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List the primary functional groups present in <BB_416>.
|
The molecule contains the following groups: Ester, Ether, Nitrile.
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|
Provide a comprehensive chemical profile for the building block <BB_416>.
|
**Token:** <BB_416>
**SMILES:** CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1
**Molecular Formula:** C13H12N4O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether, Nitrile
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|
Provide the SMILES representation for the building block token <BB_417>.
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CCCSc1ncc([N+](=O)[O-])c(Cl)n1
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What is the building block token for the following molecule?
|
CCCSc1ncc([N+](=O)[O-])c(Cl)n1
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<BB_417>
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What is the molecular formula for <BB_417>?
|
The molecular formula for <BB_417> (CCCSc1ncc([N+](=O)[O-])c(Cl)n1) is C7H8ClN3O2S.
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|
Describe the ring structures in building block <BB_417>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_417>.
|
The molecule contains the following groups: Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I), Nitro.
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Provide a comprehensive chemical profile for the building block <BB_417>.
|
**Token:** <BB_417>
**SMILES:** CCCSc1ncc([N+](=O)[O-])c(Cl)n1
**Molecular Formula:** C7H8ClN3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I), Nitro
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Provide the SMILES representation for the building block token <BB_418>.
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Nc1ncc(Br)c(OCC(F)(F)F)n1
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|
What is the building block token for the following molecule?
|
Nc1ncc(Br)c(OCC(F)(F)F)n1
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<BB_418>
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What is the molecular formula for <BB_418>?
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The molecular formula for <BB_418> (Nc1ncc(Br)c(OCC(F)(F)F)n1) is C6H5BrF3N3O.
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Describe the ring structures in building block <BB_418>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_418>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_418>.
|
**Token:** <BB_418>
**SMILES:** Nc1ncc(Br)c(OCC(F)(F)F)n1
**Molecular Formula:** C6H5BrF3N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_419>.
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COC(=O)c1nn(C)c2c1CCNC2.Cl
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|
What is the building block token for the following molecule?
|
COC(=O)c1nn(C)c2c1CCNC2.Cl
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<BB_419>
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What is the molecular formula for <BB_419>?
|
The molecular formula for <BB_419> (COC(=O)c1nn(C)c2c1CCNC2.Cl) is C9H14ClN3O2.
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Describe the ring structures in building block <BB_419>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_419>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I).
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|
Provide a comprehensive chemical profile for the building block <BB_419>.
|
**Token:** <BB_419>
**SMILES:** COC(=O)c1nn(C)c2c1CCNC2.Cl
**Molecular Formula:** C9H14ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_420>.
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Cl.Cl.NNCCC1CC1
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|
What is the building block token for the following molecule?
|
Cl.Cl.NNCCC1CC1
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<BB_420>
|
What is the molecular formula for <BB_420>?
|
The molecular formula for <BB_420> (Cl.Cl.NNCCC1CC1) is C5H14Cl2N2.
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|
Describe the ring structures in building block <BB_420>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_420>.
|
The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_420>.
|
**Token:** <BB_420>
**SMILES:** Cl.Cl.NNCCC1CC1
**Molecular Formula:** C5H14Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_421>.
|
CCc1n[nH]c(Cl)c1C(=O)O
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|
What is the building block token for the following molecule?
|
CCc1n[nH]c(Cl)c1C(=O)O
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<BB_421>
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What is the molecular formula for <BB_421>?
|
The molecular formula for <BB_421> (CCc1n[nH]c(Cl)c1C(=O)O) is C6H7ClN2O2.
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Describe the ring structures in building block <BB_421>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_421>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_421>.
|
**Token:** <BB_421>
**SMILES:** CCc1n[nH]c(Cl)c1C(=O)O
**Molecular Formula:** C6H7ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_422>.
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OCc1nnc2n1CCCC2
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|
What is the building block token for the following molecule?
|
OCc1nnc2n1CCCC2
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<BB_422>
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What is the molecular formula for <BB_422>?
|
The molecular formula for <BB_422> (OCc1nnc2n1CCCC2) is C7H11N3O.
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|
Describe the ring structures in building block <BB_422>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_422>.
|
The molecule contains the following groups: Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_422>.
|
**Token:** <BB_422>
**SMILES:** OCc1nnc2n1CCCC2
**Molecular Formula:** C7H11N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Alcohol
|
|
Provide the SMILES representation for the building block token <BB_423>.
|
CC(C)(C)Cc1nc2ccccc2[nH]1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)Cc1nc2ccccc2[nH]1
|
<BB_423>
|
What is the molecular formula for <BB_423>?
|
The molecular formula for <BB_423> (CC(C)(C)Cc1nc2ccccc2[nH]1) is C12H16N2.
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Describe the ring structures in building block <BB_423>.
|
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_423>.
|
The molecule contains the following groups: None specific.
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Provide a comprehensive chemical profile for the building block <BB_423>.
|
**Token:** <BB_423>
**SMILES:** CC(C)(C)Cc1nc2ccccc2[nH]1
**Molecular Formula:** C12H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific
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|
Provide the SMILES representation for the building block token <BB_424>.
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Cc1c[nH]c2cc(Cl)ccc12
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|
What is the building block token for the following molecule?
|
Cc1c[nH]c2cc(Cl)ccc12
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<BB_424>
|
What is the molecular formula for <BB_424>?
|
The molecular formula for <BB_424> (Cc1c[nH]c2cc(Cl)ccc12) is C9H8ClN.
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Describe the ring structures in building block <BB_424>.
|
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_424>.
|
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_424>.
|
**Token:** <BB_424>
**SMILES:** Cc1c[nH]c2cc(Cl)ccc12
**Molecular Formula:** C9H8ClN
**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)
|
|
Provide the SMILES representation for the building block token <BB_425>.
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CCOc1ccc(Br)cc1CC(=O)O
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|
What is the building block token for the following molecule?
|
CCOc1ccc(Br)cc1CC(=O)O
|
<BB_425>
|
What is the molecular formula for <BB_425>?
|
The molecular formula for <BB_425> (CCOc1ccc(Br)cc1CC(=O)O) is C10H11BrO3.
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|
Describe the ring structures in building block <BB_425>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_425>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_425>.
|
**Token:** <BB_425>
**SMILES:** CCOc1ccc(Br)cc1CC(=O)O
**Molecular Formula:** C10H11BrO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_426>.
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CC1(C)CCNc2ccc(Cl)cc21
|
|
What is the building block token for the following molecule?
|
CC1(C)CCNc2ccc(Cl)cc21
|
<BB_426>
|
What is the molecular formula for <BB_426>?
|
The molecular formula for <BB_426> (CC1(C)CCNc2ccc(Cl)cc21) is C11H14ClN.
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Describe the ring structures in building block <BB_426>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_426>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_426>.
|
**Token:** <BB_426>
**SMILES:** CC1(C)CCNc2ccc(Cl)cc21
**Molecular Formula:** C11H14ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_427>.
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CC(C)(C)OC(=O)N1CCC1c1csc(N)n1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCC1c1csc(N)n1
|
<BB_427>
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What is the molecular formula for <BB_427>?
|
The molecular formula for <BB_427> (CC(C)(C)OC(=O)N1CCC1c1csc(N)n1) is C11H17N3O2S.
|
|
Describe the ring structures in building block <BB_427>.
|
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_427>.
|
The molecule contains the following groups: Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_427>.
|
**Token:** <BB_427>
**SMILES:** CC(C)(C)OC(=O)N1CCC1c1csc(N)n1
**Molecular Formula:** C11H17N3O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_428>.
|
CSC1(CO)CC1(C)C
|
|
What is the building block token for the following molecule?
|
CSC1(CO)CC1(C)C
|
<BB_428>
|
What is the molecular formula for <BB_428>?
|
The molecular formula for <BB_428> (CSC1(CO)CC1(C)C) is C7H14OS.
|
|
Describe the ring structures in building block <BB_428>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_428>.
|
The molecule contains the following groups: Alcohol, Sulfide.
|
|
Provide a comprehensive chemical profile for the building block <BB_428>.
|
**Token:** <BB_428>
**SMILES:** CSC1(CO)CC1(C)C
**Molecular Formula:** C7H14OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Sulfide
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|
Provide the SMILES representation for the building block token <BB_429>.
|
CCCn1c(S)nnc1Cc1ccccc1
|
|
What is the building block token for the following molecule?
|
CCCn1c(S)nnc1Cc1ccccc1
|
<BB_429>
|
What is the molecular formula for <BB_429>?
|
The molecular formula for <BB_429> (CCCn1c(S)nnc1Cc1ccccc1) is C12H15N3S.
|
|
Describe the ring structures in building block <BB_429>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_429>.
|
The molecule contains the following groups: Thiol.
|
|
Provide a comprehensive chemical profile for the building block <BB_429>.
|
**Token:** <BB_429>
**SMILES:** CCCn1c(S)nnc1Cc1ccccc1
**Molecular Formula:** C12H15N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol
|
|
Provide the SMILES representation for the building block token <BB_430>.
|
CC(C)Oc1ccc(N)cn1
|
|
What is the building block token for the following molecule?
|
CC(C)Oc1ccc(N)cn1
|
<BB_430>
|
What is the molecular formula for <BB_430>?
|
The molecular formula for <BB_430> (CC(C)Oc1ccc(N)cn1) is C8H12N2O.
|
|
Describe the ring structures in building block <BB_430>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_430>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_430>.
|
**Token:** <BB_430>
**SMILES:** CC(C)Oc1ccc(N)cn1
**Molecular Formula:** C8H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_431>.
|
[N-]=[N+]=Nc1cc(Br)ccc1C=O
|
|
What is the building block token for the following molecule?
|
[N-]=[N+]=Nc1cc(Br)ccc1C=O
|
<BB_431>
|
What is the molecular formula for <BB_431>?
|
The molecular formula for <BB_431> ([N-]=[N+]=Nc1cc(Br)ccc1C=O) is C7H4BrN3O.
|
|
Describe the ring structures in building block <BB_431>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_431>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_431>.
|
**Token:** <BB_431>
**SMILES:** [N-]=[N+]=Nc1cc(Br)ccc1C=O
**Molecular Formula:** C7H4BrN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_432>.
|
COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl
|
|
What is the building block token for the following molecule?
|
COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl
|
<BB_432>
|
What is the molecular formula for <BB_432>?
|
The molecular formula for <BB_432> (COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl) is C8H14ClNO2.
|
|
Describe the ring structures in building block <BB_432>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_432>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_432>.
|
**Token:** <BB_432>
**SMILES:** COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl
**Molecular Formula:** C8H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_433>.
|
Nc1cccc(F)c1-c1nc[nH]n1
|
|
What is the building block token for the following molecule?
|
Nc1cccc(F)c1-c1nc[nH]n1
|
<BB_433>
|
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