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List the primary functional groups present in <BB_9916>.
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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_9916>.
|
**Token:** <BB_9916>
**SMILES:** Oc1cccc(CCc2ccccc2)c1
**Molecular Formula:** C14H14O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific
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Provide the SMILES representation for the building block token <BB_9917>.
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ClCc1sc(Cl)cc1Cl
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What is the building block token for the following molecule?
|
ClCc1sc(Cl)cc1Cl
|
<BB_9917>
|
What is the molecular formula for <BB_9917>?
|
The molecular formula for <BB_9917> (ClCc1sc(Cl)cc1Cl) is C5H3Cl3S.
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Describe the ring structures in building block <BB_9917>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9917>.
|
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_9917>.
|
**Token:** <BB_9917>
**SMILES:** ClCc1sc(Cl)cc1Cl
**Molecular Formula:** C5H3Cl3S
**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_9918>.
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Cl.NC1(c2ccccc2F)CC(F)(F)C1
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What is the building block token for the following molecule?
|
Cl.NC1(c2ccccc2F)CC(F)(F)C1
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<BB_9918>
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What is the molecular formula for <BB_9918>?
|
The molecular formula for <BB_9918> (Cl.NC1(c2ccccc2F)CC(F)(F)C1) is C10H11ClF3N.
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Describe the ring structures in building block <BB_9918>.
|
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_9918>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9918>.
|
**Token:** <BB_9918>
**SMILES:** Cl.NC1(c2ccccc2F)CC(F)(F)C1
**Molecular Formula:** C10H11ClF3N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9919>.
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O=Cc1cnn(Cc2ccccc2)c1
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|
What is the building block token for the following molecule?
|
O=Cc1cnn(Cc2ccccc2)c1
|
<BB_9919>
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What is the molecular formula for <BB_9919>?
|
The molecular formula for <BB_9919> (O=Cc1cnn(Cc2ccccc2)c1) is C11H10N2O.
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Describe the ring structures in building block <BB_9919>.
|
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_9919>.
|
The molecule contains the following groups: Aldehyde.
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Provide a comprehensive chemical profile for the building block <BB_9919>.
|
**Token:** <BB_9919>
**SMILES:** O=Cc1cnn(Cc2ccccc2)c1
**Molecular Formula:** C11H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde
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Provide the SMILES representation for the building block token <BB_9920>.
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CC(C)(N)CN1CCCC1
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What is the building block token for the following molecule?
|
CC(C)(N)CN1CCCC1
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<BB_9920>
|
What is the molecular formula for <BB_9920>?
|
The molecular formula for <BB_9920> (CC(C)(N)CN1CCCC1) is C8H18N2.
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|
Describe the ring structures in building block <BB_9920>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_9920>.
|
The molecule contains the following groups: Amine, Tertiary Amine.
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|
Provide a comprehensive chemical profile for the building block <BB_9920>.
|
**Token:** <BB_9920>
**SMILES:** CC(C)(N)CN1CCCC1
**Molecular Formula:** C8H18N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine
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|
Provide the SMILES representation for the building block token <BB_9921>.
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COC(=O)C1CCCN1C(=O)OC(C)(C)C
|
|
What is the building block token for the following molecule?
|
COC(=O)C1CCCN1C(=O)OC(C)(C)C
|
<BB_9921>
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What is the molecular formula for <BB_9921>?
|
The molecular formula for <BB_9921> (COC(=O)C1CCCN1C(=O)OC(C)(C)C) is C11H19NO4.
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Describe the ring structures in building block <BB_9921>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9921>.
|
The molecule contains the following groups: Amide, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9921>.
|
**Token:** <BB_9921>
**SMILES:** COC(=O)C1CCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C11H19NO4
**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_9922>.
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O=C(O)c1cc(Br)cc(O)n1
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|
What is the building block token for the following molecule?
|
O=C(O)c1cc(Br)cc(O)n1
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<BB_9922>
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What is the molecular formula for <BB_9922>?
|
The molecular formula for <BB_9922> (O=C(O)c1cc(Br)cc(O)n1) is C6H4BrNO3.
|
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Describe the ring structures in building block <BB_9922>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9922>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9922>.
|
**Token:** <BB_9922>
**SMILES:** O=C(O)c1cc(Br)cc(O)n1
**Molecular Formula:** C6H4BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9923>.
|
OC[C@@H]1C[C@@H]1CO
|
|
What is the building block token for the following molecule?
|
OC[C@@H]1C[C@@H]1CO
|
<BB_9923>
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What is the molecular formula for <BB_9923>?
|
The molecular formula for <BB_9923> (OC[C@@H]1C[C@@H]1CO) is C5H10O2.
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Describe the ring structures in building block <BB_9923>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_9923>.
|
The molecule contains the following groups: Alcohol.
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|
Provide a comprehensive chemical profile for the building block <BB_9923>.
|
**Token:** <BB_9923>
**SMILES:** OC[C@@H]1C[C@@H]1CO
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol
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Provide the SMILES representation for the building block token <BB_9924>.
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Cl.N[C@H]1COc2ccc(Br)cc21
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What is the building block token for the following molecule?
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Cl.N[C@H]1COc2ccc(Br)cc21
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<BB_9924>
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What is the molecular formula for <BB_9924>?
|
The molecular formula for <BB_9924> (Cl.N[C@H]1COc2ccc(Br)cc21) is C8H9BrClNO.
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Describe the ring structures in building block <BB_9924>.
|
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_9924>.
|
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_9924>.
|
**Token:** <BB_9924>
**SMILES:** Cl.N[C@H]1COc2ccc(Br)cc21
**Molecular Formula:** C8H9BrClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9925>.
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Cn1ncnc1Cn1cc(Br)cn1
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|
What is the building block token for the following molecule?
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Cn1ncnc1Cn1cc(Br)cn1
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<BB_9925>
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What is the molecular formula for <BB_9925>?
|
The molecular formula for <BB_9925> (Cn1ncnc1Cn1cc(Br)cn1) is C7H8BrN5.
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Describe the ring structures in building block <BB_9925>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9925>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9925>.
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**Token:** <BB_9925>
**SMILES:** Cn1ncnc1Cn1cc(Br)cn1
**Molecular Formula:** C7H8BrN5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_9926>.
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COC(=O)c1ccc(OCCCCN)cc1.Cl
|
|
What is the building block token for the following molecule?
|
COC(=O)c1ccc(OCCCCN)cc1.Cl
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<BB_9926>
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What is the molecular formula for <BB_9926>?
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The molecular formula for <BB_9926> (COC(=O)c1ccc(OCCCCN)cc1.Cl) is C12H18ClNO3.
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Describe the ring structures in building block <BB_9926>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9926>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9926>.
|
**Token:** <BB_9926>
**SMILES:** COC(=O)c1ccc(OCCCCN)cc1.Cl
**Molecular Formula:** C12H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9927>.
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CCC(CC)(CCCN)C1OCCO1
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What is the building block token for the following molecule?
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CCC(CC)(CCCN)C1OCCO1
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<BB_9927>
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What is the molecular formula for <BB_9927>?
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The molecular formula for <BB_9927> (CCC(CC)(CCCN)C1OCCO1) is C11H23NO2.
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Describe the ring structures in building block <BB_9927>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9927>.
|
The molecule contains the following groups: Amine, Ether.
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|
Provide a comprehensive chemical profile for the building block <BB_9927>.
|
**Token:** <BB_9927>
**SMILES:** CCC(CC)(CCCN)C1OCCO1
**Molecular Formula:** C11H23NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether
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Provide the SMILES representation for the building block token <BB_9928>.
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NC1(c2ccc(Br)cn2)CCCC1
|
|
What is the building block token for the following molecule?
|
NC1(c2ccc(Br)cn2)CCCC1
|
<BB_9928>
|
What is the molecular formula for <BB_9928>?
|
The molecular formula for <BB_9928> (NC1(c2ccc(Br)cn2)CCCC1) is C10H13BrN2.
|
|
Describe the ring structures in building block <BB_9928>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9928>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9928>.
|
**Token:** <BB_9928>
**SMILES:** NC1(c2ccc(Br)cn2)CCCC1
**Molecular Formula:** C10H13BrN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic 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_9929>.
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O=C(O)c1c(Cl)cc(Cl)cc1C(F)F
|
|
What is the building block token for the following molecule?
|
O=C(O)c1c(Cl)cc(Cl)cc1C(F)F
|
<BB_9929>
|
What is the molecular formula for <BB_9929>?
|
The molecular formula for <BB_9929> (O=C(O)c1c(Cl)cc(Cl)cc1C(F)F) is C8H4Cl2F2O2.
|
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Describe the ring structures in building block <BB_9929>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9929>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9929>.
|
**Token:** <BB_9929>
**SMILES:** O=C(O)c1c(Cl)cc(Cl)cc1C(F)F
**Molecular Formula:** C8H4Cl2F2O2
**Ring System:** The molecule contains 1 ring(s): 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_9930>.
|
O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12
|
|
What is the building block token for the following molecule?
|
O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12
|
<BB_9930>
|
What is the molecular formula for <BB_9930>?
|
The molecular formula for <BB_9930> (O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12) is C7H9NO3.
|
|
Describe the ring structures in building block <BB_9930>.
|
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_9930>.
|
The molecule contains the following groups: Carboxylic Acid, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9930>.
|
**Token:** <BB_9930>
**SMILES:** O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12
**Molecular Formula:** C7H9NO3
**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
|
|
Provide the SMILES representation for the building block token <BB_9931>.
|
CC(C)(C)OC(=O)c1cccc(N)c1Br
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)c1cccc(N)c1Br
|
<BB_9931>
|
What is the molecular formula for <BB_9931>?
|
The molecular formula for <BB_9931> (CC(C)(C)OC(=O)c1cccc(N)c1Br) is C11H14BrNO2.
|
|
Describe the ring structures in building block <BB_9931>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9931>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9931>.
|
**Token:** <BB_9931>
**SMILES:** CC(C)(C)OC(=O)c1cccc(N)c1Br
**Molecular Formula:** C11H14BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9932>.
|
NCc1cccc(F)c1Br
|
|
What is the building block token for the following molecule?
|
NCc1cccc(F)c1Br
|
<BB_9932>
|
What is the molecular formula for <BB_9932>?
|
The molecular formula for <BB_9932> (NCc1cccc(F)c1Br) is C7H7BrFN.
|
|
Describe the ring structures in building block <BB_9932>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9932>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9932>.
|
**Token:** <BB_9932>
**SMILES:** NCc1cccc(F)c1Br
**Molecular Formula:** C7H7BrFN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9933>.
|
COC(=O)/C=C/c1ccc(Cl)s1
|
|
What is the building block token for the following molecule?
|
COC(=O)/C=C/c1ccc(Cl)s1
|
<BB_9933>
|
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