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List the primary functional groups present in <BB_116>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_116>.
|
**Token:** <BB_116>
**SMILES:** CCCCc1nnc(N)s1
**Molecular Formula:** C6H11N3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_117>.
|
C#Cc1c(F)ccc(F)c1Cl
|
|
What is the building block token for the following molecule?
|
C#Cc1c(F)ccc(F)c1Cl
|
<BB_117>
|
What is the molecular formula for <BB_117>?
|
The molecular formula for <BB_117> (C#Cc1c(F)ccc(F)c1Cl) is C8H3ClF2.
|
|
Describe the ring structures in building block <BB_117>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_117>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_117>.
|
**Token:** <BB_117>
**SMILES:** C#Cc1c(F)ccc(F)c1Cl
**Molecular Formula:** C8H3ClF2
**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_118>.
|
CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]
|
|
What is the building block token for the following molecule?
|
CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]
|
<BB_118>
|
What is the molecular formula for <BB_118>?
|
The molecular formula for <BB_118> (CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]) is C9H16LiO5PS.
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|
Describe the ring structures in building block <BB_118>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_118>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_118>.
|
**Token:** <BB_118>
**SMILES:** CCOP(=O)(OCC)C12CC(S(=O)[O-])(C1)C2.[Li+]
**Molecular Formula:** C9H16LiO5PS
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_119>.
|
CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O
|
<BB_119>
|
What is the molecular formula for <BB_119>?
|
The molecular formula for <BB_119> (CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O) is C9H15F2NO5.
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|
Describe the ring structures in building block <BB_119>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_119>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_119>.
|
**Token:** <BB_119>
**SMILES:** CC(C)(C)OC(=O)NC(COC(F)F)C(=O)O
**Molecular Formula:** C9H15F2NO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_120>.
|
CCOC(=O)CC1C(=O)CCN1C(=O)OCC
|
|
What is the building block token for the following molecule?
|
CCOC(=O)CC1C(=O)CCN1C(=O)OCC
|
<BB_120>
|
What is the molecular formula for <BB_120>?
|
The molecular formula for <BB_120> (CCOC(=O)CC1C(=O)CCN1C(=O)OCC) is C11H17NO5.
|
|
Describe the ring structures in building block <BB_120>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_120>.
|
The molecule contains the following groups: Amide, Ester, Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_120>.
|
**Token:** <BB_120>
**SMILES:** CCOC(=O)CC1C(=O)CCN1C(=O)OCC
**Molecular Formula:** C11H17NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_121>.
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CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1
|
<BB_121>
|
What is the molecular formula for <BB_121>?
|
The molecular formula for <BB_121> (CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1) is C14H26N2O2.
|
|
Describe the ring structures in building block <BB_121>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_121>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_121>.
|
**Token:** <BB_121>
**SMILES:** CC(C)(C)OC(=O)N[C@H]1C[C@]2(CCCCCN2)C1
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_122>.
|
Nc1cnc(Cl)nc1Br
|
|
What is the building block token for the following molecule?
|
Nc1cnc(Cl)nc1Br
|
<BB_122>
|
What is the molecular formula for <BB_122>?
|
The molecular formula for <BB_122> (Nc1cnc(Cl)nc1Br) is C4H3BrClN3.
|
|
Describe the ring structures in building block <BB_122>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_122>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_122>.
|
**Token:** <BB_122>
**SMILES:** Nc1cnc(Cl)nc1Br
**Molecular Formula:** C4H3BrClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_123>.
|
COc1cccnc1C(=O)O.Cl
|
|
What is the building block token for the following molecule?
|
COc1cccnc1C(=O)O.Cl
|
<BB_123>
|
What is the molecular formula for <BB_123>?
|
The molecular formula for <BB_123> (COc1cccnc1C(=O)O.Cl) is C7H8ClNO3.
|
|
Describe the ring structures in building block <BB_123>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_123>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_123>.
|
**Token:** <BB_123>
**SMILES:** COc1cccnc1C(=O)O.Cl
**Molecular Formula:** C7H8ClNO3
**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_124>.
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Cl.NC12CC(C3CCCC3)(C1)C2
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|
What is the building block token for the following molecule?
|
Cl.NC12CC(C3CCCC3)(C1)C2
|
<BB_124>
|
What is the molecular formula for <BB_124>?
|
The molecular formula for <BB_124> (Cl.NC12CC(C3CCCC3)(C1)C2) is C10H18ClN.
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|
Describe the ring structures in building block <BB_124>.
|
The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_124>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_124>.
|
**Token:** <BB_124>
**SMILES:** Cl.NC12CC(C3CCCC3)(C1)C2
**Molecular Formula:** C10H18ClN
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_125>.
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Cc1cc(Cl)cc(C#N)c1
|
|
What is the building block token for the following molecule?
|
Cc1cc(Cl)cc(C#N)c1
|
<BB_125>
|
What is the molecular formula for <BB_125>?
|
The molecular formula for <BB_125> (Cc1cc(Cl)cc(C#N)c1) is C8H6ClN.
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|
Describe the ring structures in building block <BB_125>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_125>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_125>.
|
**Token:** <BB_125>
**SMILES:** Cc1cc(Cl)cc(C#N)c1
**Molecular Formula:** C8H6ClN
**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_126>.
|
O=C(CCOc1ccccc1)N1CCCC1
|
|
What is the building block token for the following molecule?
|
O=C(CCOc1ccccc1)N1CCCC1
|
<BB_126>
|
What is the molecular formula for <BB_126>?
|
The molecular formula for <BB_126> (O=C(CCOc1ccccc1)N1CCCC1) is C13H17NO2.
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|
Describe the ring structures in building block <BB_126>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_126>.
|
The molecule contains the following groups: Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_126>.
|
**Token:** <BB_126>
**SMILES:** O=C(CCOc1ccccc1)N1CCCC1
**Molecular Formula:** C13H17NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_127>.
|
N#CC(O)c1ccc(Br)cc1F
|
|
What is the building block token for the following molecule?
|
N#CC(O)c1ccc(Br)cc1F
|
<BB_127>
|
What is the molecular formula for <BB_127>?
|
The molecular formula for <BB_127> (N#CC(O)c1ccc(Br)cc1F) is C8H5BrFNO.
|
|
Describe the ring structures in building block <BB_127>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_127>.
|
The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_127>.
|
**Token:** <BB_127>
**SMILES:** N#CC(O)c1ccc(Br)cc1F
**Molecular Formula:** C8H5BrFNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_128>.
|
N#CCC(=O)c1cc(Cl)ccc1Cl
|
|
What is the building block token for the following molecule?
|
N#CCC(=O)c1cc(Cl)ccc1Cl
|
<BB_128>
|
What is the molecular formula for <BB_128>?
|
The molecular formula for <BB_128> (N#CCC(=O)c1cc(Cl)ccc1Cl) is C9H5Cl2NO.
|
|
Describe the ring structures in building block <BB_128>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_128>.
|
The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_128>.
|
**Token:** <BB_128>
**SMILES:** N#CCC(=O)c1cc(Cl)ccc1Cl
**Molecular Formula:** C9H5Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_129>.
|
O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2
|
|
What is the building block token for the following molecule?
|
O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2
|
<BB_129>
|
What is the molecular formula for <BB_129>?
|
The molecular formula for <BB_129> (O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2) is C12H9NO4.
|
|
Describe the ring structures in building block <BB_129>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_129>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_129>.
|
**Token:** <BB_129>
**SMILES:** O=C(O)c1cc2c3c(c1)C(=O)C(=O)N3CCC2
**Molecular Formula:** C12H9NO4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ketone
|
|
Provide the SMILES representation for the building block token <BB_130>.
|
COCCSCCCBr
|
|
What is the building block token for the following molecule?
|
COCCSCCCBr
|
<BB_130>
|
What is the molecular formula for <BB_130>?
|
The molecular formula for <BB_130> (COCCSCCCBr) is C6H13BrOS.
|
|
Describe the ring structures in building block <BB_130>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_130>.
|
The molecule contains the following groups: Ether, Sulfide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_130>.
|
**Token:** <BB_130>
**SMILES:** COCCSCCCBr
**Molecular Formula:** C6H13BrOS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Sulfide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_131>.
|
C[C@H](O)[C@@H](N)C(=O)O
|
|
What is the building block token for the following molecule?
|
C[C@H](O)[C@@H](N)C(=O)O
|
<BB_131>
|
What is the molecular formula for <BB_131>?
|
The molecular formula for <BB_131> (C[C@H](O)[C@@H](N)C(=O)O) is C4H9NO3.
|
|
Describe the ring structures in building block <BB_131>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_131>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_131>.
|
**Token:** <BB_131>
**SMILES:** C[C@H](O)[C@@H](N)C(=O)O
**Molecular Formula:** C4H9NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_132>.
|
CC(C)C1(O)CCCNC1.Cl
|
|
What is the building block token for the following molecule?
|
CC(C)C1(O)CCCNC1.Cl
|
<BB_132>
|
What is the molecular formula for <BB_132>?
|
The molecular formula for <BB_132> (CC(C)C1(O)CCCNC1.Cl) is C8H18ClNO.
|
|
Describe the ring structures in building block <BB_132>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_132>.
|
The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_132>.
|
**Token:** <BB_132>
**SMILES:** CC(C)C1(O)CCCNC1.Cl
**Molecular Formula:** C8H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_133>.
|
O=C(O)COc1ccc(CO)cc1
|
|
What is the building block token for the following molecule?
|
O=C(O)COc1ccc(CO)cc1
|
<BB_133>
|
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