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Provide the SMILES representation for the building block token <BB_250>.
|
Cc1ccc(CCC(C)N)cc1
|
|
What is the building block token for the following molecule?
|
Cc1ccc(CCC(C)N)cc1
|
<BB_250>
|
What is the molecular formula for <BB_250>?
|
The molecular formula for <BB_250> (Cc1ccc(CCC(C)N)cc1) is C11H17N.
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Describe the ring structures in building block <BB_250>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_250>.
|
The molecule contains the following groups: Amine.
|
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Provide a comprehensive chemical profile for the building block <BB_250>.
|
**Token:** <BB_250>
**SMILES:** Cc1ccc(CCC(C)N)cc1
**Molecular Formula:** C11H17N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_251>.
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O=[N+]([O-])CC(O)C(F)(F)F
|
|
What is the building block token for the following molecule?
|
O=[N+]([O-])CC(O)C(F)(F)F
|
<BB_251>
|
What is the molecular formula for <BB_251>?
|
The molecular formula for <BB_251> (O=[N+]([O-])CC(O)C(F)(F)F) is C3H4F3NO3.
|
|
Describe the ring structures in building block <BB_251>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_251>.
|
The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro.
|
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Provide a comprehensive chemical profile for the building block <BB_251>.
|
**Token:** <BB_251>
**SMILES:** O=[N+]([O-])CC(O)C(F)(F)F
**Molecular Formula:** C3H4F3NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro
|
|
Provide the SMILES representation for the building block token <BB_252>.
|
Cl.O=[N+]([O-])c1ccccc1OC1CCNC1
|
|
What is the building block token for the following molecule?
|
Cl.O=[N+]([O-])c1ccccc1OC1CCNC1
|
<BB_252>
|
What is the molecular formula for <BB_252>?
|
The molecular formula for <BB_252> (Cl.O=[N+]([O-])c1ccccc1OC1CCNC1) is C10H13ClN2O3.
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Describe the ring structures in building block <BB_252>.
|
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_252>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro.
|
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Provide a comprehensive chemical profile for the building block <BB_252>.
|
**Token:** <BB_252>
**SMILES:** Cl.O=[N+]([O-])c1ccccc1OC1CCNC1
**Molecular Formula:** C10H13ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro
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Provide the SMILES representation for the building block token <BB_253>.
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CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C
|
|
What is the building block token for the following molecule?
|
CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C
|
<BB_253>
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What is the molecular formula for <BB_253>?
|
The molecular formula for <BB_253> (CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C) is C12H21BO4S.
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Describe the ring structures in building block <BB_253>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_253>.
|
The molecule contains the following groups: None specific.
|
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Provide a comprehensive chemical profile for the building block <BB_253>.
|
**Token:** <BB_253>
**SMILES:** CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C
**Molecular Formula:** C12H21BO4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** None specific
|
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Provide the SMILES representation for the building block token <BB_254>.
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N#CCCNC(=S)NN
|
|
What is the building block token for the following molecule?
|
N#CCCNC(=S)NN
|
<BB_254>
|
What is the molecular formula for <BB_254>?
|
The molecular formula for <BB_254> (N#CCCNC(=S)NN) is C4H8N4S.
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Describe the ring structures in building block <BB_254>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_254>.
|
The molecule contains the following groups: Amine, Secondary Amine, Nitrile.
|
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Provide a comprehensive chemical profile for the building block <BB_254>.
|
**Token:** <BB_254>
**SMILES:** N#CCCNC(=S)NN
**Molecular Formula:** C4H8N4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_255>.
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Cc1cccc(F)c1OCCN.Cl
|
|
What is the building block token for the following molecule?
|
Cc1cccc(F)c1OCCN.Cl
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<BB_255>
|
What is the molecular formula for <BB_255>?
|
The molecular formula for <BB_255> (Cc1cccc(F)c1OCCN.Cl) is C9H13ClFNO.
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Describe the ring structures in building block <BB_255>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_255>.
|
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_255>.
|
**Token:** <BB_255>
**SMILES:** Cc1cccc(F)c1OCCN.Cl
**Molecular Formula:** C9H13ClFNO
**Ring System:** The molecule contains 1 ring(s): 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_256>.
|
NCc1ccc2cnccc2c1
|
|
What is the building block token for the following molecule?
|
NCc1ccc2cnccc2c1
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<BB_256>
|
What is the molecular formula for <BB_256>?
|
The molecular formula for <BB_256> (NCc1ccc2cnccc2c1) is C10H10N2.
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|
Describe the ring structures in building block <BB_256>.
|
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_256>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_256>.
|
**Token:** <BB_256>
**SMILES:** NCc1ccc2cnccc2c1
**Molecular Formula:** C10H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine
|
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Provide the SMILES representation for the building block token <BB_257>.
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Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
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What is the building block token for the following molecule?
|
Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
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<BB_257>
|
What is the molecular formula for <BB_257>?
|
The molecular formula for <BB_257> (Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21) is C9H16ClNO2.
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Describe the ring structures in building block <BB_257>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_257>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_257>.
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**Token:** <BB_257>
**SMILES:** Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**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_258>.
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CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21
|
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21
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<BB_258>
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What is the molecular formula for <BB_258>?
|
The molecular formula for <BB_258> (CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21) is C12H22N2O2.
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Describe the ring structures in building block <BB_258>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_258>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_258>.
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**Token:** <BB_258>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21
**Molecular Formula:** C12H22N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_259>.
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C#Cc1c(C)cccc1C
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|
What is the building block token for the following molecule?
|
C#Cc1c(C)cccc1C
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<BB_259>
|
What is the molecular formula for <BB_259>?
|
The molecular formula for <BB_259> (C#Cc1c(C)cccc1C) is C10H10.
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|
Describe the ring structures in building block <BB_259>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_259>.
|
The molecule contains the following groups: None specific.
|
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Provide a comprehensive chemical profile for the building block <BB_259>.
|
**Token:** <BB_259>
**SMILES:** C#Cc1c(C)cccc1C
**Molecular Formula:** C10H10
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific
|
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Provide the SMILES representation for the building block token <BB_260>.
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Cc1ccc(Br)c(F)c1CN.Cl
|
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What is the building block token for the following molecule?
|
Cc1ccc(Br)c(F)c1CN.Cl
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<BB_260>
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What is the molecular formula for <BB_260>?
|
The molecular formula for <BB_260> (Cc1ccc(Br)c(F)c1CN.Cl) is C8H10BrClFN.
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Describe the ring structures in building block <BB_260>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_260>.
|
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_260>.
|
**Token:** <BB_260>
**SMILES:** Cc1ccc(Br)c(F)c1CN.Cl
**Molecular Formula:** C8H10BrClFN
**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_261>.
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CCC1CC(Br)C(=O)O1
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|
What is the building block token for the following molecule?
|
CCC1CC(Br)C(=O)O1
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<BB_261>
|
What is the molecular formula for <BB_261>?
|
The molecular formula for <BB_261> (CCC1CC(Br)C(=O)O1) is C6H9BrO2.
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Describe the ring structures in building block <BB_261>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_261>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_261>.
|
**Token:** <BB_261>
**SMILES:** CCC1CC(Br)C(=O)O1
**Molecular Formula:** C6H9BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_262>.
|
Cc1ccc(CN)cc1[N+](=O)[O-]
|
|
What is the building block token for the following molecule?
|
Cc1ccc(CN)cc1[N+](=O)[O-]
|
<BB_262>
|
What is the molecular formula for <BB_262>?
|
The molecular formula for <BB_262> (Cc1ccc(CN)cc1[N+](=O)[O-]) is C8H10N2O2.
|
|
Describe the ring structures in building block <BB_262>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_262>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_262>.
|
**Token:** <BB_262>
**SMILES:** Cc1ccc(CN)cc1[N+](=O)[O-]
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro
|
|
Provide the SMILES representation for the building block token <BB_263>.
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O=C(O)c1cccc(-c2ccc(F)cc2)n1
|
|
What is the building block token for the following molecule?
|
O=C(O)c1cccc(-c2ccc(F)cc2)n1
|
<BB_263>
|
What is the molecular formula for <BB_263>?
|
The molecular formula for <BB_263> (O=C(O)c1cccc(-c2ccc(F)cc2)n1) is C12H8FNO2.
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|
Describe the ring structures in building block <BB_263>.
|
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_263>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_263>.
|
**Token:** <BB_263>
**SMILES:** O=C(O)c1cccc(-c2ccc(F)cc2)n1
**Molecular Formula:** C12H8FNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_264>.
|
CC1CC(O)c2nccn21
|
|
What is the building block token for the following molecule?
|
CC1CC(O)c2nccn21
|
<BB_264>
|
What is the molecular formula for <BB_264>?
|
The molecular formula for <BB_264> (CC1CC(O)c2nccn21) is C7H10N2O.
|
|
Describe the ring structures in building block <BB_264>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_264>.
|
The molecule contains the following groups: Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_264>.
|
**Token:** <BB_264>
**SMILES:** CC1CC(O)c2nccn21
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Alcohol
|
|
Provide the SMILES representation for the building block token <BB_265>.
|
Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1
|
|
What is the building block token for the following molecule?
|
Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1
|
<BB_265>
|
What is the molecular formula for <BB_265>?
|
The molecular formula for <BB_265> (Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1) is C11H16Cl2N2OS.
|
|
Describe the ring structures in building block <BB_265>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_265>.
|
The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_265>.
|
**Token:** <BB_265>
**SMILES:** Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1
**Molecular Formula:** C11H16Cl2N2OS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_266>.
|
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C
|
<BB_266>
|
What is the molecular formula for <BB_266>?
|
The molecular formula for <BB_266> (CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C) is C12H23NO3.
|
|
Describe the ring structures in building block <BB_266>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
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