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List the primary functional groups present in <BB_66>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_66>.
|
**Token:** <BB_66>
**SMILES:** Cn1c(I)c(C#N)c(=O)n(C)c1=O
**Molecular Formula:** C7H6IN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_67>.
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Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
|
|
What is the building block token for the following molecule?
|
Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
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<BB_67>
|
What is the molecular formula for <BB_67>?
|
The molecular formula for <BB_67> (Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1) is C14H21NO2S.
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|
Describe the ring structures in building block <BB_67>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_67>.
|
The molecule contains the following groups: Secondary Amine, Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_67>.
|
**Token:** <BB_67>
**SMILES:** Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
**Molecular Formula:** C14H21NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide
|
|
Provide the SMILES representation for the building block token <BB_68>.
|
Cc1ccc(NC(=N)N)c(C)c1
|
|
What is the building block token for the following molecule?
|
Cc1ccc(NC(=N)N)c(C)c1
|
<BB_68>
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What is the molecular formula for <BB_68>?
|
The molecular formula for <BB_68> (Cc1ccc(NC(=N)N)c(C)c1) is C9H13N3.
|
|
Describe the ring structures in building block <BB_68>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_68>.
|
The molecule contains the following groups: Amine, Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_68>.
|
**Token:** <BB_68>
**SMILES:** Cc1ccc(NC(=N)N)c(C)c1
**Molecular Formula:** C9H13N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine
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|
Provide the SMILES representation for the building block token <BB_69>.
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Cl.NCc1c[nH]c(=O)c2ccccc12
|
|
What is the building block token for the following molecule?
|
Cl.NCc1c[nH]c(=O)c2ccccc12
|
<BB_69>
|
What is the molecular formula for <BB_69>?
|
The molecular formula for <BB_69> (Cl.NCc1c[nH]c(=O)c2ccccc12) is C10H11ClN2O.
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|
Describe the ring structures in building block <BB_69>.
|
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_69>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_69>.
|
**Token:** <BB_69>
**SMILES:** Cl.NCc1c[nH]c(=O)c2ccccc12
**Molecular Formula:** C10H11ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_70>.
|
C[N+](C)(C)COCN=[N+]=[N-].[Cl-]
|
|
What is the building block token for the following molecule?
|
C[N+](C)(C)COCN=[N+]=[N-].[Cl-]
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<BB_70>
|
What is the molecular formula for <BB_70>?
|
The molecular formula for <BB_70> (C[N+](C)(C)COCN=[N+]=[N-].[Cl-]) is C5H13ClN4O.
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|
Describe the ring structures in building block <BB_70>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_70>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_70>.
|
**Token:** <BB_70>
**SMILES:** C[N+](C)(C)COCN=[N+]=[N-].[Cl-]
**Molecular Formula:** C5H13ClN4O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_71>.
|
CC(C)C(=O)c1ccc2c(c1)CCCC2
|
|
What is the building block token for the following molecule?
|
CC(C)C(=O)c1ccc2c(c1)CCCC2
|
<BB_71>
|
What is the molecular formula for <BB_71>?
|
The molecular formula for <BB_71> (CC(C)C(=O)c1ccc2c(c1)CCCC2) is C14H18O.
|
|
Describe the ring structures in building block <BB_71>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_71>.
|
The molecule contains the following groups: Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_71>.
|
**Token:** <BB_71>
**SMILES:** CC(C)C(=O)c1ccc2c(c1)CCCC2
**Molecular Formula:** C14H18O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone
|
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Provide the SMILES representation for the building block token <BB_72>.
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Clc1nccc2c(Cl)nccc12
|
|
What is the building block token for the following molecule?
|
Clc1nccc2c(Cl)nccc12
|
<BB_72>
|
What is the molecular formula for <BB_72>?
|
The molecular formula for <BB_72> (Clc1nccc2c(Cl)nccc12) is C8H4Cl2N2.
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|
Describe the ring structures in building block <BB_72>.
|
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_72>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_72>.
|
**Token:** <BB_72>
**SMILES:** Clc1nccc2c(Cl)nccc12
**Molecular Formula:** C8H4Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_73>.
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CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
|
|
What is the building block token for the following molecule?
|
CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
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<BB_73>
|
What is the molecular formula for <BB_73>?
|
The molecular formula for <BB_73> (CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O) is C10H19NO3.
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Describe the ring structures in building block <BB_73>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_73>.
|
The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_73>.
|
**Token:** <BB_73>
**SMILES:** CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
**Molecular Formula:** C10H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether
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Provide the SMILES representation for the building block token <BB_74>.
|
CCNC(CC)c1ccccc1
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|
What is the building block token for the following molecule?
|
CCNC(CC)c1ccccc1
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<BB_74>
|
What is the molecular formula for <BB_74>?
|
The molecular formula for <BB_74> (CCNC(CC)c1ccccc1) is C11H17N.
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|
Describe the ring structures in building block <BB_74>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_74>.
|
The molecule contains the following groups: Secondary Amine.
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Provide a comprehensive chemical profile for the building block <BB_74>.
|
**Token:** <BB_74>
**SMILES:** CCNC(CC)c1ccccc1
**Molecular Formula:** C11H17N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine
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|
Provide the SMILES representation for the building block token <BB_75>.
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Nc1cccc(NC(=O)CO)c1
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|
What is the building block token for the following molecule?
|
Nc1cccc(NC(=O)CO)c1
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<BB_75>
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What is the molecular formula for <BB_75>?
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The molecular formula for <BB_75> (Nc1cccc(NC(=O)CO)c1) is C8H10N2O2.
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|
Describe the ring structures in building block <BB_75>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_75>.
|
The molecule contains the following groups: Amine, Amide, Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_75>.
|
**Token:** <BB_75>
**SMILES:** Nc1cccc(NC(=O)CO)c1
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_76>.
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c1ccc(-c2cnn(C3CCNCC3)c2)cc1
|
|
What is the building block token for the following molecule?
|
c1ccc(-c2cnn(C3CCNCC3)c2)cc1
|
<BB_76>
|
What is the molecular formula for <BB_76>?
|
The molecular formula for <BB_76> (c1ccc(-c2cnn(C3CCNCC3)c2)cc1) is C14H17N3.
|
|
Describe the ring structures in building block <BB_76>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_76>.
|
The molecule contains the following groups: Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_76>.
|
**Token:** <BB_76>
**SMILES:** c1ccc(-c2cnn(C3CCNCC3)c2)cc1
**Molecular Formula:** C14H17N3
**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 6.
**Functional Groups:** Secondary Amine
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|
Provide the SMILES representation for the building block token <BB_77>.
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CN(C)c1ccc(F)cc1O
|
|
What is the building block token for the following molecule?
|
CN(C)c1ccc(F)cc1O
|
<BB_77>
|
What is the molecular formula for <BB_77>?
|
The molecular formula for <BB_77> (CN(C)c1ccc(F)cc1O) is C8H10FNO.
|
|
Describe the ring structures in building block <BB_77>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_77>.
|
The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_77>.
|
**Token:** <BB_77>
**SMILES:** CN(C)c1ccc(F)cc1O
**Molecular Formula:** C8H10FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_78>.
|
CCOC(=O)Cn1ccc(N)n1
|
|
What is the building block token for the following molecule?
|
CCOC(=O)Cn1ccc(N)n1
|
<BB_78>
|
What is the molecular formula for <BB_78>?
|
The molecular formula for <BB_78> (CCOC(=O)Cn1ccc(N)n1) is C7H11N3O2.
|
|
Describe the ring structures in building block <BB_78>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_78>.
|
The molecule contains the following groups: Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_78>.
|
**Token:** <BB_78>
**SMILES:** CCOC(=O)Cn1ccc(N)n1
**Molecular Formula:** C7H11N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_79>.
|
OB(O)c1cccc(CC(F)F)c1
|
|
What is the building block token for the following molecule?
|
OB(O)c1cccc(CC(F)F)c1
|
<BB_79>
|
What is the molecular formula for <BB_79>?
|
The molecular formula for <BB_79> (OB(O)c1cccc(CC(F)F)c1) is C8H9BF2O2.
|
|
Describe the ring structures in building block <BB_79>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_79>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_79>.
|
**Token:** <BB_79>
**SMILES:** OB(O)c1cccc(CC(F)F)c1
**Molecular Formula:** C8H9BF2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_80>.
|
O=C(O)Cc1cc(Cl)cc2c1OCOC2
|
|
What is the building block token for the following molecule?
|
O=C(O)Cc1cc(Cl)cc2c1OCOC2
|
<BB_80>
|
What is the molecular formula for <BB_80>?
|
The molecular formula for <BB_80> (O=C(O)Cc1cc(Cl)cc2c1OCOC2) is C10H9ClO4.
|
|
Describe the ring structures in building block <BB_80>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_80>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_80>.
|
**Token:** <BB_80>
**SMILES:** O=C(O)Cc1cc(Cl)cc2c1OCOC2
**Molecular Formula:** C10H9ClO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_81>.
|
CCCNC(=O)CN1CCNCC1
|
|
What is the building block token for the following molecule?
|
CCCNC(=O)CN1CCNCC1
|
<BB_81>
|
What is the molecular formula for <BB_81>?
|
The molecular formula for <BB_81> (CCCNC(=O)CN1CCNCC1) is C9H19N3O.
|
|
Describe the ring structures in building block <BB_81>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_81>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_81>.
|
**Token:** <BB_81>
**SMILES:** CCCNC(=O)CN1CCNCC1
**Molecular Formula:** C9H19N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_82>.
|
CCOC(=O)CC(C)NC
|
|
What is the building block token for the following molecule?
|
CCOC(=O)CC(C)NC
|
<BB_82>
|
What is the molecular formula for <BB_82>?
|
The molecular formula for <BB_82> (CCOC(=O)CC(C)NC) is C7H15NO2.
|
|
Describe the ring structures in building block <BB_82>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_82>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_82>.
|
**Token:** <BB_82>
**SMILES:** CCOC(=O)CC(C)NC
**Molecular Formula:** C7H15NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_83>.
|
O=C([O-])c1nc(C2CC2)cs1.[Na+]
|
|
What is the building block token for the following molecule?
|
O=C([O-])c1nc(C2CC2)cs1.[Na+]
|
<BB_83>
|
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