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What is the molecular formula for <BB_533>?
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The molecular formula for <BB_533> (CCc1ccccc1[C@@H]1C[C@H]1C(=O)O) is C12H14O2.
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Describe the ring structures in building block <BB_533>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
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List the primary functional groups present in <BB_533>.
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The molecule contains the following groups: Carboxylic Acid.
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Provide a comprehensive chemical profile for the building block <BB_533>.
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**Token:** <BB_533>
**SMILES:** CCc1ccccc1[C@@H]1C[C@H]1C(=O)O
**Molecular Formula:** C12H14O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_534>.
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CCOc1ccc(/C=C/c2ccncc2)cc1
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What is the building block token for the following molecule?
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CCOc1ccc(/C=C/c2ccncc2)cc1
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<BB_534>
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What is the molecular formula for <BB_534>?
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The molecular formula for <BB_534> (CCOc1ccc(/C=C/c2ccncc2)cc1) is C15H15NO.
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Describe the ring structures in building block <BB_534>.
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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_534>.
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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_534>.
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**Token:** <BB_534>
**SMILES:** CCOc1ccc(/C=C/c2ccncc2)cc1
**Molecular Formula:** C15H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether
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Provide the SMILES representation for the building block token <BB_535>.
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O=C(O)Cn1cc(C(=O)O)c2ccccc21
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What is the building block token for the following molecule?
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O=C(O)Cn1cc(C(=O)O)c2ccccc21
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<BB_535>
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What is the molecular formula for <BB_535>?
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The molecular formula for <BB_535> (O=C(O)Cn1cc(C(=O)O)c2ccccc21) is C11H9NO4.
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Describe the ring structures in building block <BB_535>.
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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_535>.
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The molecule contains the following groups: Carboxylic Acid.
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Provide a comprehensive chemical profile for the building block <BB_535>.
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**Token:** <BB_535>
**SMILES:** O=C(O)Cn1cc(C(=O)O)c2ccccc21
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_536>.
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CN(C)CCOc1ccccc1N1CCNCC1
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What is the building block token for the following molecule?
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CN(C)CCOc1ccccc1N1CCNCC1
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<BB_536>
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What is the molecular formula for <BB_536>?
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The molecular formula for <BB_536> (CN(C)CCOc1ccccc1N1CCNCC1) is C14H23N3O.
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Describe the ring structures in building block <BB_536>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
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List the primary functional groups present in <BB_536>.
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The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_536>.
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**Token:** <BB_536>
**SMILES:** CN(C)CCOc1ccccc1N1CCNCC1
**Molecular Formula:** C14H23N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether
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Provide the SMILES representation for the building block token <BB_537>.
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C=COc1ccc(Br)cc1
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What is the building block token for the following molecule?
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C=COc1ccc(Br)cc1
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<BB_537>
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What is the molecular formula for <BB_537>?
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The molecular formula for <BB_537> (C=COc1ccc(Br)cc1) is C8H7BrO.
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Describe the ring structures in building block <BB_537>.
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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_537>.
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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_537>.
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**Token:** <BB_537>
**SMILES:** C=COc1ccc(Br)cc1
**Molecular Formula:** C8H7BrO
**Ring System:** The molecule contains 1 ring(s): 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_538>.
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CN1Cc2[nH]nc(Br)c2C1
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What is the building block token for the following molecule?
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CN1Cc2[nH]nc(Br)c2C1
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<BB_538>
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What is the molecular formula for <BB_538>?
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The molecular formula for <BB_538> (CN1Cc2[nH]nc(Br)c2C1) is C6H8BrN3.
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Describe the ring structures in building block <BB_538>.
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The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
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List the primary functional groups present in <BB_538>.
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The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_538>.
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**Token:** <BB_538>
**SMILES:** CN1Cc2[nH]nc(Br)c2C1
**Molecular Formula:** C6H8BrN3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_539>.
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O=S(=O)(Cl)CCc1noc2ccccc12
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What is the building block token for the following molecule?
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O=S(=O)(Cl)CCc1noc2ccccc12
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<BB_539>
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What is the molecular formula for <BB_539>?
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The molecular formula for <BB_539> (O=S(=O)(Cl)CCc1noc2ccccc12) is C9H8ClNO3S.
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Describe the ring structures in building block <BB_539>.
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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_539>.
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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_539>.
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**Token:** <BB_539>
**SMILES:** O=S(=O)(Cl)CCc1noc2ccccc12
**Molecular Formula:** C9H8ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_540>.
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COc1ccc(Br)c2c1CNCC2
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What is the building block token for the following molecule?
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COc1ccc(Br)c2c1CNCC2
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<BB_540>
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What is the molecular formula for <BB_540>?
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The molecular formula for <BB_540> (COc1ccc(Br)c2c1CNCC2) is C10H12BrNO.
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Describe the ring structures in building block <BB_540>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
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List the primary functional groups present in <BB_540>.
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The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_540>.
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**Token:** <BB_540>
**SMILES:** COc1ccc(Br)c2c1CNCC2
**Molecular Formula:** C10H12BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_541>.
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Cc1ccc(Br)cc1NN.Cl
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What is the building block token for the following molecule?
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Cc1ccc(Br)cc1NN.Cl
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<BB_541>
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What is the molecular formula for <BB_541>?
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The molecular formula for <BB_541> (Cc1ccc(Br)cc1NN.Cl) is C7H10BrClN2.
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Describe the ring structures in building block <BB_541>.
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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_541>.
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The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_541>.
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**Token:** <BB_541>
**SMILES:** Cc1ccc(Br)cc1NN.Cl
**Molecular Formula:** C7H10BrClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_542>.
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Br.BrCc1cncs1
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What is the building block token for the following molecule?
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Br.BrCc1cncs1
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<BB_542>
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What is the molecular formula for <BB_542>?
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The molecular formula for <BB_542> (Br.BrCc1cncs1) is C4H5Br2NS.
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Describe the ring structures in building block <BB_542>.
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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_542>.
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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_542>.
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**Token:** <BB_542>
**SMILES:** Br.BrCc1cncs1
**Molecular Formula:** C4H5Br2NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_543>.
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COC(=O)C1CCC(=O)N1C(C)C
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What is the building block token for the following molecule?
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COC(=O)C1CCC(=O)N1C(C)C
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<BB_543>
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What is the molecular formula for <BB_543>?
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The molecular formula for <BB_543> (COC(=O)C1CCC(=O)N1C(C)C) is C9H15NO3.
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Describe the ring structures in building block <BB_543>.
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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_543>.
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The molecule contains the following groups: Amide, Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_543>.
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**Token:** <BB_543>
**SMILES:** COC(=O)C1CCC(=O)N1C(C)C
**Molecular Formula:** C9H15NO3
**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_544>.
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Brc1sc(Br)c2nccnc12
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What is the building block token for the following molecule?
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Brc1sc(Br)c2nccnc12
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<BB_544>
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What is the molecular formula for <BB_544>?
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The molecular formula for <BB_544> (Brc1sc(Br)c2nccnc12) is C6H2Br2N2S.
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Describe the ring structures in building block <BB_544>.
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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_544>.
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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_544>.
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**Token:** <BB_544>
**SMILES:** Brc1sc(Br)c2nccnc12
**Molecular Formula:** C6H2Br2N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_545>.
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Cl.NCC12CC(C(=O)O)(CCO1)C2
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What is the building block token for the following molecule?
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Cl.NCC12CC(C(=O)O)(CCO1)C2
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<BB_545>
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What is the molecular formula for <BB_545>?
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The molecular formula for <BB_545> (Cl.NCC12CC(C(=O)O)(CCO1)C2) is C8H14ClNO3.
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Describe the ring structures in building block <BB_545>.
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The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_545>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_545>.
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**Token:** <BB_545>
**SMILES:** Cl.NCC12CC(C(=O)O)(CCO1)C2
**Molecular Formula:** C8H14ClNO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_546>.
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O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
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What is the building block token for the following molecule?
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O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
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<BB_546>
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What is the molecular formula for <BB_546>?
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The molecular formula for <BB_546> (O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1) is C10H5Cl2NO2.
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Describe the ring structures in building block <BB_546>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_546>.
|
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_546>.
|
**Token:** <BB_546>
**SMILES:** O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
**Molecular Formula:** C10H5Cl2NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_547>.
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Cn1cncc1NC(=O)OC(C)(C)C
|
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What is the building block token for the following molecule?
|
Cn1cncc1NC(=O)OC(C)(C)C
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<BB_547>
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What is the molecular formula for <BB_547>?
|
The molecular formula for <BB_547> (Cn1cncc1NC(=O)OC(C)(C)C) is C9H15N3O2.
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Describe the ring structures in building block <BB_547>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_547>.
|
The molecule contains the following groups: Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_547>.
|
**Token:** <BB_547>
**SMILES:** Cn1cncc1NC(=O)OC(C)(C)C
**Molecular Formula:** C9H15N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Ether
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Provide the SMILES representation for the building block token <BB_548>.
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Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1
|
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What is the building block token for the following molecule?
|
Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1
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<BB_548>
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What is the molecular formula for <BB_548>?
|
The molecular formula for <BB_548> (Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1) is C9H8N4O2.
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Describe the ring structures in building block <BB_548>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_548>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Nitro.
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Provide a comprehensive chemical profile for the building block <BB_548>.
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**Token:** <BB_548>
**SMILES:** Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1
**Molecular Formula:** C9H8N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro
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|
Provide the SMILES representation for the building block token <BB_549>.
|
CCn1c(CCCCCN)nnc1SC.I
|
|
What is the building block token for the following molecule?
|
CCn1c(CCCCCN)nnc1SC.I
|
<BB_549>
|
What is the molecular formula for <BB_549>?
|
The molecular formula for <BB_549> (CCn1c(CCCCCN)nnc1SC.I) is C10H21IN4S.
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Describe the ring structures in building block <BB_549>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_549>.
|
The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_549>.
|
**Token:** <BB_549>
**SMILES:** CCn1c(CCCCCN)nnc1SC.I
**Molecular Formula:** C10H21IN4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I)
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