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What is the molecular formula for <BB_683>?
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The molecular formula for <BB_683> (Cc1ccc2ccc(N)c(O)c2n1) is C10H10N2O.
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Describe the ring structures in building block <BB_683>.
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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_683>.
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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_683>.
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**Token:** <BB_683>
**SMILES:** Cc1ccc2ccc(N)c(O)c2n1
**Molecular Formula:** C10H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_684>.
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CC(Br)C(=O)c1cccc(Cl)c1
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What is the building block token for the following molecule?
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CC(Br)C(=O)c1cccc(Cl)c1
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<BB_684>
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What is the molecular formula for <BB_684>?
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The molecular formula for <BB_684> (CC(Br)C(=O)c1cccc(Cl)c1) is C9H8BrClO.
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Describe the ring structures in building block <BB_684>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_684>.
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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_684>.
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**Token:** <BB_684>
**SMILES:** CC(Br)C(=O)c1cccc(Cl)c1
**Molecular Formula:** C9H8BrClO
**Ring System:** The molecule contains 1 ring(s): 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_685>.
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COc1ncnc(N(C)C)c1N
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What is the building block token for the following molecule?
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COc1ncnc(N(C)C)c1N
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<BB_685>
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What is the molecular formula for <BB_685>?
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The molecular formula for <BB_685> (COc1ncnc(N(C)C)c1N) is C7H12N4O.
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Describe the ring structures in building block <BB_685>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_685>.
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The molecule contains the following groups: Amine, Tertiary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_685>.
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**Token:** <BB_685>
**SMILES:** COc1ncnc(N(C)C)c1N
**Molecular Formula:** C7H12N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether
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Provide the SMILES representation for the building block token <BB_686>.
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O=S(=O)(Cl)c1cnn(-c2ccccc2)c1
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What is the building block token for the following molecule?
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O=S(=O)(Cl)c1cnn(-c2ccccc2)c1
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<BB_686>
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What is the molecular formula for <BB_686>?
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The molecular formula for <BB_686> (O=S(=O)(Cl)c1cnn(-c2ccccc2)c1) is C9H7ClN2O2S.
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Describe the ring structures in building block <BB_686>.
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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_686>.
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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_686>.
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**Token:** <BB_686>
**SMILES:** O=S(=O)(Cl)c1cnn(-c2ccccc2)c1
**Molecular Formula:** C9H7ClN2O2S
**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_687>.
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CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl
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What is the building block token for the following molecule?
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CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl
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<BB_687>
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What is the molecular formula for <BB_687>?
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The molecular formula for <BB_687> (CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl) is C9H16ClNO2.
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Describe the ring structures in building block <BB_687>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_687>.
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The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_687>.
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**Token:** <BB_687>
**SMILES:** CCOC(=O)[C@@H]1[C@H]2CC[C@H](N)[C@H]21.Cl
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_688>.
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CCC(O)CCc1cccnc1
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What is the building block token for the following molecule?
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CCC(O)CCc1cccnc1
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<BB_688>
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What is the molecular formula for <BB_688>?
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The molecular formula for <BB_688> (CCC(O)CCc1cccnc1) is C10H15NO.
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Describe the ring structures in building block <BB_688>.
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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_688>.
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The molecule contains the following groups: Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_688>.
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**Token:** <BB_688>
**SMILES:** CCC(O)CCc1cccnc1
**Molecular Formula:** C10H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol
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Provide the SMILES representation for the building block token <BB_689>.
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CC(C)(C)OC(=O)NCC1CNCCCO1
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)NCC1CNCCCO1
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<BB_689>
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What is the molecular formula for <BB_689>?
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The molecular formula for <BB_689> (CC(C)(C)OC(=O)NCC1CNCCCO1) is C11H22N2O3.
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Describe the ring structures in building block <BB_689>.
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The molecule contains 1 ring(s): an aliphatic ring of size 7.
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List the primary functional groups present in <BB_689>.
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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_689>.
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**Token:** <BB_689>
**SMILES:** CC(C)(C)OC(=O)NCC1CNCCCO1
**Molecular Formula:** C11H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether
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Provide the SMILES representation for the building block token <BB_690>.
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O=C(O)Cc1sncc1Br
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What is the building block token for the following molecule?
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O=C(O)Cc1sncc1Br
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<BB_690>
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What is the molecular formula for <BB_690>?
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The molecular formula for <BB_690> (O=C(O)Cc1sncc1Br) is C5H4BrNO2S.
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Describe the ring structures in building block <BB_690>.
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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_690>.
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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_690>.
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**Token:** <BB_690>
**SMILES:** O=C(O)Cc1sncc1Br
**Molecular Formula:** C5H4BrNO2S
**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_691>.
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O=C(O)c1ccc(Cl)c(N2CCOCC2)c1
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What is the building block token for the following molecule?
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O=C(O)c1ccc(Cl)c(N2CCOCC2)c1
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<BB_691>
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What is the molecular formula for <BB_691>?
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The molecular formula for <BB_691> (O=C(O)c1ccc(Cl)c(N2CCOCC2)c1) is C11H12ClNO3.
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Describe the ring structures in building block <BB_691>.
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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_691>.
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The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_691>.
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**Token:** <BB_691>
**SMILES:** O=C(O)c1ccc(Cl)c(N2CCOCC2)c1
**Molecular Formula:** C11H12ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_692>.
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CC(C)(C)OC(=O)NCCC1CNCCCO1
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)NCCC1CNCCCO1
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<BB_692>
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What is the molecular formula for <BB_692>?
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The molecular formula for <BB_692> (CC(C)(C)OC(=O)NCCC1CNCCCO1) is C12H24N2O3.
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Describe the ring structures in building block <BB_692>.
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The molecule contains 1 ring(s): an aliphatic ring of size 7.
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|
List the primary functional groups present in <BB_692>.
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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_692>.
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**Token:** <BB_692>
**SMILES:** CC(C)(C)OC(=O)NCCC1CNCCCO1
**Molecular Formula:** C12H24N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ether
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Provide the SMILES representation for the building block token <BB_693>.
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CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1
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<BB_693>
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What is the molecular formula for <BB_693>?
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The molecular formula for <BB_693> (CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1) is C10H14F2O3.
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Describe the ring structures in building block <BB_693>.
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The molecule contains 1 ring(s): an aliphatic ring of size 4.
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List the primary functional groups present in <BB_693>.
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The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_693>.
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**Token:** <BB_693>
**SMILES:** CC(C)(C)OC(=O)C1(C(F)F)CC(=O)C1
**Molecular Formula:** C10H14F2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_694>.
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CCOC(=O)C1CNCC12CCC2
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What is the building block token for the following molecule?
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CCOC(=O)C1CNCC12CCC2
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<BB_694>
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What is the molecular formula for <BB_694>?
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The molecular formula for <BB_694> (CCOC(=O)C1CNCC12CCC2) is C10H17NO2.
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Describe the ring structures in building block <BB_694>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
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List the primary functional groups present in <BB_694>.
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The molecule contains the following groups: Secondary Amine, Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_694>.
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**Token:** <BB_694>
**SMILES:** CCOC(=O)C1CNCC12CCC2
**Molecular Formula:** C10H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ester, Ether
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Provide the SMILES representation for the building block token <BB_695>.
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Cl.NC1COC2(CCOC2)C1
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What is the building block token for the following molecule?
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Cl.NC1COC2(CCOC2)C1
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<BB_695>
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What is the molecular formula for <BB_695>?
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The molecular formula for <BB_695> (Cl.NC1COC2(CCOC2)C1) is C7H14ClNO2.
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Describe the ring structures in building block <BB_695>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_695>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_695>.
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**Token:** <BB_695>
**SMILES:** Cl.NC1COC2(CCOC2)C1
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_696>.
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Nc1ncc(Br)nc1OC1CCC1
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What is the building block token for the following molecule?
|
Nc1ncc(Br)nc1OC1CCC1
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<BB_696>
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What is the molecular formula for <BB_696>?
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The molecular formula for <BB_696> (Nc1ncc(Br)nc1OC1CCC1) is C8H10BrN3O.
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Describe the ring structures in building block <BB_696>.
|
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_696>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_696>.
|
**Token:** <BB_696>
**SMILES:** Nc1ncc(Br)nc1OC1CCC1
**Molecular Formula:** C8H10BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_697>.
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O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2
|
|
What is the building block token for the following molecule?
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O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2
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<BB_697>
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What is the molecular formula for <BB_697>?
|
The molecular formula for <BB_697> (O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2) is C12H9F3O4.
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Describe the ring structures in building block <BB_697>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_697>.
|
The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_697>.
|
**Token:** <BB_697>
**SMILES:** O=C(CC(=O)C(F)(F)F)c1ccc2c(c1)OCCO2
**Molecular Formula:** C12H9F3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_698>.
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O=S(=O)(Cl)CC1(CC(F)F)CCC1
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|
What is the building block token for the following molecule?
|
O=S(=O)(Cl)CC1(CC(F)F)CCC1
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<BB_698>
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What is the molecular formula for <BB_698>?
|
The molecular formula for <BB_698> (O=S(=O)(Cl)CC1(CC(F)F)CCC1) is C7H11ClF2O2S.
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Describe the ring structures in building block <BB_698>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_698>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_698>.
|
**Token:** <BB_698>
**SMILES:** O=S(=O)(Cl)CC1(CC(F)F)CCC1
**Molecular Formula:** C7H11ClF2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_699>.
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COc1cnc(C(=O)O)nc1Cl
|
|
What is the building block token for the following molecule?
|
COc1cnc(C(=O)O)nc1Cl
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<BB_699>
|
What is the molecular formula for <BB_699>?
|
The molecular formula for <BB_699> (COc1cnc(C(=O)O)nc1Cl) is C6H5ClN2O3.
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Describe the ring structures in building block <BB_699>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_699>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_699>.
|
**Token:** <BB_699>
**SMILES:** COc1cnc(C(=O)O)nc1Cl
**Molecular Formula:** C6H5ClN2O3
**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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