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Provide the SMILES representation for the building block token <BB_450>.
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Cc1nc2ccccc2n1C(F)F
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What is the building block token for the following molecule?
|
Cc1nc2ccccc2n1C(F)F
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<BB_450>
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What is the molecular formula for <BB_450>?
|
The molecular formula for <BB_450> (Cc1nc2ccccc2n1C(F)F) is C9H8F2N2.
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Describe the ring structures in building block <BB_450>.
|
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_450>.
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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_450>.
|
**Token:** <BB_450>
**SMILES:** Cc1nc2ccccc2n1C(F)F
**Molecular Formula:** C9H8F2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_451>.
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O=C(NC1CCCC1C(=O)O)c1nnn[nH]1
|
|
What is the building block token for the following molecule?
|
O=C(NC1CCCC1C(=O)O)c1nnn[nH]1
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<BB_451>
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What is the molecular formula for <BB_451>?
|
The molecular formula for <BB_451> (O=C(NC1CCCC1C(=O)O)c1nnn[nH]1) is C8H11N5O3.
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Describe the ring structures in building block <BB_451>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
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List the primary functional groups present in <BB_451>.
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The molecule contains the following groups: Carboxylic Acid, Amide.
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Provide a comprehensive chemical profile for the building block <BB_451>.
|
**Token:** <BB_451>
**SMILES:** O=C(NC1CCCC1C(=O)O)c1nnn[nH]1
**Molecular Formula:** C8H11N5O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide
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Provide the SMILES representation for the building block token <BB_452>.
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C#CCN1CCOC[C@H]1C
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What is the building block token for the following molecule?
|
C#CCN1CCOC[C@H]1C
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<BB_452>
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What is the molecular formula for <BB_452>?
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The molecular formula for <BB_452> (C#CCN1CCOC[C@H]1C) is C8H13NO.
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Describe the ring structures in building block <BB_452>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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List the primary functional groups present in <BB_452>.
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The molecule contains the following groups: Tertiary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_452>.
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**Token:** <BB_452>
**SMILES:** C#CCN1CCOC[C@H]1C
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether
|
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Provide the SMILES representation for the building block token <BB_453>.
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O[C@@H]1COC[C@H]1c1ccc(Br)cc1
|
|
What is the building block token for the following molecule?
|
O[C@@H]1COC[C@H]1c1ccc(Br)cc1
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<BB_453>
|
What is the molecular formula for <BB_453>?
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The molecular formula for <BB_453> (O[C@@H]1COC[C@H]1c1ccc(Br)cc1) is C10H11BrO2.
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Describe the ring structures in building block <BB_453>.
|
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_453>.
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The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_453>.
|
**Token:** <BB_453>
**SMILES:** O[C@@H]1COC[C@H]1c1ccc(Br)cc1
**Molecular Formula:** C10H11BrO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_454>.
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CC(Cl)CCC#N
|
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What is the building block token for the following molecule?
|
CC(Cl)CCC#N
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<BB_454>
|
What is the molecular formula for <BB_454>?
|
The molecular formula for <BB_454> (CC(Cl)CCC#N) is C5H8ClN.
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Describe the ring structures in building block <BB_454>.
|
The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_454>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_454>.
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**Token:** <BB_454>
**SMILES:** CC(Cl)CCC#N
**Molecular Formula:** C5H8ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
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Provide the SMILES representation for the building block token <BB_455>.
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O=C1CCC(=O)c2ccccc2N1
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What is the building block token for the following molecule?
|
O=C1CCC(=O)c2ccccc2N1
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<BB_455>
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What is the molecular formula for <BB_455>?
|
The molecular formula for <BB_455> (O=C1CCC(=O)c2ccccc2N1) is C10H9NO2.
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Describe the ring structures in building block <BB_455>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_455>.
|
The molecule contains the following groups: Amide, Ketone.
|
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Provide a comprehensive chemical profile for the building block <BB_455>.
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**Token:** <BB_455>
**SMILES:** O=C1CCC(=O)c2ccccc2N1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone
|
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Provide the SMILES representation for the building block token <BB_456>.
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COc1ccc(Cl)cc1CCl
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What is the building block token for the following molecule?
|
COc1ccc(Cl)cc1CCl
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<BB_456>
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What is the molecular formula for <BB_456>?
|
The molecular formula for <BB_456> (COc1ccc(Cl)cc1CCl) is C8H8Cl2O.
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Describe the ring structures in building block <BB_456>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_456>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_456>.
|
**Token:** <BB_456>
**SMILES:** COc1ccc(Cl)cc1CCl
**Molecular Formula:** C8H8Cl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_457>.
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CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
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What is the building block token for the following molecule?
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CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
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<BB_457>
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What is the molecular formula for <BB_457>?
|
The molecular formula for <BB_457> (CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O) is C14H19NO4.
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Describe the ring structures in building block <BB_457>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
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List the primary functional groups present in <BB_457>.
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The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
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Provide a comprehensive chemical profile for the building block <BB_457>.
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**Token:** <BB_457>
**SMILES:** CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O
**Molecular Formula:** C14H19NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether
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Provide the SMILES representation for the building block token <BB_458>.
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C[C@@H](N)c1cncs1.Cl.Cl
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What is the building block token for the following molecule?
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C[C@@H](N)c1cncs1.Cl.Cl
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<BB_458>
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What is the molecular formula for <BB_458>?
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The molecular formula for <BB_458> (C[C@@H](N)c1cncs1.Cl.Cl) is C5H10Cl2N2S.
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Describe the ring structures in building block <BB_458>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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List the primary functional groups present in <BB_458>.
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The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_458>.
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**Token:** <BB_458>
**SMILES:** C[C@@H](N)c1cncs1.Cl.Cl
**Molecular Formula:** C5H10Cl2N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_459>.
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Cc1ccc(NCC(F)F)cc1
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What is the building block token for the following molecule?
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Cc1ccc(NCC(F)F)cc1
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<BB_459>
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What is the molecular formula for <BB_459>?
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The molecular formula for <BB_459> (Cc1ccc(NCC(F)F)cc1) is C9H11F2N.
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Describe the ring structures in building block <BB_459>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_459>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_459>.
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**Token:** <BB_459>
**SMILES:** Cc1ccc(NCC(F)F)cc1
**Molecular Formula:** C9H11F2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_460>.
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COc1ccccc1-c1noc(CCl)n1
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What is the building block token for the following molecule?
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COc1ccccc1-c1noc(CCl)n1
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<BB_460>
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What is the molecular formula for <BB_460>?
|
The molecular formula for <BB_460> (COc1ccccc1-c1noc(CCl)n1) is C10H9ClN2O2.
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Describe the ring structures in building block <BB_460>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
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List the primary functional groups present in <BB_460>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_460>.
|
**Token:** <BB_460>
**SMILES:** COc1ccccc1-c1noc(CCl)n1
**Molecular Formula:** C10H9ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_461>.
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Cl.N[C@H](CCc1ccccc1)CC(=O)O
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What is the building block token for the following molecule?
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Cl.N[C@H](CCc1ccccc1)CC(=O)O
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<BB_461>
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What is the molecular formula for <BB_461>?
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The molecular formula for <BB_461> (Cl.N[C@H](CCc1ccccc1)CC(=O)O) is C11H16ClNO2.
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Describe the ring structures in building block <BB_461>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_461>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_461>.
|
**Token:** <BB_461>
**SMILES:** Cl.N[C@H](CCc1ccccc1)CC(=O)O
**Molecular Formula:** C11H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_462>.
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NNC(=O)c1cnc[nH]1
|
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What is the building block token for the following molecule?
|
NNC(=O)c1cnc[nH]1
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<BB_462>
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What is the molecular formula for <BB_462>?
|
The molecular formula for <BB_462> (NNC(=O)c1cnc[nH]1) is C4H6N4O.
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Describe the ring structures in building block <BB_462>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_462>.
|
The molecule contains the following groups: Amine, Amide.
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Provide a comprehensive chemical profile for the building block <BB_462>.
|
**Token:** <BB_462>
**SMILES:** NNC(=O)c1cnc[nH]1
**Molecular Formula:** C4H6N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide
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Provide the SMILES representation for the building block token <BB_463>.
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Cl.N[C@H]1C[C@H](c2ccon2)C1
|
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What is the building block token for the following molecule?
|
Cl.N[C@H]1C[C@H](c2ccon2)C1
|
<BB_463>
|
What is the molecular formula for <BB_463>?
|
The molecular formula for <BB_463> (Cl.N[C@H]1C[C@H](c2ccon2)C1) is C7H11ClN2O.
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Describe the ring structures in building block <BB_463>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_463>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_463>.
|
**Token:** <BB_463>
**SMILES:** Cl.N[C@H]1C[C@H](c2ccon2)C1
**Molecular Formula:** C7H11ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_464>.
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C=Cc1ccc(C(=O)OC)nc1
|
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What is the building block token for the following molecule?
|
C=Cc1ccc(C(=O)OC)nc1
|
<BB_464>
|
What is the molecular formula for <BB_464>?
|
The molecular formula for <BB_464> (C=Cc1ccc(C(=O)OC)nc1) is C9H9NO2.
|
|
Describe the ring structures in building block <BB_464>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_464>.
|
The molecule contains the following groups: Ester, Ether.
|
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Provide a comprehensive chemical profile for the building block <BB_464>.
|
**Token:** <BB_464>
**SMILES:** C=Cc1ccc(C(=O)OC)nc1
**Molecular Formula:** C9H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
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Provide the SMILES representation for the building block token <BB_465>.
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COC(=O)C(CO)c1ccccc1
|
|
What is the building block token for the following molecule?
|
COC(=O)C(CO)c1ccccc1
|
<BB_465>
|
What is the molecular formula for <BB_465>?
|
The molecular formula for <BB_465> (COC(=O)C(CO)c1ccccc1) is C10H12O3.
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Describe the ring structures in building block <BB_465>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_465>.
|
The molecule contains the following groups: Ester, Alcohol, Ether.
|
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Provide a comprehensive chemical profile for the building block <BB_465>.
|
**Token:** <BB_465>
**SMILES:** COC(=O)C(CO)c1ccccc1
**Molecular Formula:** C10H12O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether
|
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Provide the SMILES representation for the building block token <BB_466>.
|
Cn1ncc(C#N)c1F
|
|
What is the building block token for the following molecule?
|
Cn1ncc(C#N)c1F
|
<BB_466>
|
What is the molecular formula for <BB_466>?
|
The molecular formula for <BB_466> (Cn1ncc(C#N)c1F) is C5H4FN3.
|
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Describe the ring structures in building block <BB_466>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
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