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What is the molecular formula for <BB_633>?
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The molecular formula for <BB_633> (O=S(=O)(Cl)c1cc2c(Br)cncc2s1) is C7H3BrClNO2S2.
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Describe the ring structures in building block <BB_633>.
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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_633>.
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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_633>.
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**Token:** <BB_633>
**SMILES:** O=S(=O)(Cl)c1cc2c(Br)cncc2s1
**Molecular Formula:** C7H3BrClNO2S2
**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_634>.
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CCc1nc(C)c(C(=O)O)o1
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What is the building block token for the following molecule?
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CCc1nc(C)c(C(=O)O)o1
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<BB_634>
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What is the molecular formula for <BB_634>?
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The molecular formula for <BB_634> (CCc1nc(C)c(C(=O)O)o1) is C7H9NO3.
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Describe the ring structures in building block <BB_634>.
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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_634>.
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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_634>.
|
**Token:** <BB_634>
**SMILES:** CCc1nc(C)c(C(=O)O)o1
**Molecular Formula:** C7H9NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_635>.
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O=C(O)c1cccc2nc(O)ccc12
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What is the building block token for the following molecule?
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O=C(O)c1cccc2nc(O)ccc12
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<BB_635>
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What is the molecular formula for <BB_635>?
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The molecular formula for <BB_635> (O=C(O)c1cccc2nc(O)ccc12) is C10H7NO3.
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Describe the ring structures in building block <BB_635>.
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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_635>.
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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_635>.
|
**Token:** <BB_635>
**SMILES:** O=C(O)c1cccc2nc(O)ccc12
**Molecular Formula:** C10H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_636>.
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NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
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What is the building block token for the following molecule?
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NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
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<BB_636>
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What is the molecular formula for <BB_636>?
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The molecular formula for <BB_636> (NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1) is C14H18N4.
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Describe the ring structures in building block <BB_636>.
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The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
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List the primary functional groups present in <BB_636>.
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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_636>.
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**Token:** <BB_636>
**SMILES:** NC1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
**Molecular Formula:** C14H18N4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_637>.
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CNC=Nc1ccc(C)cc1C.Cl
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What is the building block token for the following molecule?
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CNC=Nc1ccc(C)cc1C.Cl
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<BB_637>
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What is the molecular formula for <BB_637>?
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The molecular formula for <BB_637> (CNC=Nc1ccc(C)cc1C.Cl) is C10H15ClN2.
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Describe the ring structures in building block <BB_637>.
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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_637>.
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The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_637>.
|
**Token:** <BB_637>
**SMILES:** CNC=Nc1ccc(C)cc1C.Cl
**Molecular Formula:** C10H15ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_638>.
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FC(F)CNC1CCOCC1
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What is the building block token for the following molecule?
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FC(F)CNC1CCOCC1
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<BB_638>
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What is the molecular formula for <BB_638>?
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The molecular formula for <BB_638> (FC(F)CNC1CCOCC1) is C7H13F2NO.
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Describe the ring structures in building block <BB_638>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_638>.
|
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_638>.
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**Token:** <BB_638>
**SMILES:** FC(F)CNC1CCOCC1
**Molecular Formula:** C7H13F2NO
**Ring System:** The molecule contains 1 ring(s): 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_639>.
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O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1
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What is the building block token for the following molecule?
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O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1
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<BB_639>
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What is the molecular formula for <BB_639>?
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The molecular formula for <BB_639> (O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1) is C10H6F3NO2.
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Describe the ring structures in building block <BB_639>.
|
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_639>.
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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_639>.
|
**Token:** <BB_639>
**SMILES:** O=C(O)c1cc2cccc(C(F)(F)F)c2[nH]1
**Molecular Formula:** C10H6F3NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_640>.
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COc1ccccc1C(CN)N(C)C
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|
What is the building block token for the following molecule?
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COc1ccccc1C(CN)N(C)C
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<BB_640>
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What is the molecular formula for <BB_640>?
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The molecular formula for <BB_640> (COc1ccccc1C(CN)N(C)C) is C11H18N2O.
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Describe the ring structures in building block <BB_640>.
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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_640>.
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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_640>.
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**Token:** <BB_640>
**SMILES:** COc1ccccc1C(CN)N(C)C
**Molecular Formula:** C11H18N2O
**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_641>.
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CN(C)C(=O)c1cnc(Cl)cn1
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What is the building block token for the following molecule?
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CN(C)C(=O)c1cnc(Cl)cn1
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<BB_641>
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What is the molecular formula for <BB_641>?
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The molecular formula for <BB_641> (CN(C)C(=O)c1cnc(Cl)cn1) is C7H8ClN3O.
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Describe the ring structures in building block <BB_641>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_641>.
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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_641>.
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**Token:** <BB_641>
**SMILES:** CN(C)C(=O)c1cnc(Cl)cn1
**Molecular Formula:** C7H8ClN3O
**Ring System:** The molecule contains 1 ring(s): 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_642>.
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CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O
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<BB_642>
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What is the molecular formula for <BB_642>?
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The molecular formula for <BB_642> (CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O) is C9H17NO6S.
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Describe the ring structures in building block <BB_642>.
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The molecule is acyclic (contains no rings).
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|
List the primary functional groups present in <BB_642>.
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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_642>.
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**Token:** <BB_642>
**SMILES:** CC(C)(C)OC(=O)NCCS(=O)(=O)CC(=O)O
**Molecular Formula:** C9H17NO6S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether
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Provide the SMILES representation for the building block token <BB_643>.
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COc1cc(C(=O)O)cc([N+](=O)[O-])c1I
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What is the building block token for the following molecule?
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COc1cc(C(=O)O)cc([N+](=O)[O-])c1I
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<BB_643>
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What is the molecular formula for <BB_643>?
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The molecular formula for <BB_643> (COc1cc(C(=O)O)cc([N+](=O)[O-])c1I) is C8H6INO5.
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Describe the ring structures in building block <BB_643>.
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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_643>.
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The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro.
|
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Provide a comprehensive chemical profile for the building block <BB_643>.
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**Token:** <BB_643>
**SMILES:** COc1cc(C(=O)O)cc([N+](=O)[O-])c1I
**Molecular Formula:** C8H6INO5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro
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Provide the SMILES representation for the building block token <BB_644>.
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Cl.O=C(O)C(=O)Nc1ncc[nH]1
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What is the building block token for the following molecule?
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Cl.O=C(O)C(=O)Nc1ncc[nH]1
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<BB_644>
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What is the molecular formula for <BB_644>?
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The molecular formula for <BB_644> (Cl.O=C(O)C(=O)Nc1ncc[nH]1) is C5H6ClN3O3.
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Describe the ring structures in building block <BB_644>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_644>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_644>.
|
**Token:** <BB_644>
**SMILES:** Cl.O=C(O)C(=O)Nc1ncc[nH]1
**Molecular Formula:** C5H6ClN3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_645>.
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Cn1cnc2c(Cl)nc(N)nc21
|
|
What is the building block token for the following molecule?
|
Cn1cnc2c(Cl)nc(N)nc21
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<BB_645>
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What is the molecular formula for <BB_645>?
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The molecular formula for <BB_645> (Cn1cnc2c(Cl)nc(N)nc21) is C6H6ClN5.
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Describe the ring structures in building block <BB_645>.
|
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_645>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_645>.
|
**Token:** <BB_645>
**SMILES:** Cn1cnc2c(Cl)nc(N)nc21
**Molecular Formula:** C6H6ClN5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_646>.
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Cc1ccc2c(c1)CCC2(C)N.Cl
|
|
What is the building block token for the following molecule?
|
Cc1ccc2c(c1)CCC2(C)N.Cl
|
<BB_646>
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What is the molecular formula for <BB_646>?
|
The molecular formula for <BB_646> (Cc1ccc2c(c1)CCC2(C)N.Cl) is C11H16ClN.
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|
Describe the ring structures in building block <BB_646>.
|
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_646>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_646>.
|
**Token:** <BB_646>
**SMILES:** Cc1ccc2c(c1)CCC2(C)N.Cl
**Molecular Formula:** C11H16ClN
**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)
|
|
Provide the SMILES representation for the building block token <BB_647>.
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Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F
|
|
What is the building block token for the following molecule?
|
Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F
|
<BB_647>
|
What is the molecular formula for <BB_647>?
|
The molecular formula for <BB_647> (Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F) is C11H11ClF3NO2.
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Describe the ring structures in building block <BB_647>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_647>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_647>.
|
**Token:** <BB_647>
**SMILES:** Clc1ccc(C2CNC2)cc1.O=C(O)C(F)(F)F
**Molecular Formula:** C11H11ClF3NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**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_648>.
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COC(=O)c1cccc(N=[N+]=[N-])c1C
|
|
What is the building block token for the following molecule?
|
COC(=O)c1cccc(N=[N+]=[N-])c1C
|
<BB_648>
|
What is the molecular formula for <BB_648>?
|
The molecular formula for <BB_648> (COC(=O)c1cccc(N=[N+]=[N-])c1C) is C9H9N3O2.
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|
Describe the ring structures in building block <BB_648>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_648>.
|
The molecule contains the following groups: Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_648>.
|
**Token:** <BB_648>
**SMILES:** COC(=O)c1cccc(N=[N+]=[N-])c1C
**Molecular Formula:** C9H9N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
|
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Provide the SMILES representation for the building block token <BB_649>.
|
Nc1ncc([N+](=O)[O-])cc1C(=O)O
|
|
What is the building block token for the following molecule?
|
Nc1ncc([N+](=O)[O-])cc1C(=O)O
|
<BB_649>
|
What is the molecular formula for <BB_649>?
|
The molecular formula for <BB_649> (Nc1ncc([N+](=O)[O-])cc1C(=O)O) is C6H5N3O4.
|
|
Describe the ring structures in building block <BB_649>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_649>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_649>.
|
**Token:** <BB_649>
**SMILES:** Nc1ncc([N+](=O)[O-])cc1C(=O)O
**Molecular Formula:** C6H5N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Tertiary Amine, Nitro
|
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