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What is the molecular formula for <BB_9983>?
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The molecular formula for <BB_9983> (CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O) is C12H21NO4.
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Describe the ring structures in building block <BB_9983>.
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The molecule contains 1 ring(s): an aliphatic ring of size 5.
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List the primary functional groups present in <BB_9983>.
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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_9983>.
|
**Token:** <BB_9983>
**SMILES:** CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O
**Molecular Formula:** C12H21NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether
|
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Provide the SMILES representation for the building block token <BB_9984>.
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Oc1ccc2c(c1)CCC2
|
|
What is the building block token for the following molecule?
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Oc1ccc2c(c1)CCC2
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<BB_9984>
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What is the molecular formula for <BB_9984>?
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The molecular formula for <BB_9984> (Oc1ccc2c(c1)CCC2) is C9H10O.
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Describe the ring structures in building block <BB_9984>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
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List the primary functional groups present in <BB_9984>.
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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_9984>.
|
**Token:** <BB_9984>
**SMILES:** Oc1ccc2c(c1)CCC2
**Molecular Formula:** C9H10O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** None specific
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Provide the SMILES representation for the building block token <BB_9985>.
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NC(=O)c1cc(Br)cc2ccccc12
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What is the building block token for the following molecule?
|
NC(=O)c1cc(Br)cc2ccccc12
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<BB_9985>
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What is the molecular formula for <BB_9985>?
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The molecular formula for <BB_9985> (NC(=O)c1cc(Br)cc2ccccc12) is C11H8BrNO.
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Describe the ring structures in building block <BB_9985>.
|
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_9985>.
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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_9985>.
|
**Token:** <BB_9985>
**SMILES:** NC(=O)c1cc(Br)cc2ccccc12
**Molecular Formula:** C11H8BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_9986>.
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Brc1ccc2cc[nH]c2c1
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What is the building block token for the following molecule?
|
Brc1ccc2cc[nH]c2c1
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<BB_9986>
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What is the molecular formula for <BB_9986>?
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The molecular formula for <BB_9986> (Brc1ccc2cc[nH]c2c1) is C8H6BrN.
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Describe the ring structures in building block <BB_9986>.
|
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_9986>.
|
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_9986>.
|
**Token:** <BB_9986>
**SMILES:** Brc1ccc2cc[nH]c2c1
**Molecular Formula:** C8H6BrN
**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_9987>.
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O=C(O)c1ncn2c1C(=O)NCC2
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What is the building block token for the following molecule?
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O=C(O)c1ncn2c1C(=O)NCC2
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<BB_9987>
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What is the molecular formula for <BB_9987>?
|
The molecular formula for <BB_9987> (O=C(O)c1ncn2c1C(=O)NCC2) is C7H7N3O3.
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Describe the ring structures in building block <BB_9987>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_9987>.
|
The molecule contains the following groups: Carboxylic Acid, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9987>.
|
**Token:** <BB_9987>
**SMILES:** O=C(O)c1ncn2c1C(=O)NCC2
**Molecular Formula:** C7H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide
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|
Provide the SMILES representation for the building block token <BB_9988>.
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COC(=O)CCSCc1ccccc1OC
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|
What is the building block token for the following molecule?
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COC(=O)CCSCc1ccccc1OC
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<BB_9988>
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What is the molecular formula for <BB_9988>?
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The molecular formula for <BB_9988> (COC(=O)CCSCc1ccccc1OC) is C12H16O3S.
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Describe the ring structures in building block <BB_9988>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9988>.
|
The molecule contains the following groups: Ester, Ether, Sulfide.
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Provide a comprehensive chemical profile for the building block <BB_9988>.
|
**Token:** <BB_9988>
**SMILES:** COC(=O)CCSCc1ccccc1OC
**Molecular Formula:** C12H16O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Sulfide
|
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Provide the SMILES representation for the building block token <BB_9989>.
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CC1(C)OB(C2COC2)OC1(C)C
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What is the building block token for the following molecule?
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CC1(C)OB(C2COC2)OC1(C)C
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<BB_9989>
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What is the molecular formula for <BB_9989>?
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The molecular formula for <BB_9989> (CC1(C)OB(C2COC2)OC1(C)C) is C9H17BO3.
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Describe the ring structures in building block <BB_9989>.
|
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_9989>.
|
The molecule contains the following groups: Ether.
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Provide a comprehensive chemical profile for the building block <BB_9989>.
|
**Token:** <BB_9989>
**SMILES:** CC1(C)OB(C2COC2)OC1(C)C
**Molecular Formula:** C9H17BO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Ether
|
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Provide the SMILES representation for the building block token <BB_9990>.
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COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1
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What is the building block token for the following molecule?
|
COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1
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<BB_9990>
|
What is the molecular formula for <BB_9990>?
|
The molecular formula for <BB_9990> (COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1) is C9H9N3O4S.
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Describe the ring structures in building block <BB_9990>.
|
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_9990>.
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The molecule contains the following groups: Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_9990>.
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**Token:** <BB_9990>
**SMILES:** COC(=O)c1cc2ncc(S(C)(=O)=O)cn2n1
**Molecular Formula:** C9H9N3O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
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Provide the SMILES representation for the building block token <BB_9991>.
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N#Cc1csc(C(=O)O)c1
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What is the building block token for the following molecule?
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N#Cc1csc(C(=O)O)c1
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<BB_9991>
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What is the molecular formula for <BB_9991>?
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The molecular formula for <BB_9991> (N#Cc1csc(C(=O)O)c1) is C6H3NO2S.
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Describe the ring structures in building block <BB_9991>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_9991>.
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The molecule contains the following groups: Carboxylic Acid, Nitrile.
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|
Provide a comprehensive chemical profile for the building block <BB_9991>.
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**Token:** <BB_9991>
**SMILES:** N#Cc1csc(C(=O)O)c1
**Molecular Formula:** C6H3NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Nitrile
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Provide the SMILES representation for the building block token <BB_9992>.
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Cc1c[nH]c(=O)nc1N
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What is the building block token for the following molecule?
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Cc1c[nH]c(=O)nc1N
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<BB_9992>
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What is the molecular formula for <BB_9992>?
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The molecular formula for <BB_9992> (Cc1c[nH]c(=O)nc1N) is C5H7N3O.
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Describe the ring structures in building block <BB_9992>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_9992>.
|
The molecule contains the following groups: Amine.
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Provide a comprehensive chemical profile for the building block <BB_9992>.
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**Token:** <BB_9992>
**SMILES:** Cc1c[nH]c(=O)nc1N
**Molecular Formula:** C5H7N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_9993>.
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CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F
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|
What is the building block token for the following molecule?
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CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F
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<BB_9993>
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What is the molecular formula for <BB_9993>?
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The molecular formula for <BB_9993> (CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F) is C11H8F4O3.
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Describe the ring structures in building block <BB_9993>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9993>.
|
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_9993>.
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**Token:** <BB_9993>
**SMILES:** CCOC(=O)CC(=O)c1cc(F)c(F)c(F)c1F
**Molecular Formula:** C11H8F4O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9994>.
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O=C(O)c1cc(C2CC2)[nH]n1
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What is the building block token for the following molecule?
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O=C(O)c1cc(C2CC2)[nH]n1
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<BB_9994>
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What is the molecular formula for <BB_9994>?
|
The molecular formula for <BB_9994> (O=C(O)c1cc(C2CC2)[nH]n1) is C7H8N2O2.
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Describe the ring structures in building block <BB_9994>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_9994>.
|
The molecule contains the following groups: Carboxylic Acid.
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|
Provide a comprehensive chemical profile for the building block <BB_9994>.
|
**Token:** <BB_9994>
**SMILES:** O=C(O)c1cc(C2CC2)[nH]n1
**Molecular Formula:** C7H8N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_9995>.
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CNS(=O)(=O)CC1CCCNC1.Cl
|
|
What is the building block token for the following molecule?
|
CNS(=O)(=O)CC1CCCNC1.Cl
|
<BB_9995>
|
What is the molecular formula for <BB_9995>?
|
The molecular formula for <BB_9995> (CNS(=O)(=O)CC1CCCNC1.Cl) is C7H17ClN2O2S.
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|
Describe the ring structures in building block <BB_9995>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9995>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9995>.
|
**Token:** <BB_9995>
**SMILES:** CNS(=O)(=O)CC1CCCNC1.Cl
**Molecular Formula:** C7H17ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide
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Provide the SMILES representation for the building block token <BB_9996>.
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CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl
|
<BB_9996>
|
What is the molecular formula for <BB_9996>?
|
The molecular formula for <BB_9996> (CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl) is C13H25ClN2O3.
|
|
Describe the ring structures in building block <BB_9996>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9996>.
|
The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9996>.
|
**Token:** <BB_9996>
**SMILES:** CC(C)(C)OC(=O)N1C[C@H](CN)O[C@@H]2CCC[C@H]21.Cl
**Molecular Formula:** C13H25ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9997>.
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CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O
|
<BB_9997>
|
What is the molecular formula for <BB_9997>?
|
The molecular formula for <BB_9997> (CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O) is C11H16N2O4S.
|
|
Describe the ring structures in building block <BB_9997>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9997>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9997>.
|
**Token:** <BB_9997>
**SMILES:** CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)O
**Molecular Formula:** C11H16N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether
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|
Provide the SMILES representation for the building block token <BB_9998>.
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CC(C(=O)O)N(C)C(=O)OC(C)(C)C
|
|
What is the building block token for the following molecule?
|
CC(C(=O)O)N(C)C(=O)OC(C)(C)C
|
<BB_9998>
|
What is the molecular formula for <BB_9998>?
|
The molecular formula for <BB_9998> (CC(C(=O)O)N(C)C(=O)OC(C)(C)C) is C9H17NO4.
|
|
Describe the ring structures in building block <BB_9998>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_9998>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9998>.
|
**Token:** <BB_9998>
**SMILES:** CC(C(=O)O)N(C)C(=O)OC(C)(C)C
**Molecular Formula:** C9H17NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_9999>.
|
CCOC(=O)C=C(C)c1cccnc1
|
|
What is the building block token for the following molecule?
|
CCOC(=O)C=C(C)c1cccnc1
|
<BB_9999>
|
What is the molecular formula for <BB_9999>?
|
The molecular formula for <BB_9999> (CCOC(=O)C=C(C)c1cccnc1) is C11H13NO2.
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|
Describe the ring structures in building block <BB_9999>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9999>.
|
The molecule contains the following groups: Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9999>.
|
**Token:** <BB_9999>
**SMILES:** CCOC(=O)C=C(C)c1cccnc1
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
|
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