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List the primary functional groups present in <BB_566>.
|
The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_566>.
|
**Token:** <BB_566>
**SMILES:** C1CO[C@H]2CCCN[C@H]2C1.Cl
**Molecular Formula:** C8H16ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_567>.
|
CSCC(N)c1ccccc1.Cl
|
|
What is the building block token for the following molecule?
|
CSCC(N)c1ccccc1.Cl
|
<BB_567>
|
What is the molecular formula for <BB_567>?
|
The molecular formula for <BB_567> (CSCC(N)c1ccccc1.Cl) is C9H14ClNS.
|
|
Describe the ring structures in building block <BB_567>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_567>.
|
The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_567>.
|
**Token:** <BB_567>
**SMILES:** CSCC(N)c1ccccc1.Cl
**Molecular Formula:** C9H14ClNS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_568>.
|
CCCCCCCCNCCCCCCCC.Cl
|
|
What is the building block token for the following molecule?
|
CCCCCCCCNCCCCCCCC.Cl
|
<BB_568>
|
What is the molecular formula for <BB_568>?
|
The molecular formula for <BB_568> (CCCCCCCCNCCCCCCCC.Cl) is C16H36ClN.
|
|
Describe the ring structures in building block <BB_568>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_568>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_568>.
|
**Token:** <BB_568>
**SMILES:** CCCCCCCCNCCCCCCCC.Cl
**Molecular Formula:** C16H36ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_569>.
|
Cn1nc(NN)c(=O)n(C)c1=O
|
|
What is the building block token for the following molecule?
|
Cn1nc(NN)c(=O)n(C)c1=O
|
<BB_569>
|
What is the molecular formula for <BB_569>?
|
The molecular formula for <BB_569> (Cn1nc(NN)c(=O)n(C)c1=O) is C5H9N5O2.
|
|
Describe the ring structures in building block <BB_569>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_569>.
|
The molecule contains the following groups: Amine, Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_569>.
|
**Token:** <BB_569>
**SMILES:** Cn1nc(NN)c(=O)n(C)c1=O
**Molecular Formula:** C5H9N5O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine
|
|
Provide the SMILES representation for the building block token <BB_570>.
|
O=C=NC1CC2(CCC2)C1
|
|
What is the building block token for the following molecule?
|
O=C=NC1CC2(CCC2)C1
|
<BB_570>
|
What is the molecular formula for <BB_570>?
|
The molecular formula for <BB_570> (O=C=NC1CC2(CCC2)C1) is C8H11NO.
|
|
Describe the ring structures in building block <BB_570>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_570>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_570>.
|
**Token:** <BB_570>
**SMILES:** O=C=NC1CC2(CCC2)C1
**Molecular Formula:** C8H11NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_571>.
|
CCC(O)Cc1ccccc1
|
|
What is the building block token for the following molecule?
|
CCC(O)Cc1ccccc1
|
<BB_571>
|
What is the molecular formula for <BB_571>?
|
The molecular formula for <BB_571> (CCC(O)Cc1ccccc1) is C10H14O.
|
|
Describe the ring structures in building block <BB_571>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_571>.
|
The molecule contains the following groups: Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_571>.
|
**Token:** <BB_571>
**SMILES:** CCC(O)Cc1ccccc1
**Molecular Formula:** C10H14O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol
|
|
Provide the SMILES representation for the building block token <BB_572>.
|
Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1
|
|
What is the building block token for the following molecule?
|
Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1
|
<BB_572>
|
What is the molecular formula for <BB_572>?
|
The molecular formula for <BB_572> (Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1) is C12H17BClNO2.
|
|
Describe the ring structures in building block <BB_572>.
|
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_572>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_572>.
|
**Token:** <BB_572>
**SMILES:** Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1
**Molecular Formula:** C12H17BClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_573>.
|
CCC(=O)c1ccc(OC)cc1
|
|
What is the building block token for the following molecule?
|
CCC(=O)c1ccc(OC)cc1
|
<BB_573>
|
What is the molecular formula for <BB_573>?
|
The molecular formula for <BB_573> (CCC(=O)c1ccc(OC)cc1) is C10H12O2.
|
|
Describe the ring structures in building block <BB_573>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_573>.
|
The molecule contains the following groups: Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_573>.
|
**Token:** <BB_573>
**SMILES:** CCC(=O)c1ccc(OC)cc1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_574>.
|
COc1ccc(B2OC(C)(C)C(C)(C)O2)s1
|
|
What is the building block token for the following molecule?
|
COc1ccc(B2OC(C)(C)C(C)(C)O2)s1
|
<BB_574>
|
What is the molecular formula for <BB_574>?
|
The molecular formula for <BB_574> (COc1ccc(B2OC(C)(C)C(C)(C)O2)s1) is C11H17BO3S.
|
|
Describe the ring structures in building block <BB_574>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_574>.
|
The molecule contains the following groups: Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_574>.
|
**Token:** <BB_574>
**SMILES:** COc1ccc(B2OC(C)(C)C(C)(C)O2)s1
**Molecular Formula:** C11H17BO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ether
|
|
Provide the SMILES representation for the building block token <BB_575>.
|
O=C(O)c1ccc(C(F)(F)Br)nc1
|
|
What is the building block token for the following molecule?
|
O=C(O)c1ccc(C(F)(F)Br)nc1
|
<BB_575>
|
What is the molecular formula for <BB_575>?
|
The molecular formula for <BB_575> (O=C(O)c1ccc(C(F)(F)Br)nc1) is C7H4BrF2NO2.
|
|
Describe the ring structures in building block <BB_575>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_575>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_575>.
|
**Token:** <BB_575>
**SMILES:** O=C(O)c1ccc(C(F)(F)Br)nc1
**Molecular Formula:** C7H4BrF2NO2
**Ring System:** The molecule contains 1 ring(s): 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_576>.
|
O=C1CC(F)(F)CO1
|
|
What is the building block token for the following molecule?
|
O=C1CC(F)(F)CO1
|
<BB_576>
|
What is the molecular formula for <BB_576>?
|
The molecular formula for <BB_576> (O=C1CC(F)(F)CO1) is C4H4F2O2.
|
|
Describe the ring structures in building block <BB_576>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_576>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_576>.
|
**Token:** <BB_576>
**SMILES:** O=C1CC(F)(F)CO1
**Molecular Formula:** C4H4F2O2
**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_577>.
|
O=Cc1cc(Cl)cc(Cl)c1Br
|
|
What is the building block token for the following molecule?
|
O=Cc1cc(Cl)cc(Cl)c1Br
|
<BB_577>
|
What is the molecular formula for <BB_577>?
|
The molecular formula for <BB_577> (O=Cc1cc(Cl)cc(Cl)c1Br) is C7H3BrCl2O.
|
|
Describe the ring structures in building block <BB_577>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_577>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_577>.
|
**Token:** <BB_577>
**SMILES:** O=Cc1cc(Cl)cc(Cl)c1Br
**Molecular Formula:** C7H3BrCl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_578>.
|
Fc1cc(Br)ccc1CCBr
|
|
What is the building block token for the following molecule?
|
Fc1cc(Br)ccc1CCBr
|
<BB_578>
|
What is the molecular formula for <BB_578>?
|
The molecular formula for <BB_578> (Fc1cc(Br)ccc1CCBr) is C8H7Br2F.
|
|
Describe the ring structures in building block <BB_578>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_578>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_578>.
|
**Token:** <BB_578>
**SMILES:** Fc1cc(Br)ccc1CCBr
**Molecular Formula:** C8H7Br2F
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_579>.
|
C=CCNCC(=O)OC(C)(C)C
|
|
What is the building block token for the following molecule?
|
C=CCNCC(=O)OC(C)(C)C
|
<BB_579>
|
What is the molecular formula for <BB_579>?
|
The molecular formula for <BB_579> (C=CCNCC(=O)OC(C)(C)C) is C9H17NO2.
|
|
Describe the ring structures in building block <BB_579>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_579>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_579>.
|
**Token:** <BB_579>
**SMILES:** C=CCNCC(=O)OC(C)(C)C
**Molecular Formula:** C9H17NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_580>.
|
Cc1cccc2c(=O)[nH]ccc12
|
|
What is the building block token for the following molecule?
|
Cc1cccc2c(=O)[nH]ccc12
|
<BB_580>
|
What is the molecular formula for <BB_580>?
|
The molecular formula for <BB_580> (Cc1cccc2c(=O)[nH]ccc12) is C10H9NO.
|
|
Describe the ring structures in building block <BB_580>.
|
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_580>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_580>.
|
**Token:** <BB_580>
**SMILES:** Cc1cccc2c(=O)[nH]ccc12
**Molecular Formula:** C10H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_581>.
|
CC(C)(C)OC(=O)N1CCNC1=O
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCNC1=O
|
<BB_581>
|
What is the molecular formula for <BB_581>?
|
The molecular formula for <BB_581> (CC(C)(C)OC(=O)N1CCNC1=O) is C8H14N2O3.
|
|
Describe the ring structures in building block <BB_581>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_581>.
|
The molecule contains the following groups: Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_581>.
|
**Token:** <BB_581>
**SMILES:** CC(C)(C)OC(=O)N1CCNC1=O
**Molecular Formula:** C8H14N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_582>.
|
CO[B-](OC)(OC)OC.[Na+]
|
|
What is the building block token for the following molecule?
|
CO[B-](OC)(OC)OC.[Na+]
|
<BB_582>
|
What is the molecular formula for <BB_582>?
|
The molecular formula for <BB_582> (CO[B-](OC)(OC)OC.[Na+]) is C4H12BNaO4.
|
|
Describe the ring structures in building block <BB_582>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_582>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_582>.
|
**Token:** <BB_582>
**SMILES:** CO[B-](OC)(OC)OC.[Na+]
**Molecular Formula:** C4H12BNaO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_583>.
|
Cn1ncc2nc3c(c(Cl)c21)CCCC3
|
|
What is the building block token for the following molecule?
|
Cn1ncc2nc3c(c(Cl)c21)CCCC3
|
<BB_583>
|
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