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What is the molecular formula for <BB_433>?
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The molecular formula for <BB_433> (Nc1cccc(F)c1-c1nc[nH]n1) is C8H7FN4.
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Describe the ring structures in building block <BB_433>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
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List the primary functional groups present in <BB_433>.
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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_433>.
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**Token:** <BB_433>
**SMILES:** Nc1cccc(F)c1-c1nc[nH]n1
**Molecular Formula:** C8H7FN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_434>.
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COCCOCc1cccc(B(O)O)c1
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What is the building block token for the following molecule?
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COCCOCc1cccc(B(O)O)c1
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<BB_434>
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What is the molecular formula for <BB_434>?
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The molecular formula for <BB_434> (COCCOCc1cccc(B(O)O)c1) is C10H15BO4.
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Describe the ring structures in building block <BB_434>.
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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_434>.
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The molecule contains the following groups: Ether.
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Provide a comprehensive chemical profile for the building block <BB_434>.
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**Token:** <BB_434>
**SMILES:** COCCOCc1cccc(B(O)O)c1
**Molecular Formula:** C10H15BO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether
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Provide the SMILES representation for the building block token <BB_435>.
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Ic1ccc(OCc2ccccn2)cc1
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What is the building block token for the following molecule?
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Ic1ccc(OCc2ccccn2)cc1
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<BB_435>
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What is the molecular formula for <BB_435>?
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The molecular formula for <BB_435> (Ic1ccc(OCc2ccccn2)cc1) is C12H10INO.
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Describe the ring structures in building block <BB_435>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_435>.
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The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_435>.
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**Token:** <BB_435>
**SMILES:** Ic1ccc(OCc2ccccn2)cc1
**Molecular Formula:** C12H10INO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_436>.
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CN1CC(CN)OC1=O.Cl
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What is the building block token for the following molecule?
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CN1CC(CN)OC1=O.Cl
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<BB_436>
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What is the molecular formula for <BB_436>?
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The molecular formula for <BB_436> (CN1CC(CN)OC1=O.Cl) is C5H11ClN2O2.
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Describe the ring structures in building block <BB_436>.
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The molecule contains 1 ring(s): an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_436>.
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The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_436>.
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**Token:** <BB_436>
**SMILES:** CN1CC(CN)OC1=O.Cl
**Molecular Formula:** C5H11ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_437>.
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O=C(O)c1cnsc1Br
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What is the building block token for the following molecule?
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O=C(O)c1cnsc1Br
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<BB_437>
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What is the molecular formula for <BB_437>?
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The molecular formula for <BB_437> (O=C(O)c1cnsc1Br) is C4H2BrNO2S.
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Describe the ring structures in building block <BB_437>.
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The molecule contains 1 ring(s): an aromatic ring of size 5.
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List the primary functional groups present in <BB_437>.
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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_437>.
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**Token:** <BB_437>
**SMILES:** O=C(O)c1cnsc1Br
**Molecular Formula:** C4H2BrNO2S
**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_438>.
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O=C(O)CSc1nncn1C1CC1
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What is the building block token for the following molecule?
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O=C(O)CSc1nncn1C1CC1
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<BB_438>
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What is the molecular formula for <BB_438>?
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The molecular formula for <BB_438> (O=C(O)CSc1nncn1C1CC1) is C7H9N3O2S.
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Describe the ring structures in building block <BB_438>.
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The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
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List the primary functional groups present in <BB_438>.
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The molecule contains the following groups: Carboxylic Acid, Sulfide.
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Provide a comprehensive chemical profile for the building block <BB_438>.
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**Token:** <BB_438>
**SMILES:** O=C(O)CSc1nncn1C1CC1
**Molecular Formula:** C7H9N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Sulfide
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Provide the SMILES representation for the building block token <BB_439>.
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O=C(O)Cn1ccc2cc(Br)ccc2c1=O
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What is the building block token for the following molecule?
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O=C(O)Cn1ccc2cc(Br)ccc2c1=O
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<BB_439>
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What is the molecular formula for <BB_439>?
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The molecular formula for <BB_439> (O=C(O)Cn1ccc2cc(Br)ccc2c1=O) is C11H8BrNO3.
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Describe the ring structures in building block <BB_439>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_439>.
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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_439>.
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**Token:** <BB_439>
**SMILES:** O=C(O)Cn1ccc2cc(Br)ccc2c1=O
**Molecular Formula:** C11H8BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_440>.
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CN(Cc1ccccc1)C1CNC1.Cl.Cl
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What is the building block token for the following molecule?
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CN(Cc1ccccc1)C1CNC1.Cl.Cl
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<BB_440>
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What is the molecular formula for <BB_440>?
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The molecular formula for <BB_440> (CN(Cc1ccccc1)C1CNC1.Cl.Cl) is C11H18Cl2N2.
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Describe the ring structures in building block <BB_440>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
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List the primary functional groups present in <BB_440>.
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The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_440>.
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**Token:** <BB_440>
**SMILES:** CN(Cc1ccccc1)C1CNC1.Cl.Cl
**Molecular Formula:** C11H18Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_441>.
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O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl
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What is the building block token for the following molecule?
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O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl
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<BB_441>
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What is the molecular formula for <BB_441>?
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The molecular formula for <BB_441> (O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl) is C13H9ClO3S.
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Describe the ring structures in building block <BB_441>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_441>.
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The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_441>.
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**Token:** <BB_441>
**SMILES:** O=C(c1ccccc1)c1ccccc1S(=O)(=O)Cl
**Molecular Formula:** C13H9ClO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_442>.
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N#CC(O)c1ccc([N+](=O)[O-])cc1
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What is the building block token for the following molecule?
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N#CC(O)c1ccc([N+](=O)[O-])cc1
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<BB_442>
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What is the molecular formula for <BB_442>?
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The molecular formula for <BB_442> (N#CC(O)c1ccc([N+](=O)[O-])cc1) is C8H6N2O3.
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Describe the ring structures in building block <BB_442>.
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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_442>.
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The molecule contains the following groups: Tertiary Amine, Alcohol, Nitrile, Nitro.
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Provide a comprehensive chemical profile for the building block <BB_442>.
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**Token:** <BB_442>
**SMILES:** N#CC(O)c1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C8H6N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Nitrile, Nitro
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Provide the SMILES representation for the building block token <BB_443>.
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N#CN1CCC(=O)CC1
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What is the building block token for the following molecule?
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N#CN1CCC(=O)CC1
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<BB_443>
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What is the molecular formula for <BB_443>?
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The molecular formula for <BB_443> (N#CN1CCC(=O)CC1) is C6H8N2O.
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Describe the ring structures in building block <BB_443>.
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The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_443>.
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The molecule contains the following groups: Tertiary Amine, Ketone, Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_443>.
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**Token:** <BB_443>
**SMILES:** N#CN1CCC(=O)CC1
**Molecular Formula:** C6H8N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Nitrile
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Provide the SMILES representation for the building block token <BB_444>.
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NS(=O)(=O)c1ccnc(C(F)(F)F)c1
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What is the building block token for the following molecule?
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NS(=O)(=O)c1ccnc(C(F)(F)F)c1
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<BB_444>
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What is the molecular formula for <BB_444>?
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The molecular formula for <BB_444> (NS(=O)(=O)c1ccnc(C(F)(F)F)c1) is C6H5F3N2O2S.
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Describe the ring structures in building block <BB_444>.
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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_444>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_444>.
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**Token:** <BB_444>
**SMILES:** NS(=O)(=O)c1ccnc(C(F)(F)F)c1
**Molecular Formula:** C6H5F3N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide
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Provide the SMILES representation for the building block token <BB_445>.
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Clc1nc(C2CC2)nc2sc3c(c12)CCCC3
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What is the building block token for the following molecule?
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Clc1nc(C2CC2)nc2sc3c(c12)CCCC3
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<BB_445>
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What is the molecular formula for <BB_445>?
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The molecular formula for <BB_445> (Clc1nc(C2CC2)nc2sc3c(c12)CCCC3) is C13H13ClN2S.
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Describe the ring structures in building block <BB_445>.
|
The molecule contains 4 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 5, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_445>.
|
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_445>.
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**Token:** <BB_445>
**SMILES:** Clc1nc(C2CC2)nc2sc3c(c12)CCCC3
**Molecular Formula:** C13H13ClN2S
**Ring System:** The molecule contains 4 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 5, an aliphatic 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_446>.
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CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1
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What is the building block token for the following molecule?
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CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1
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<BB_446>
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What is the molecular formula for <BB_446>?
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The molecular formula for <BB_446> (CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1) is C12H19NO3.
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|
Describe the ring structures in building block <BB_446>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_446>.
|
The molecule contains the following groups: Amide, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_446>.
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**Token:** <BB_446>
**SMILES:** CC1CC(C=O)=CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C12H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether
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Provide the SMILES representation for the building block token <BB_447>.
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CC(=O)Nc1cccc(OCCN)c1.Cl
|
|
What is the building block token for the following molecule?
|
CC(=O)Nc1cccc(OCCN)c1.Cl
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<BB_447>
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What is the molecular formula for <BB_447>?
|
The molecular formula for <BB_447> (CC(=O)Nc1cccc(OCCN)c1.Cl) is C10H15ClN2O2.
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|
Describe the ring structures in building block <BB_447>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_447>.
|
The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_447>.
|
**Token:** <BB_447>
**SMILES:** CC(=O)Nc1cccc(OCCN)c1.Cl
**Molecular Formula:** C10H15ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_448>.
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CCCCCCC1CCCNC1.Cl
|
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What is the building block token for the following molecule?
|
CCCCCCC1CCCNC1.Cl
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<BB_448>
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What is the molecular formula for <BB_448>?
|
The molecular formula for <BB_448> (CCCCCCC1CCCNC1.Cl) is C11H24ClN.
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Describe the ring structures in building block <BB_448>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_448>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_448>.
|
**Token:** <BB_448>
**SMILES:** CCCCCCC1CCCNC1.Cl
**Molecular Formula:** C11H24ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic 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_449>.
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CC(C)CCCC(C)NC(=O)CCl
|
|
What is the building block token for the following molecule?
|
CC(C)CCCC(C)NC(=O)CCl
|
<BB_449>
|
What is the molecular formula for <BB_449>?
|
The molecular formula for <BB_449> (CC(C)CCCC(C)NC(=O)CCl) is C10H20ClNO.
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|
Describe the ring structures in building block <BB_449>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_449>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_449>.
|
**Token:** <BB_449>
**SMILES:** CC(C)CCCC(C)NC(=O)CCl
**Molecular Formula:** C10H20ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
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