token for the following molecule?
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CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C
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<BB_509>
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What is the molecular formula for <BB_509>?
|
The molecular formula for <BB_509> (CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C) is C12H24N4O2.
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Describe the ring structures in building block <BB_509>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_509>.
|
The molecule contains the following groups: Amide, Ether.
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Provide a comprehensive chemical profile for the building block <BB_509>.
|
**Token:** <BB_509>
**SMILES:** CN(CCCCCCN=[N+]=[N-])C(=O)OC(C)(C)C
**Molecular Formula:** C12H24N4O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether
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Provide the SMILES representation for the building block token <BB_510>.
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COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
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What is the building block token for the following molecule?
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COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
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<BB_510>
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What is the molecular formula for <BB_510>?
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The molecular formula for <BB_510> (COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C) is C10H11N3O4S.
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Describe the ring structures in building block <BB_510>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_510>.
|
The molecule contains the following groups: Amine, Ester, Ether.
|
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Provide a comprehensive chemical profile for the building block <BB_510>.
|
**Token:** <BB_510>
**SMILES:** COC(=O)c1sc2c(c1N)c(=O)n(C)c(=O)n2C
**Molecular Formula:** C10H11N3O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether
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Provide the SMILES representation for the building block token <BB_511>.
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C=CC1=CCCN(C(=O)C(F)(F)F)C1
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What is the building block token for the following molecule?
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C=CC1=CCCN(C(=O)C(F)(F)F)C1
|
<BB_511>
|
What is the molecular formula for <BB_511>?
|
The molecular formula for <BB_511> (C=CC1=CCCN(C(=O)C(F)(F)F)C1) is C9H10F3NO.
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Describe the ring structures in building block <BB_511>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_511>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_511>.
|
**Token:** <BB_511>
**SMILES:** C=CC1=CCCN(C(=O)C(F)(F)F)C1
**Molecular Formula:** C9H10F3NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_512>.
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NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1
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What is the building block token for the following molecule?
|
NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1
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<BB_512>
|
What is the molecular formula for <BB_512>?
|
The molecular formula for <BB_512> (NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1) is C7H5BrClNO4S.
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Describe the ring structures in building block <BB_512>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_512>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_512>.
|
**Token:** <BB_512>
**SMILES:** NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1
**Molecular Formula:** C7H5BrClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide
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Provide the SMILES representation for the building block token <BB_513>.
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Nc1cnc(-c2ncccn2)nc1
|
|
What is the building block token for the following molecule?
|
Nc1cnc(-c2ncccn2)nc1
|
<BB_513>
|
What is the molecular formula for <BB_513>?
|
The molecular formula for <BB_513> (Nc1cnc(-c2ncccn2)nc1) is C8H7N5.
|
|
Describe the ring structures in building block <BB_513>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_513>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_513>.
|
**Token:** <BB_513>
**SMILES:** Nc1cnc(-c2ncccn2)nc1
**Molecular Formula:** C8H7N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_514>.
|
CCOC(=O)COC(C)C
|
|
What is the building block token for the following molecule?
|
CCOC(=O)COC(C)C
|
<BB_514>
|
What is the molecular formula for <BB_514>?
|
The molecular formula for <BB_514> (CCOC(=O)COC(C)C) is C7H14O3.
|
|
Describe the ring structures in building block <BB_514>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_514>.
|
The molecule contains the following groups: Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_514>.
|
**Token:** <BB_514>
**SMILES:** CCOC(=O)COC(C)C
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_515>.
|
CC(C)(O)CNN.Cl
|
|
What is the building block token for the following molecule?
|
CC(C)(O)CNN.Cl
|
<BB_515>
|
What is the molecular formula for <BB_515>?
|
The molecular formula for <BB_515> (CC(C)(O)CNN.Cl) is C4H13ClN2O.
|
|
Describe the ring structures in building block <BB_515>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_515>.
|
The molecule contains the following groups: Amine, Secondary Amine, Alcohol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_515>.
|
**Token:** <BB_515>
**SMILES:** CC(C)(O)CNN.Cl
**Molecular Formula:** C4H13ClN2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Alcohol, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_516>.
|
O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F
|
|
What is the building block token for the following molecule?
|
O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F
|
<BB_516>
|
What is the molecular formula for <BB_516>?
|
The molecular formula for <BB_516> (O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F) is C7H7F3N4O2.
|
|
Describe the ring structures in building block <BB_516>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
|
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