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What is the molecular formula for <BB_9933>?
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The molecular formula for <BB_9933> (COC(=O)/C=C/c1ccc(Cl)s1) is C8H7ClO2S.
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Describe the ring structures in building block <BB_9933>.
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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_9933>.
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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_9933>.
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**Token:** <BB_9933>
**SMILES:** COC(=O)/C=C/c1ccc(Cl)s1
**Molecular Formula:** C8H7ClO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9934>.
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CC(=O)C1CO1
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What is the building block token for the following molecule?
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CC(=O)C1CO1
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<BB_9934>
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What is the molecular formula for <BB_9934>?
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The molecular formula for <BB_9934> (CC(=O)C1CO1) is C4H6O2.
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Describe the ring structures in building block <BB_9934>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
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List the primary functional groups present in <BB_9934>.
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The molecule contains the following groups: Ketone, Ether.
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Provide a comprehensive chemical profile for the building block <BB_9934>.
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**Token:** <BB_9934>
**SMILES:** CC(=O)C1CO1
**Molecular Formula:** C4H6O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Ether
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Provide the SMILES representation for the building block token <BB_9935>.
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CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F
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What is the building block token for the following molecule?
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CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F
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<BB_9935>
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What is the molecular formula for <BB_9935>?
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The molecular formula for <BB_9935> (CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F) is C7H6F6O3.
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Describe the ring structures in building block <BB_9935>.
|
The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_9935>.
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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_9935>.
|
**Token:** <BB_9935>
**SMILES:** CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F
**Molecular Formula:** C7H6F6O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9936>.
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C[C@@H](O)[C@@H](N)CO
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What is the building block token for the following molecule?
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C[C@@H](O)[C@@H](N)CO
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<BB_9936>
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What is the molecular formula for <BB_9936>?
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The molecular formula for <BB_9936> (C[C@@H](O)[C@@H](N)CO) is C4H11NO2.
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Describe the ring structures in building block <BB_9936>.
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The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_9936>.
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The molecule contains the following groups: Amine, Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_9936>.
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**Token:** <BB_9936>
**SMILES:** C[C@@H](O)[C@@H](N)CO
**Molecular Formula:** C4H11NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol
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Provide the SMILES representation for the building block token <BB_9937>.
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Cl.N#Cc1ccccc1Cc1cnc(N)s1
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What is the building block token for the following molecule?
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Cl.N#Cc1ccccc1Cc1cnc(N)s1
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<BB_9937>
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What is the molecular formula for <BB_9937>?
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The molecular formula for <BB_9937> (Cl.N#Cc1ccccc1Cc1cnc(N)s1) is C11H10ClN3S.
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Describe the ring structures in building block <BB_9937>.
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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_9937>.
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The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_9937>.
|
**Token:** <BB_9937>
**SMILES:** Cl.N#Cc1ccccc1Cc1cnc(N)s1
**Molecular Formula:** C11H10ClN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_9938>.
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CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O
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What is the building block token for the following molecule?
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CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O
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<BB_9938>
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What is the molecular formula for <BB_9938>?
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The molecular formula for <BB_9938> (CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O) is C9H8N2O4S.
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Describe the ring structures in building block <BB_9938>.
|
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_9938>.
|
The molecule contains the following groups: Amine, Amide, Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_9938>.
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**Token:** <BB_9938>
**SMILES:** CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O
**Molecular Formula:** C9H8N2O4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Sulfonamide
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Provide the SMILES representation for the building block token <BB_9939>.
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FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1
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What is the building block token for the following molecule?
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FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1
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<BB_9939>
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What is the molecular formula for <BB_9939>?
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The molecular formula for <BB_9939> (FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1) is C8H4BrF3N4.
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Describe the ring structures in building block <BB_9939>.
|
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_9939>.
|
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_9939>.
|
**Token:** <BB_9939>
**SMILES:** FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1
**Molecular Formula:** C8H4BrF3N4
**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_9940>.
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CCOC(CN)(OCC)c1ccccn1
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What is the building block token for the following molecule?
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CCOC(CN)(OCC)c1ccccn1
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<BB_9940>
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What is the molecular formula for <BB_9940>?
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The molecular formula for <BB_9940> (CCOC(CN)(OCC)c1ccccn1) is C11H18N2O2.
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Describe the ring structures in building block <BB_9940>.
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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_9940>.
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The molecule contains the following groups: Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_9940>.
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**Token:** <BB_9940>
**SMILES:** CCOC(CN)(OCC)c1ccccn1
**Molecular Formula:** C11H18N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
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Provide the SMILES representation for the building block token <BB_9941>.
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CC(F)(F)c1cccnc1N
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What is the building block token for the following molecule?
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CC(F)(F)c1cccnc1N
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<BB_9941>
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What is the molecular formula for <BB_9941>?
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The molecular formula for <BB_9941> (CC(F)(F)c1cccnc1N) is C7H8F2N2.
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Describe the ring structures in building block <BB_9941>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9941>.
|
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_9941>.
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**Token:** <BB_9941>
**SMILES:** CC(F)(F)c1cccnc1N
**Molecular Formula:** C7H8F2N2
**Ring System:** The molecule contains 1 ring(s): 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_9942>.
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CNCc1ncnn1C.Cl
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What is the building block token for the following molecule?
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CNCc1ncnn1C.Cl
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<BB_9942>
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What is the molecular formula for <BB_9942>?
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The molecular formula for <BB_9942> (CNCc1ncnn1C.Cl) is C5H11ClN4.
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Describe the ring structures in building block <BB_9942>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_9942>.
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The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9942>.
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**Token:** <BB_9942>
**SMILES:** CNCc1ncnn1C.Cl
**Molecular Formula:** C5H11ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_9943>.
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Cc1cc(C)cc(Oc2nn(C)cc2N)c1
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What is the building block token for the following molecule?
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Cc1cc(C)cc(Oc2nn(C)cc2N)c1
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<BB_9943>
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What is the molecular formula for <BB_9943>?
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The molecular formula for <BB_9943> (Cc1cc(C)cc(Oc2nn(C)cc2N)c1) is C12H15N3O.
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Describe the ring structures in building block <BB_9943>.
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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_9943>.
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The molecule contains the following groups: Amine, Ether.
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|
Provide a comprehensive chemical profile for the building block <BB_9943>.
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**Token:** <BB_9943>
**SMILES:** Cc1cc(C)cc(Oc2nn(C)cc2N)c1
**Molecular Formula:** C12H15N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether
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Provide the SMILES representation for the building block token <BB_9944>.
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NNc1cccc(F)c1[N+](=O)[O-]
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What is the building block token for the following molecule?
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NNc1cccc(F)c1[N+](=O)[O-]
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<BB_9944>
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What is the molecular formula for <BB_9944>?
|
The molecular formula for <BB_9944> (NNc1cccc(F)c1[N+](=O)[O-]) is C6H6FN3O2.
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|
Describe the ring structures in building block <BB_9944>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9944>.
|
The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
|
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Provide a comprehensive chemical profile for the building block <BB_9944>.
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**Token:** <BB_9944>
**SMILES:** NNc1cccc(F)c1[N+](=O)[O-]
**Molecular Formula:** C6H6FN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
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Provide the SMILES representation for the building block token <BB_9945>.
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CN(C)C(=O)COc1ccc(N)cc1
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|
What is the building block token for the following molecule?
|
CN(C)C(=O)COc1ccc(N)cc1
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<BB_9945>
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What is the molecular formula for <BB_9945>?
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The molecular formula for <BB_9945> (CN(C)C(=O)COc1ccc(N)cc1) is C10H14N2O2.
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|
Describe the ring structures in building block <BB_9945>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9945>.
|
The molecule contains the following groups: Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9945>.
|
**Token:** <BB_9945>
**SMILES:** CN(C)C(=O)COc1ccc(N)cc1
**Molecular Formula:** C10H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_9946>.
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CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl
|
|
What is the building block token for the following molecule?
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CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl
|
<BB_9946>
|
What is the molecular formula for <BB_9946>?
|
The molecular formula for <BB_9946> (CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl) is C11H13ClN2O2.
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|
Describe the ring structures in building block <BB_9946>.
|
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_9946>.
|
The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9946>.
|
**Token:** <BB_9946>
**SMILES:** CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl
**Molecular Formula:** C11H13ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9947>.
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[N-]=[N+]=Nc1ccc2ncccc2c1
|
|
What is the building block token for the following molecule?
|
[N-]=[N+]=Nc1ccc2ncccc2c1
|
<BB_9947>
|
What is the molecular formula for <BB_9947>?
|
The molecular formula for <BB_9947> ([N-]=[N+]=Nc1ccc2ncccc2c1) is C9H6N4.
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|
Describe the ring structures in building block <BB_9947>.
|
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_9947>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_9947>.
|
**Token:** <BB_9947>
**SMILES:** [N-]=[N+]=Nc1ccc2ncccc2c1
**Molecular Formula:** C9H6N4
**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_9948>.
|
CP(C)(=O)c1ccccc1F
|
|
What is the building block token for the following molecule?
|
CP(C)(=O)c1ccccc1F
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<BB_9948>
|
What is the molecular formula for <BB_9948>?
|
The molecular formula for <BB_9948> (CP(C)(=O)c1ccccc1F) is C8H10FOP.
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|
Describe the ring structures in building block <BB_9948>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9948>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9948>.
|
**Token:** <BB_9948>
**SMILES:** CP(C)(=O)c1ccccc1F
**Molecular Formula:** C8H10FOP
**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_9949>.
|
COc1ccc(Cl)cc1Cl
|
|
What is the building block token for the following molecule?
|
COc1ccc(Cl)cc1Cl
|
<BB_9949>
|
What is the molecular formula for <BB_9949>?
|
The molecular formula for <BB_9949> (COc1ccc(Cl)cc1Cl) is C7H6Cl2O.
|
|
Describe the ring structures in building block <BB_9949>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9949>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9949>.
|
**Token:** <BB_9949>
**SMILES:** COc1ccc(Cl)cc1Cl
**Molecular Formula:** C7H6Cl2O
**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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