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Provide the SMILES representation for the building block token <BB_100>.
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COC(=O)c1onc(O)c1Br
|
|
What is the building block token for the following molecule?
|
COC(=O)c1onc(O)c1Br
|
<BB_100>
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What is the molecular formula for <BB_100>?
|
The molecular formula for <BB_100> (COC(=O)c1onc(O)c1Br) is C5H4BrNO4.
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Describe the ring structures in building block <BB_100>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_100>.
|
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_100>.
|
**Token:** <BB_100>
**SMILES:** COC(=O)c1onc(O)c1Br
**Molecular Formula:** C5H4BrNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic 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_101>.
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CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O
|
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What is the building block token for the following molecule?
|
CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O
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<BB_101>
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What is the molecular formula for <BB_101>?
|
The molecular formula for <BB_101> (CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O) is C11H9F3N2O3.
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Describe the ring structures in building block <BB_101>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
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List the primary functional groups present in <BB_101>.
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The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_101>.
|
**Token:** <BB_101>
**SMILES:** CC1(c2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O
**Molecular Formula:** C11H9F3N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_102>.
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CC(C)(C)OC(=O)N1CC[C@H]2CNCC[C@H]21
|
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What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC[C@H]2CNCC[C@H]21
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<BB_102>
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What is the molecular formula for <BB_102>?
|
The molecular formula for <BB_102> (CC(C)(C)OC(=O)N1CC[C@H]2CNCC[C@H]21) is C12H22N2O2.
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Describe the ring structures in building block <BB_102>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_102>.
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The molecule contains the following groups: Secondary Amine, Amide, Ether.
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Provide a comprehensive chemical profile for the building block <BB_102>.
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**Token:** <BB_102>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@H]2CNCC[C@H]21
**Molecular Formula:** C12H22N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether
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Provide the SMILES representation for the building block token <BB_103>.
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Cl.NCc1cnn(-c2ccc(Cl)cc2)c1
|
|
What is the building block token for the following molecule?
|
Cl.NCc1cnn(-c2ccc(Cl)cc2)c1
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<BB_103>
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What is the molecular formula for <BB_103>?
|
The molecular formula for <BB_103> (Cl.NCc1cnn(-c2ccc(Cl)cc2)c1) is C10H11Cl2N3.
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Describe the ring structures in building block <BB_103>.
|
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_103>.
|
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_103>.
|
**Token:** <BB_103>
**SMILES:** Cl.NCc1cnn(-c2ccc(Cl)cc2)c1
**Molecular Formula:** C10H11Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_104>.
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O=S(=O)(Cl)CC1Cc2ccccc21
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What is the building block token for the following molecule?
|
O=S(=O)(Cl)CC1Cc2ccccc21
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<BB_104>
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What is the molecular formula for <BB_104>?
|
The molecular formula for <BB_104> (O=S(=O)(Cl)CC1Cc2ccccc21) is C9H9ClO2S.
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Describe the ring structures in building block <BB_104>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_104>.
|
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_104>.
|
**Token:** <BB_104>
**SMILES:** O=S(=O)(Cl)CC1Cc2ccccc21
**Molecular Formula:** C9H9ClO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, 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_105>.
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O=Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1
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|
What is the building block token for the following molecule?
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O=Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1
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<BB_105>
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What is the molecular formula for <BB_105>?
|
The molecular formula for <BB_105> (O=Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1) is C9H6BrN3O4.
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Describe the ring structures in building block <BB_105>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
|
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List the primary functional groups present in <BB_105>.
|
The molecule contains the following groups: Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I), Nitro.
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Provide a comprehensive chemical profile for the building block <BB_105>.
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**Token:** <BB_105>
**SMILES:** O=Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1
**Molecular Formula:** C9H6BrN3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I), Nitro
|
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Provide the SMILES representation for the building block token <BB_106>.
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Fc1cccc(-c2nc(S)c(-c3ccccc3)[nH]2)c1
|
|
What is the building block token for the following molecule?
|
Fc1cccc(-c2nc(S)c(-c3ccccc3)[nH]2)c1
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<BB_106>
|
What is the molecular formula for <BB_106>?
|
The molecular formula for <BB_106> (Fc1cccc(-c2nc(S)c(-c3ccccc3)[nH]2)c1) is C15H11FN2S.
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Describe the ring structures in building block <BB_106>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
|
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List the primary functional groups present in <BB_106>.
|
The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_106>.
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**Token:** <BB_106>
**SMILES:** Fc1cccc(-c2nc(S)c(-c3ccccc3)[nH]2)c1
**Molecular Formula:** C15H11FN2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_107>.
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NC1CCCC1CCc1ccccc1
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What is the building block token for the following molecule?
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NC1CCCC1CCc1ccccc1
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<BB_107>
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What is the molecular formula for <BB_107>?
|
The molecular formula for <BB_107> (NC1CCCC1CCc1ccccc1) is C13H19N.
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Describe the ring structures in building block <BB_107>.
|
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_107>.
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The molecule contains the following groups: Amine.
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Provide a comprehensive chemical profile for the building block <BB_107>.
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**Token:** <BB_107>
**SMILES:** NC1CCCC1CCc1ccccc1
**Molecular Formula:** C13H19N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_108>.
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CC1CC1(N)c1ccc(Cl)cc1
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What is the building block token for the following molecule?
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CC1CC1(N)c1ccc(Cl)cc1
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<BB_108>
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What is the molecular formula for <BB_108>?
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The molecular formula for <BB_108> (CC1CC1(N)c1ccc(Cl)cc1) is C10H12ClN.
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Describe the ring structures in building block <BB_108>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_108>.
|
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_108>.
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**Token:** <BB_108>
**SMILES:** CC1CC1(N)c1ccc(Cl)cc1
**Molecular Formula:** C10H12ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_109>.
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FC(F)(F)CNc1nc(Cl)cc(Cl)n1
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What is the building block token for the following molecule?
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FC(F)(F)CNc1nc(Cl)cc(Cl)n1
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<BB_109>
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What is the molecular formula for <BB_109>?
|
The molecular formula for <BB_109> (FC(F)(F)CNc1nc(Cl)cc(Cl)n1) is C6H4Cl2F3N3.
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Describe the ring structures in building block <BB_109>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_109>.
|
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_109>.
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**Token:** <BB_109>
**SMILES:** FC(F)(F)CNc1nc(Cl)cc(Cl)n1
**Molecular Formula:** C6H4Cl2F3N3
**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_110>.
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O=C1NCCC1Br
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What is the building block token for the following molecule?
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O=C1NCCC1Br
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<BB_110>
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What is the molecular formula for <BB_110>?
|
The molecular formula for <BB_110> (O=C1NCCC1Br) is C4H6BrNO.
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Describe the ring structures in building block <BB_110>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_110>.
|
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_110>.
|
**Token:** <BB_110>
**SMILES:** O=C1NCCC1Br
**Molecular Formula:** C4H6BrNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_111>.
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COC(=O)c1cccc(NCCN)c1.Cl.Cl
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What is the building block token for the following molecule?
|
COC(=O)c1cccc(NCCN)c1.Cl.Cl
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<BB_111>
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What is the molecular formula for <BB_111>?
|
The molecular formula for <BB_111> (COC(=O)c1cccc(NCCN)c1.Cl.Cl) is C10H16Cl2N2O2.
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Describe the ring structures in building block <BB_111>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_111>.
|
The molecule contains the following groups: Amine, Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_111>.
|
**Token:** <BB_111>
**SMILES:** COC(=O)c1cccc(NCCN)c1.Cl.Cl
**Molecular Formula:** C10H16Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_112>.
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CSc1ncc(B2OC(C)(C)C(C)(C)O2)o1
|
|
What is the building block token for the following molecule?
|
CSc1ncc(B2OC(C)(C)C(C)(C)O2)o1
|
<BB_112>
|
What is the molecular formula for <BB_112>?
|
The molecular formula for <BB_112> (CSc1ncc(B2OC(C)(C)C(C)(C)O2)o1) is C10H16BNO3S.
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Describe the ring structures in building block <BB_112>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_112>.
|
The molecule contains the following groups: Sulfide.
|
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Provide a comprehensive chemical profile for the building block <BB_112>.
|
**Token:** <BB_112>
**SMILES:** CSc1ncc(B2OC(C)(C)C(C)(C)O2)o1
**Molecular Formula:** C10H16BNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Sulfide
|
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Provide the SMILES representation for the building block token <BB_113>.
|
COCC(C)(COC)NCCC(=O)O.Cl
|
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What is the building block token for the following molecule?
|
COCC(C)(COC)NCCC(=O)O.Cl
|
<BB_113>
|
What is the molecular formula for <BB_113>?
|
The molecular formula for <BB_113> (COCC(C)(COC)NCCC(=O)O.Cl) is C9H20ClNO4.
|
|
Describe the ring structures in building block <BB_113>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_113>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_113>.
|
**Token:** <BB_113>
**SMILES:** COCC(C)(COC)NCCC(=O)O.Cl
**Molecular Formula:** C9H20ClNO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_114>.
|
CNCC(CO)CO.Cl
|
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What is the building block token for the following molecule?
|
CNCC(CO)CO.Cl
|
<BB_114>
|
What is the molecular formula for <BB_114>?
|
The molecular formula for <BB_114> (CNCC(CO)CO.Cl) is C5H14ClNO2.
|
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Describe the ring structures in building block <BB_114>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_114>.
|
The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_114>.
|
**Token:** <BB_114>
**SMILES:** CNCC(CO)CO.Cl
**Molecular Formula:** C5H14ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_115>.
|
Cc1c(-c2ccccc2)c2ccccc2[nH]c1=O
|
|
What is the building block token for the following molecule?
|
Cc1c(-c2ccccc2)c2ccccc2[nH]c1=O
|
<BB_115>
|
What is the molecular formula for <BB_115>?
|
The molecular formula for <BB_115> (Cc1c(-c2ccccc2)c2ccccc2[nH]c1=O) is C16H13NO.
|
|
Describe the ring structures in building block <BB_115>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_115>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_115>.
|
**Token:** <BB_115>
**SMILES:** Cc1c(-c2ccccc2)c2ccccc2[nH]c1=O
**Molecular Formula:** C16H13NO
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_116>.
|
CCCCc1nnc(N)s1
|
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What is the building block token for the following molecule?
|
CCCCc1nnc(N)s1
|
<BB_116>
|
What is the molecular formula for <BB_116>?
|
The molecular formula for <BB_116> (CCCCc1nnc(N)s1) is C6H11N3S.
|
|
Describe the ring structures in building block <BB_116>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
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