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Provide the SMILES representation for the building block token <BB_600>.
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FC(F)(F)c1ncnc(Cl)c1Br
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|
What is the building block token for the following molecule?
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FC(F)(F)c1ncnc(Cl)c1Br
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<BB_600>
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What is the molecular formula for <BB_600>?
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The molecular formula for <BB_600> (FC(F)(F)c1ncnc(Cl)c1Br) is C5HBrClF3N2.
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Describe the ring structures in building block <BB_600>.
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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_600>.
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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_600>.
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**Token:** <BB_600>
**SMILES:** FC(F)(F)c1ncnc(Cl)c1Br
**Molecular Formula:** C5HBrClF3N2
**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_601>.
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Cc1ccc(C(=O)O)c2c1CNCC2.Cl
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What is the building block token for the following molecule?
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Cc1ccc(C(=O)O)c2c1CNCC2.Cl
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<BB_601>
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What is the molecular formula for <BB_601>?
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The molecular formula for <BB_601> (Cc1ccc(C(=O)O)c2c1CNCC2.Cl) is C11H14ClNO2.
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Describe the ring structures in building block <BB_601>.
|
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_601>.
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The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_601>.
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**Token:** <BB_601>
**SMILES:** Cc1ccc(C(=O)O)c2c1CNCC2.Cl
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_602>.
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Cl.NC(Cc1ccnc(S)c1)C(=O)O
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What is the building block token for the following molecule?
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Cl.NC(Cc1ccnc(S)c1)C(=O)O
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<BB_602>
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What is the molecular formula for <BB_602>?
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The molecular formula for <BB_602> (Cl.NC(Cc1ccnc(S)c1)C(=O)O) is C8H11ClN2O2S.
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Describe the ring structures in building block <BB_602>.
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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_602>.
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The molecule contains the following groups: Carboxylic Acid, Amine, Thiol, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_602>.
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**Token:** <BB_602>
**SMILES:** Cl.NC(Cc1ccnc(S)c1)C(=O)O
**Molecular Formula:** C8H11ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Thiol, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_603>.
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Cc1sc(Br)c(C)c1C(=O)O
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What is the building block token for the following molecule?
|
Cc1sc(Br)c(C)c1C(=O)O
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<BB_603>
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What is the molecular formula for <BB_603>?
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The molecular formula for <BB_603> (Cc1sc(Br)c(C)c1C(=O)O) is C7H7BrO2S.
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Describe the ring structures in building block <BB_603>.
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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_603>.
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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_603>.
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**Token:** <BB_603>
**SMILES:** Cc1sc(Br)c(C)c1C(=O)O
**Molecular Formula:** C7H7BrO2S
**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_604>.
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Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1
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What is the building block token for the following molecule?
|
Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1
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<BB_604>
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What is the molecular formula for <BB_604>?
|
The molecular formula for <BB_604> (Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1) is C12H16N2O3S2.
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Describe the ring structures in building block <BB_604>.
|
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_604>.
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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_604>.
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**Token:** <BB_604>
**SMILES:** Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1
**Molecular Formula:** C12H16N2O3S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_605>.
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Cc1ccc(OCCBr)cc1
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What is the building block token for the following molecule?
|
Cc1ccc(OCCBr)cc1
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<BB_605>
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What is the molecular formula for <BB_605>?
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The molecular formula for <BB_605> (Cc1ccc(OCCBr)cc1) is C9H11BrO.
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Describe the ring structures in building block <BB_605>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_605>.
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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_605>.
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**Token:** <BB_605>
**SMILES:** Cc1ccc(OCCBr)cc1
**Molecular Formula:** C9H11BrO
**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_606>.
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Ic1c[nH]c2cncnc12
|
|
What is the building block token for the following molecule?
|
Ic1c[nH]c2cncnc12
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<BB_606>
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What is the molecular formula for <BB_606>?
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The molecular formula for <BB_606> (Ic1c[nH]c2cncnc12) is C6H4IN3.
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Describe the ring structures in building block <BB_606>.
|
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_606>.
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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_606>.
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**Token:** <BB_606>
**SMILES:** Ic1c[nH]c2cncnc12
**Molecular Formula:** C6H4IN3
**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_607>.
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O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
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What is the building block token for the following molecule?
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O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
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<BB_607>
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What is the molecular formula for <BB_607>?
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The molecular formula for <BB_607> (O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1) is C13H15NO4.
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Describe the ring structures in building block <BB_607>.
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The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_607>.
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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_607>.
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**Token:** <BB_607>
**SMILES:** O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
**Molecular Formula:** C13H15NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether
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Provide the SMILES representation for the building block token <BB_608>.
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CCCC[Sn](CCCC)(CCCC)c1ccnnc1
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What is the building block token for the following molecule?
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CCCC[Sn](CCCC)(CCCC)c1ccnnc1
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<BB_608>
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What is the molecular formula for <BB_608>?
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The molecular formula for <BB_608> (CCCC[Sn](CCCC)(CCCC)c1ccnnc1) is C16H30N2Sn.
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Describe the ring structures in building block <BB_608>.
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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_608>.
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The molecule contains the following groups: None specific.
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Provide a comprehensive chemical profile for the building block <BB_608>.
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**Token:** <BB_608>
**SMILES:** CCCC[Sn](CCCC)(CCCC)c1ccnnc1
**Molecular Formula:** C16H30N2Sn
**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_609>.
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CC(C)(C)OC(=O)C1(C)CCNCC1
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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)CCNCC1
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<BB_609>
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What is the molecular formula for <BB_609>?
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The molecular formula for <BB_609> (CC(C)(C)OC(=O)C1(C)CCNCC1) is C11H21NO2.
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Describe the ring structures in building block <BB_609>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_609>.
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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_609>.
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**Token:** <BB_609>
**SMILES:** CC(C)(C)OC(=O)C1(C)CCNCC1
**Molecular Formula:** C11H21NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether
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Provide the SMILES representation for the building block token <BB_610>.
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CC1CCCN(Cc2ccccc2CN)C1
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What is the building block token for the following molecule?
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CC1CCCN(Cc2ccccc2CN)C1
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<BB_610>
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What is the molecular formula for <BB_610>?
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The molecular formula for <BB_610> (CC1CCCN(Cc2ccccc2CN)C1) is C14H22N2.
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Describe the ring structures in building block <BB_610>.
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The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_610>.
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The molecule contains the following groups: Amine, Tertiary Amine.
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Provide a comprehensive chemical profile for the building block <BB_610>.
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**Token:** <BB_610>
**SMILES:** CC1CCCN(Cc2ccccc2CN)C1
**Molecular Formula:** C14H22N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine
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Provide the SMILES representation for the building block token <BB_611>.
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Cc1ccccc1-c1noc(C)c1C(=O)O
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What is the building block token for the following molecule?
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Cc1ccccc1-c1noc(C)c1C(=O)O
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<BB_611>
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What is the molecular formula for <BB_611>?
|
The molecular formula for <BB_611> (Cc1ccccc1-c1noc(C)c1C(=O)O) is C12H11NO3.
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Describe the ring structures in building block <BB_611>.
|
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_611>.
|
The molecule contains the following groups: Carboxylic Acid.
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Provide a comprehensive chemical profile for the building block <BB_611>.
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**Token:** <BB_611>
**SMILES:** Cc1ccccc1-c1noc(C)c1C(=O)O
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_612>.
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COC(=O)CC(C)(F)F
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What is the building block token for the following molecule?
|
COC(=O)CC(C)(F)F
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<BB_612>
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What is the molecular formula for <BB_612>?
|
The molecular formula for <BB_612> (COC(=O)CC(C)(F)F) is C5H8F2O2.
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Describe the ring structures in building block <BB_612>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_612>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_612>.
|
**Token:** <BB_612>
**SMILES:** COC(=O)CC(C)(F)F
**Molecular Formula:** C5H8F2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_613>.
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COC(=O)C(C#N)c1ccccc1
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What is the building block token for the following molecule?
|
COC(=O)C(C#N)c1ccccc1
|
<BB_613>
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What is the molecular formula for <BB_613>?
|
The molecular formula for <BB_613> (COC(=O)C(C#N)c1ccccc1) is C10H9NO2.
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Describe the ring structures in building block <BB_613>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_613>.
|
The molecule contains the following groups: Ester, Ether, Nitrile.
|
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Provide a comprehensive chemical profile for the building block <BB_613>.
|
**Token:** <BB_613>
**SMILES:** COC(=O)C(C#N)c1ccccc1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_614>.
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C[Si](C)(C)C1(CO)CC1
|
|
What is the building block token for the following molecule?
|
C[Si](C)(C)C1(CO)CC1
|
<BB_614>
|
What is the molecular formula for <BB_614>?
|
The molecular formula for <BB_614> (C[Si](C)(C)C1(CO)CC1) is C7H16OSi.
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Describe the ring structures in building block <BB_614>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_614>.
|
The molecule contains the following groups: Alcohol.
|
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Provide a comprehensive chemical profile for the building block <BB_614>.
|
**Token:** <BB_614>
**SMILES:** C[Si](C)(C)C1(CO)CC1
**Molecular Formula:** C7H16OSi
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol
|
|
Provide the SMILES representation for the building block token <BB_615>.
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CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2
|
<BB_615>
|
What is the molecular formula for <BB_615>?
|
The molecular formula for <BB_615> (CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2) is C13H21NO4.
|
|
Describe the ring structures in building block <BB_615>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_615>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_615>.
|
**Token:** <BB_615>
**SMILES:** CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2
**Molecular Formula:** C13H21NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_616>.
|
Cl.Nc1cccc(F)c1OC(F)(F)F
|
|
What is the building block token for the following molecule?
|
Cl.Nc1cccc(F)c1OC(F)(F)F
|
<BB_616>
|
What is the molecular formula for <BB_616>?
|
The molecular formula for <BB_616> (Cl.Nc1cccc(F)c1OC(F)(F)F) is C7H6ClF4NO.
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Describe the ring structures in building block <BB_616>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
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