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What is the molecular formula for <BB_133>?
|
The molecular formula for <BB_133> (O=C(O)COc1ccc(CO)cc1) is C9H10O4.
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|
Describe the ring structures in building block <BB_133>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_133>.
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The molecule contains the following groups: Carboxylic Acid, Alcohol, Ether.
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Provide a comprehensive chemical profile for the building block <BB_133>.
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**Token:** <BB_133>
**SMILES:** O=C(O)COc1ccc(CO)cc1
**Molecular Formula:** C9H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Alcohol, Ether
|
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Provide the SMILES representation for the building block token <BB_134>.
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C=CCn1c(S)nnc1COc1ccccc1
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|
What is the building block token for the following molecule?
|
C=CCn1c(S)nnc1COc1ccccc1
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<BB_134>
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What is the molecular formula for <BB_134>?
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The molecular formula for <BB_134> (C=CCn1c(S)nnc1COc1ccccc1) is C12H13N3OS.
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Describe the ring structures in building block <BB_134>.
|
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_134>.
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The molecule contains the following groups: Ether, Thiol.
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Provide a comprehensive chemical profile for the building block <BB_134>.
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**Token:** <BB_134>
**SMILES:** C=CCn1c(S)nnc1COc1ccccc1
**Molecular Formula:** C12H13N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether, Thiol
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|
Provide the SMILES representation for the building block token <BB_135>.
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O=Cc1cc(F)ccc1Cl
|
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What is the building block token for the following molecule?
|
O=Cc1cc(F)ccc1Cl
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<BB_135>
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What is the molecular formula for <BB_135>?
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The molecular formula for <BB_135> (O=Cc1cc(F)ccc1Cl) is C7H4ClFO.
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Describe the ring structures in building block <BB_135>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_135>.
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The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_135>.
|
**Token:** <BB_135>
**SMILES:** O=Cc1cc(F)ccc1Cl
**Molecular Formula:** C7H4ClFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_136>.
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CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
|
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What is the building block token for the following molecule?
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CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
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<BB_136>
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What is the molecular formula for <BB_136>?
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The molecular formula for <BB_136> (CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C) is C14H25NO4.
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Describe the ring structures in building block <BB_136>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_136>.
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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_136>.
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**Token:** <BB_136>
**SMILES:** CCCC1(C(=O)O)CCCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C14H25NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether
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Provide the SMILES representation for the building block token <BB_137>.
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COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
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|
What is the building block token for the following molecule?
|
COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
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<BB_137>
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What is the molecular formula for <BB_137>?
|
The molecular formula for <BB_137> (COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1) is C12H19NO4.
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Describe the ring structures in building block <BB_137>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_137>.
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The molecule contains the following groups: Amide, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_137>.
|
**Token:** <BB_137>
**SMILES:** COC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether
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Provide the SMILES representation for the building block token <BB_138>.
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O=C1CCC(CO)CN1
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|
What is the building block token for the following molecule?
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O=C1CCC(CO)CN1
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<BB_138>
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What is the molecular formula for <BB_138>?
|
The molecular formula for <BB_138> (O=C1CCC(CO)CN1) is C6H11NO2.
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Describe the ring structures in building block <BB_138>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_138>.
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The molecule contains the following groups: Amide, Alcohol.
|
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Provide a comprehensive chemical profile for the building block <BB_138>.
|
**Token:** <BB_138>
**SMILES:** O=C1CCC(CO)CN1
**Molecular Formula:** C6H11NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol
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Provide the SMILES representation for the building block token <BB_139>.
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O=S(=O)(Cl)Cc1cccc(Br)c1
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What is the building block token for the following molecule?
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O=S(=O)(Cl)Cc1cccc(Br)c1
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<BB_139>
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What is the molecular formula for <BB_139>?
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The molecular formula for <BB_139> (O=S(=O)(Cl)Cc1cccc(Br)c1) is C7H6BrClO2S.
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Describe the ring structures in building block <BB_139>.
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The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_139>.
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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_139>.
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**Token:** <BB_139>
**SMILES:** O=S(=O)(Cl)Cc1cccc(Br)c1
**Molecular Formula:** C7H6BrClO2S
**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_140>.
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O=C(O)COc1ccc(S(=O)(=O)F)cc1
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What is the building block token for the following molecule?
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O=C(O)COc1ccc(S(=O)(=O)F)cc1
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<BB_140>
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What is the molecular formula for <BB_140>?
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The molecular formula for <BB_140> (O=C(O)COc1ccc(S(=O)(=O)F)cc1) is C8H7FO5S.
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Describe the ring structures in building block <BB_140>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_140>.
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The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_140>.
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**Token:** <BB_140>
**SMILES:** O=C(O)COc1ccc(S(=O)(=O)F)cc1
**Molecular Formula:** C8H7FO5S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_141>.
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Cc1nnc([C@]23CCC[C@H]2CNC3)o1
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What is the building block token for the following molecule?
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Cc1nnc([C@]23CCC[C@H]2CNC3)o1
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<BB_141>
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What is the molecular formula for <BB_141>?
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The molecular formula for <BB_141> (Cc1nnc([C@]23CCC[C@H]2CNC3)o1) is C10H15N3O.
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Describe the ring structures in building block <BB_141>.
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The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
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List the primary functional groups present in <BB_141>.
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The molecule contains the following groups: Secondary Amine.
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Provide a comprehensive chemical profile for the building block <BB_141>.
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**Token:** <BB_141>
**SMILES:** Cc1nnc([C@]23CCC[C@H]2CNC3)o1
**Molecular Formula:** C10H15N3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine
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Provide the SMILES representation for the building block token <BB_142>.
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CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl
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<BB_142>
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What is the molecular formula for <BB_142>?
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The molecular formula for <BB_142> (CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl) is C11H21ClN2O2.
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Describe the ring structures in building block <BB_142>.
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The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_142>.
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The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_142>.
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**Token:** <BB_142>
**SMILES:** CC(C)(C)OC(=O)N1CC2CNC(C2)C1.Cl
**Molecular Formula:** C11H21ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_143>.
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Cl.NCCCC1N=N1
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What is the building block token for the following molecule?
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Cl.NCCCC1N=N1
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<BB_143>
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What is the molecular formula for <BB_143>?
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The molecular formula for <BB_143> (Cl.NCCCC1N=N1) is C4H10ClN3.
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Describe the ring structures in building block <BB_143>.
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The molecule contains 1 ring(s): an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_143>.
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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_143>.
|
**Token:** <BB_143>
**SMILES:** Cl.NCCCC1N=N1
**Molecular Formula:** C4H10ClN3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_144>.
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COC(=O)c1c(N)sc2c1CCCC2
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What is the building block token for the following molecule?
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COC(=O)c1c(N)sc2c1CCCC2
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<BB_144>
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What is the molecular formula for <BB_144>?
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The molecular formula for <BB_144> (COC(=O)c1c(N)sc2c1CCCC2) is C10H13NO2S.
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Describe the ring structures in building block <BB_144>.
|
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_144>.
|
The molecule contains the following groups: Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_144>.
|
**Token:** <BB_144>
**SMILES:** COC(=O)c1c(N)sc2c1CCCC2
**Molecular Formula:** C10H13NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether
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Provide the SMILES representation for the building block token <BB_145>.
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CCCCCc1cc(O)cc(=O)o1
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|
What is the building block token for the following molecule?
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CCCCCc1cc(O)cc(=O)o1
|
<BB_145>
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What is the molecular formula for <BB_145>?
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The molecular formula for <BB_145> (CCCCCc1cc(O)cc(=O)o1) is C10H14O3.
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Describe the ring structures in building block <BB_145>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_145>.
|
The molecule contains the following groups: None specific.
|
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Provide a comprehensive chemical profile for the building block <BB_145>.
|
**Token:** <BB_145>
**SMILES:** CCCCCc1cc(O)cc(=O)o1
**Molecular Formula:** C10H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific
|
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Provide the SMILES representation for the building block token <BB_146>.
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CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1
|
|
What is the building block token for the following molecule?
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CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1
|
<BB_146>
|
What is the molecular formula for <BB_146>?
|
The molecular formula for <BB_146> (CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1) is C14H23NO4.
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|
Describe the ring structures in building block <BB_146>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_146>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_146>.
|
**Token:** <BB_146>
**SMILES:** CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)O)C1
**Molecular Formula:** C14H23NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_147>.
|
COC(=O)CC1(N)CCCC1.Cl
|
|
What is the building block token for the following molecule?
|
COC(=O)CC1(N)CCCC1.Cl
|
<BB_147>
|
What is the molecular formula for <BB_147>?
|
The molecular formula for <BB_147> (COC(=O)CC1(N)CCCC1.Cl) is C8H16ClNO2.
|
|
Describe the ring structures in building block <BB_147>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_147>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_147>.
|
**Token:** <BB_147>
**SMILES:** COC(=O)CC1(N)CCCC1.Cl
**Molecular Formula:** C8H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_148>.
|
O=C(O)CSc1ccc2ccccc2c1
|
|
What is the building block token for the following molecule?
|
O=C(O)CSc1ccc2ccccc2c1
|
<BB_148>
|
What is the molecular formula for <BB_148>?
|
The molecular formula for <BB_148> (O=C(O)CSc1ccc2ccccc2c1) is C12H10O2S.
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Describe the ring structures in building block <BB_148>.
|
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_148>.
|
The molecule contains the following groups: Carboxylic Acid, Sulfide.
|
|
Provide a comprehensive chemical profile for the building block <BB_148>.
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**Token:** <BB_148>
**SMILES:** O=C(O)CSc1ccc2ccccc2c1
**Molecular Formula:** C12H10O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide
|
|
Provide the SMILES representation for the building block token <BB_149>.
|
NC(N)=NS(=O)(=O)c1ccc(N)cc1
|
|
What is the building block token for the following molecule?
|
NC(N)=NS(=O)(=O)c1ccc(N)cc1
|
<BB_149>
|
What is the molecular formula for <BB_149>?
|
The molecular formula for <BB_149> (NC(N)=NS(=O)(=O)c1ccc(N)cc1) is C7H10N4O2S.
|
|
Describe the ring structures in building block <BB_149>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_149>.
|
The molecule contains the following groups: Amine, Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_149>.
|
**Token:** <BB_149>
**SMILES:** NC(N)=NS(=O)(=O)c1ccc(N)cc1
**Molecular Formula:** C7H10N4O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide
|
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