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List the primary functional groups present in <BB_266>.
|
The molecule contains the following groups: Amide, Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_266>.
|
**Token:** <BB_266>
**SMILES:** CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C
**Molecular Formula:** C12H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_267>.
|
NC(CC1CCCO1)C(=O)O
|
|
What is the building block token for the following molecule?
|
NC(CC1CCCO1)C(=O)O
|
<BB_267>
|
What is the molecular formula for <BB_267>?
|
The molecular formula for <BB_267> (NC(CC1CCCO1)C(=O)O) is C7H13NO3.
|
|
Describe the ring structures in building block <BB_267>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_267>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_267>.
|
**Token:** <BB_267>
**SMILES:** NC(CC1CCCO1)C(=O)O
**Molecular Formula:** C7H13NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_268>.
|
CC1(CC=O)CN(C(=O)OC(C)(C)C)C1
|
|
What is the building block token for the following molecule?
|
CC1(CC=O)CN(C(=O)OC(C)(C)C)C1
|
<BB_268>
|
What is the molecular formula for <BB_268>?
|
The molecular formula for <BB_268> (CC1(CC=O)CN(C(=O)OC(C)(C)C)C1) is C11H19NO3.
|
|
Describe the ring structures in building block <BB_268>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_268>.
|
The molecule contains the following groups: Amide, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_268>.
|
**Token:** <BB_268>
**SMILES:** CC1(CC=O)CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C11H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Aldehyde, Ether
|
|
Provide the SMILES representation for the building block token <BB_269>.
|
CCOc1ncc[nH]c1=O
|
|
What is the building block token for the following molecule?
|
CCOc1ncc[nH]c1=O
|
<BB_269>
|
What is the molecular formula for <BB_269>?
|
The molecular formula for <BB_269> (CCOc1ncc[nH]c1=O) is C6H8N2O2.
|
|
Describe the ring structures in building block <BB_269>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_269>.
|
The molecule contains the following groups: Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_269>.
|
**Token:** <BB_269>
**SMILES:** CCOc1ncc[nH]c1=O
**Molecular Formula:** C6H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether
|
|
Provide the SMILES representation for the building block token <BB_270>.
|
CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C
|
|
What is the building block token for the following molecule?
|
CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C
|
<BB_270>
|
What is the molecular formula for <BB_270>?
|
The molecular formula for <BB_270> (CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C) is C11H15N3O3.
|
|
Describe the ring structures in building block <BB_270>.
|
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_270>.
|
The molecule contains the following groups: Carboxylic Acid, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_270>.
|
**Token:** <BB_270>
**SMILES:** CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C
**Molecular Formula:** C11H15N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide
|
|
Provide the SMILES representation for the building block token <BB_271>.
|
COC(OC)C(=O)C(C)C
|
|
What is the building block token for the following molecule?
|
COC(OC)C(=O)C(C)C
|
<BB_271>
|
What is the molecular formula for <BB_271>?
|
The molecular formula for <BB_271> (COC(OC)C(=O)C(C)C) is C7H14O3.
|
|
Describe the ring structures in building block <BB_271>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_271>.
|
The molecule contains the following groups: Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_271>.
|
**Token:** <BB_271>
**SMILES:** COC(OC)C(=O)C(C)C
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_272>.
|
O=C1NCCC1Cl
|
|
What is the building block token for the following molecule?
|
O=C1NCCC1Cl
|
<BB_272>
|
What is the molecular formula for <BB_272>?
|
The molecular formula for <BB_272> (O=C1NCCC1Cl) is C4H6ClNO.
|
|
Describe the ring structures in building block <BB_272>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_272>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_272>.
|
**Token:** <BB_272>
**SMILES:** O=C1NCCC1Cl
**Molecular Formula:** C4H6ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_273>.
|
CC(C)c1nsc(=O)o1
|
|
What is the building block token for the following molecule?
|
CC(C)c1nsc(=O)o1
|
<BB_273>
|
What is the molecular formula for <BB_273>?
|
The molecular formula for <BB_273> (CC(C)c1nsc(=O)o1) is C5H7NO2S.
|
|
Describe the ring structures in building block <BB_273>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_273>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_273>.
|
**Token:** <BB_273>
**SMILES:** CC(C)c1nsc(=O)o1
**Molecular Formula:** C5H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_274>.
|
CCn1nc(C)c(S(=O)(=O)Cl)c1C
|
|
What is the building block token for the following molecule?
|
CCn1nc(C)c(S(=O)(=O)Cl)c1C
|
<BB_274>
|
What is the molecular formula for <BB_274>?
|
The molecular formula for <BB_274> (CCn1nc(C)c(S(=O)(=O)Cl)c1C) is C7H11ClN2O2S.
|
|
Describe the ring structures in building block <BB_274>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_274>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_274>.
|
**Token:** <BB_274>
**SMILES:** CCn1nc(C)c(S(=O)(=O)Cl)c1C
**Molecular Formula:** C7H11ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_275>.
|
CC(C)(C)C(=O)Nc1ncccc1Cl
|
|
What is the building block token for the following molecule?
|
CC(C)(C)C(=O)Nc1ncccc1Cl
|
<BB_275>
|
What is the molecular formula for <BB_275>?
|
The molecular formula for <BB_275> (CC(C)(C)C(=O)Nc1ncccc1Cl) is C10H13ClN2O.
|
|
Describe the ring structures in building block <BB_275>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_275>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_275>.
|
**Token:** <BB_275>
**SMILES:** CC(C)(C)C(=O)Nc1ncccc1Cl
**Molecular Formula:** C10H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_276>.
|
COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
|
|
What is the building block token for the following molecule?
|
COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
|
<BB_276>
|
What is the molecular formula for <BB_276>?
|
The molecular formula for <BB_276> (COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1) is C13H23NO5.
|
|
Describe the ring structures in building block <BB_276>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_276>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_276>.
|
**Token:** <BB_276>
**SMILES:** COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C13H23NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_277>.
|
OCCOC1CC1
|
|
What is the building block token for the following molecule?
|
OCCOC1CC1
|
<BB_277>
|
What is the molecular formula for <BB_277>?
|
The molecular formula for <BB_277> (OCCOC1CC1) is C5H10O2.
|
|
Describe the ring structures in building block <BB_277>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_277>.
|
The molecule contains the following groups: Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_277>.
|
**Token:** <BB_277>
**SMILES:** OCCOC1CC1
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_278>.
|
O=CC(C1CC1)C1CC1
|
|
What is the building block token for the following molecule?
|
O=CC(C1CC1)C1CC1
|
<BB_278>
|
What is the molecular formula for <BB_278>?
|
The molecular formula for <BB_278> (O=CC(C1CC1)C1CC1) is C8H12O.
|
|
Describe the ring structures in building block <BB_278>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_278>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_278>.
|
**Token:** <BB_278>
**SMILES:** O=CC(C1CC1)C1CC1
**Molecular Formula:** C8H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_279>.
|
CC(N)CI.I
|
|
What is the building block token for the following molecule?
|
CC(N)CI.I
|
<BB_279>
|
What is the molecular formula for <BB_279>?
|
The molecular formula for <BB_279> (CC(N)CI.I) is C3H9I2N.
|
|
Describe the ring structures in building block <BB_279>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_279>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_279>.
|
**Token:** <BB_279>
**SMILES:** CC(N)CI.I
**Molecular Formula:** C3H9I2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_280>.
|
O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F
|
|
What is the building block token for the following molecule?
|
O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F
|
<BB_280>
|
What is the molecular formula for <BB_280>?
|
The molecular formula for <BB_280> (O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F) is C10H6F3N3O2.
|
|
Describe the ring structures in building block <BB_280>.
|
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_280>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_280>.
|
**Token:** <BB_280>
**SMILES:** O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F
**Molecular Formula:** C10H6F3N3O2
**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)
|
|
Provide the SMILES representation for the building block token <BB_281>.
|
OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO
|
|
What is the building block token for the following molecule?
|
OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO
|
<BB_281>
|
What is the molecular formula for <BB_281>?
|
The molecular formula for <BB_281> (OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO) is C13H19NO2.
|
|
Describe the ring structures in building block <BB_281>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_281>.
|
The molecule contains the following groups: Tertiary Amine, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_281>.
|
**Token:** <BB_281>
**SMILES:** OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO
**Molecular Formula:** C13H19NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_282>.
|
O=Cc1cnn(CC(F)F)c1
|
|
What is the building block token for the following molecule?
|
O=Cc1cnn(CC(F)F)c1
|
<BB_282>
|
What is the molecular formula for <BB_282>?
|
The molecular formula for <BB_282> (O=Cc1cnn(CC(F)F)c1) is C6H6F2N2O.
|
|
Describe the ring structures in building block <BB_282>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_282>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_282>.
|
**Token:** <BB_282>
**SMILES:** O=Cc1cnn(CC(F)F)c1
**Molecular Formula:** C6H6F2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_283>.
|
CC(C)(C)OC(=O)NCCCCCCCCCBr
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)NCCCCCCCCCBr
|
<BB_283>
|
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