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Provide the SMILES representation for the building block token <BB_300>.
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NC1CCN(Cc2ccsc2)CC1
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|
What is the building block token for the following molecule?
|
NC1CCN(Cc2ccsc2)CC1
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<BB_300>
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What is the molecular formula for <BB_300>?
|
The molecular formula for <BB_300> (NC1CCN(Cc2ccsc2)CC1) is C10H16N2S.
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|
Describe the ring structures in building block <BB_300>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_300>.
|
The molecule contains the following groups: Amine, Tertiary Amine.
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Provide a comprehensive chemical profile for the building block <BB_300>.
|
**Token:** <BB_300>
**SMILES:** NC1CCN(Cc2ccsc2)CC1
**Molecular Formula:** C10H16N2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine
|
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Provide the SMILES representation for the building block token <BB_301>.
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N#CC(NC(=O)c1ccccc1)C1CC1
|
|
What is the building block token for the following molecule?
|
N#CC(NC(=O)c1ccccc1)C1CC1
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<BB_301>
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What is the molecular formula for <BB_301>?
|
The molecular formula for <BB_301> (N#CC(NC(=O)c1ccccc1)C1CC1) is C12H12N2O.
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Describe the ring structures in building block <BB_301>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_301>.
|
The molecule contains the following groups: Amide, Nitrile.
|
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Provide a comprehensive chemical profile for the building block <BB_301>.
|
**Token:** <BB_301>
**SMILES:** N#CC(NC(=O)c1ccccc1)C1CC1
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amide, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_302>.
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Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br
|
|
What is the building block token for the following molecule?
|
Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br
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<BB_302>
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What is the molecular formula for <BB_302>?
|
The molecular formula for <BB_302> (Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br) is C12H11BrN2O2.
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Describe the ring structures in building block <BB_302>.
|
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_302>.
|
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_302>.
|
**Token:** <BB_302>
**SMILES:** Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br
**Molecular Formula:** C12H11BrN2O2
**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_303>.
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CC(C)N(C(=O)CCl)C1CCCCC1
|
|
What is the building block token for the following molecule?
|
CC(C)N(C(=O)CCl)C1CCCCC1
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<BB_303>
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What is the molecular formula for <BB_303>?
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The molecular formula for <BB_303> (CC(C)N(C(=O)CCl)C1CCCCC1) is C11H20ClNO.
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Describe the ring structures in building block <BB_303>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_303>.
|
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_303>.
|
**Token:** <BB_303>
**SMILES:** CC(C)N(C(=O)CCl)C1CCCCC1
**Molecular Formula:** C11H20ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic 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_304>.
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Nc1cccc(CN2CCCCC2)c1
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|
What is the building block token for the following molecule?
|
Nc1cccc(CN2CCCCC2)c1
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<BB_304>
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What is the molecular formula for <BB_304>?
|
The molecular formula for <BB_304> (Nc1cccc(CN2CCCCC2)c1) is C12H18N2.
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Describe the ring structures in building block <BB_304>.
|
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_304>.
|
The molecule contains the following groups: Amine, Tertiary Amine.
|
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Provide a comprehensive chemical profile for the building block <BB_304>.
|
**Token:** <BB_304>
**SMILES:** Nc1cccc(CN2CCCCC2)c1
**Molecular Formula:** C12H18N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine
|
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Provide the SMILES representation for the building block token <BB_305>.
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N#Cc1coc(C2CCC2)n1
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What is the building block token for the following molecule?
|
N#Cc1coc(C2CCC2)n1
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<BB_305>
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What is the molecular formula for <BB_305>?
|
The molecular formula for <BB_305> (N#Cc1coc(C2CCC2)n1) is C8H8N2O.
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Describe the ring structures in building block <BB_305>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
|
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List the primary functional groups present in <BB_305>.
|
The molecule contains the following groups: Nitrile.
|
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Provide a comprehensive chemical profile for the building block <BB_305>.
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**Token:** <BB_305>
**SMILES:** N#Cc1coc(C2CCC2)n1
**Molecular Formula:** C8H8N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Nitrile
|
|
Provide the SMILES representation for the building block token <BB_306>.
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CCOCCc1c(C)nc2n(c1=O)CCCC2
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What is the building block token for the following molecule?
|
CCOCCc1c(C)nc2n(c1=O)CCCC2
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<BB_306>
|
What is the molecular formula for <BB_306>?
|
The molecular formula for <BB_306> (CCOCCc1c(C)nc2n(c1=O)CCCC2) is C13H20N2O2.
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Describe the ring structures in building block <BB_306>.
|
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_306>.
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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_306>.
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**Token:** <BB_306>
**SMILES:** CCOCCc1c(C)nc2n(c1=O)CCCC2
**Molecular Formula:** C13H20N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether
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Provide the SMILES representation for the building block token <BB_307>.
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N#CC(C#N)c1cncnc1
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What is the building block token for the following molecule?
|
N#CC(C#N)c1cncnc1
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<BB_307>
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What is the molecular formula for <BB_307>?
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The molecular formula for <BB_307> (N#CC(C#N)c1cncnc1) is C7H4N4.
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Describe the ring structures in building block <BB_307>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_307>.
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The molecule contains the following groups: Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_307>.
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**Token:** <BB_307>
**SMILES:** N#CC(C#N)c1cncnc1
**Molecular Formula:** C7H4N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile
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Provide the SMILES representation for the building block token <BB_308>.
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Cc1ccc(C2CCCCN2)cc1
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What is the building block token for the following molecule?
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Cc1ccc(C2CCCCN2)cc1
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<BB_308>
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What is the molecular formula for <BB_308>?
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The molecular formula for <BB_308> (Cc1ccc(C2CCCCN2)cc1) is C12H17N.
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Describe the ring structures in building block <BB_308>.
|
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_308>.
|
The molecule contains the following groups: Secondary Amine.
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Provide a comprehensive chemical profile for the building block <BB_308>.
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**Token:** <BB_308>
**SMILES:** Cc1ccc(C2CCCCN2)cc1
**Molecular Formula:** C12H17N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine
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Provide the SMILES representation for the building block token <BB_309>.
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Cl.NC1(c2ccc(Cl)nc2)CC1
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What is the building block token for the following molecule?
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Cl.NC1(c2ccc(Cl)nc2)CC1
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<BB_309>
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What is the molecular formula for <BB_309>?
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The molecular formula for <BB_309> (Cl.NC1(c2ccc(Cl)nc2)CC1) is C8H10Cl2N2.
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Describe the ring structures in building block <BB_309>.
|
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_309>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_309>.
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**Token:** <BB_309>
**SMILES:** Cl.NC1(c2ccc(Cl)nc2)CC1
**Molecular Formula:** C8H10Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_310>.
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N#Cc1ncsc1Br
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What is the building block token for the following molecule?
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N#Cc1ncsc1Br
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<BB_310>
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What is the molecular formula for <BB_310>?
|
The molecular formula for <BB_310> (N#Cc1ncsc1Br) is C4HBrN2S.
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Describe the ring structures in building block <BB_310>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_310>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_310>.
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**Token:** <BB_310>
**SMILES:** N#Cc1ncsc1Br
**Molecular Formula:** C4HBrN2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_311>.
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CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl
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What is the building block token for the following molecule?
|
CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl
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<BB_311>
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What is the molecular formula for <BB_311>?
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The molecular formula for <BB_311> (CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl) is C9H8Cl3NO.
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Describe the ring structures in building block <BB_311>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_311>.
|
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_311>.
|
**Token:** <BB_311>
**SMILES:** CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl
**Molecular Formula:** C9H8Cl3NO
**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_312>.
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Cc1ccc(-c2nc(CCl)no2)cc1
|
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What is the building block token for the following molecule?
|
Cc1ccc(-c2nc(CCl)no2)cc1
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<BB_312>
|
What is the molecular formula for <BB_312>?
|
The molecular formula for <BB_312> (Cc1ccc(-c2nc(CCl)no2)cc1) is C10H9ClN2O.
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Describe the ring structures in building block <BB_312>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_312>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_312>.
|
**Token:** <BB_312>
**SMILES:** Cc1ccc(-c2nc(CCl)no2)cc1
**Molecular Formula:** C10H9ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_313>.
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O=Cc1cc2sccc2s1
|
|
What is the building block token for the following molecule?
|
O=Cc1cc2sccc2s1
|
<BB_313>
|
What is the molecular formula for <BB_313>?
|
The molecular formula for <BB_313> (O=Cc1cc2sccc2s1) is C7H4OS2.
|
|
Describe the ring structures in building block <BB_313>.
|
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_313>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_313>.
|
**Token:** <BB_313>
**SMILES:** O=Cc1cc2sccc2s1
**Molecular Formula:** C7H4OS2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_314>.
|
COC(=O)C(F)(F)CC(=O)O
|
|
What is the building block token for the following molecule?
|
COC(=O)C(F)(F)CC(=O)O
|
<BB_314>
|
What is the molecular formula for <BB_314>?
|
The molecular formula for <BB_314> (COC(=O)C(F)(F)CC(=O)O) is C5H6F2O4.
|
|
Describe the ring structures in building block <BB_314>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_314>.
|
The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_314>.
|
**Token:** <BB_314>
**SMILES:** COC(=O)C(F)(F)CC(=O)O
**Molecular Formula:** C5H6F2O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_315>.
|
O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12
|
|
What is the building block token for the following molecule?
|
O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12
|
<BB_315>
|
What is the molecular formula for <BB_315>?
|
The molecular formula for <BB_315> (O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12) is C8H5N3O4.
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Describe the ring structures in building block <BB_315>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_315>.
|
The molecule contains the following groups: Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_315>.
|
**Token:** <BB_315>
**SMILES:** O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12
**Molecular Formula:** C8H5N3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro
|
|
Provide the SMILES representation for the building block token <BB_316>.
|
O=S([O-])c1cc(F)ccc1Br.[Na+]
|
|
What is the building block token for the following molecule?
|
O=S([O-])c1cc(F)ccc1Br.[Na+]
|
<BB_316>
|
What is the molecular formula for <BB_316>?
|
The molecular formula for <BB_316> (O=S([O-])c1cc(F)ccc1Br.[Na+]) is C6H3BrFNaO2S.
|
|
Describe the ring structures in building block <BB_316>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
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