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List the primary functional groups present in <BB_716>.
|
The molecule contains the following groups: Carboxylic Acid.
|
|
Provide a comprehensive chemical profile for the building block <BB_716>.
|
**Token:** <BB_716>
**SMILES:** O=C(O)c1ccccc1CS(=O)(=O)c1ccccc1
**Molecular Formula:** C14H12O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_717>.
|
[Na+].[S-]c1nnc2ncccn12
|
|
What is the building block token for the following molecule?
|
[Na+].[S-]c1nnc2ncccn12
|
<BB_717>
|
What is the molecular formula for <BB_717>?
|
The molecular formula for <BB_717> ([Na+].[S-]c1nnc2ncccn12) is C5H3N4NaS.
|
|
Describe the ring structures in building block <BB_717>.
|
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_717>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_717>.
|
**Token:** <BB_717>
**SMILES:** [Na+].[S-]c1nnc2ncccn12
**Molecular Formula:** C5H3N4NaS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_718>.
|
CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1
|
|
What is the building block token for the following molecule?
|
CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1
|
<BB_718>
|
What is the molecular formula for <BB_718>?
|
The molecular formula for <BB_718> (CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1) is C13H14ClNO2.
|
|
Describe the ring structures in building block <BB_718>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_718>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_718>.
|
**Token:** <BB_718>
**SMILES:** CC(Cl)C1CC(c2ccc3c(c2)CCO3)=NO1
**Molecular Formula:** C13H14ClNO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_719>.
|
CC(C)(C)OC(=O)N1CCNc2ccccc2C1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCNc2ccccc2C1
|
<BB_719>
|
What is the molecular formula for <BB_719>?
|
The molecular formula for <BB_719> (CC(C)(C)OC(=O)N1CCNc2ccccc2C1) is C14H20N2O2.
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|
Describe the ring structures in building block <BB_719>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_719>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_719>.
|
**Token:** <BB_719>
**SMILES:** CC(C)(C)OC(=O)N1CCNc2ccccc2C1
**Molecular Formula:** C14H20N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether
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|
Provide the SMILES representation for the building block token <BB_720>.
|
O=C(CC(=O)C(F)(F)F)C(F)(F)F
|
|
What is the building block token for the following molecule?
|
O=C(CC(=O)C(F)(F)F)C(F)(F)F
|
<BB_720>
|
What is the molecular formula for <BB_720>?
|
The molecular formula for <BB_720> (O=C(CC(=O)C(F)(F)F)C(F)(F)F) is C5H2F6O2.
|
|
Describe the ring structures in building block <BB_720>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_720>.
|
The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_720>.
|
**Token:** <BB_720>
**SMILES:** O=C(CC(=O)C(F)(F)F)C(F)(F)F
**Molecular Formula:** C5H2F6O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_721>.
|
O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1
|
|
What is the building block token for the following molecule?
|
O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1
|
<BB_721>
|
What is the molecular formula for <BB_721>?
|
The molecular formula for <BB_721> (O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1) is C13H8ClFO2.
|
|
Describe the ring structures in building block <BB_721>.
|
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_721>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_721>.
|
**Token:** <BB_721>
**SMILES:** O=C(O)c1ccc(-c2ccc(Cl)cc2)c(F)c1
**Molecular Formula:** C13H8ClFO2
**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_722>.
|
CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N
|
<BB_722>
|
What is the molecular formula for <BB_722>?
|
The molecular formula for <BB_722> (CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N) is C11H16F2N2O2.
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|
Describe the ring structures in building block <BB_722>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_722>.
|
The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_722>.
|
**Token:** <BB_722>
**SMILES:** CC(C)(C)OC(=O)N1CC(F)(F)CC1CC#N
**Molecular Formula:** C11H16F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_723>.
|
CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1
|
<BB_723>
|
What is the molecular formula for <BB_723>?
|
The molecular formula for <BB_723> (CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1) is C12H17N3O3.
|
|
Describe the ring structures in building block <BB_723>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_723>.
|
The molecule contains the following groups: Amide, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_723>.
|
**Token:** <BB_723>
**SMILES:** CC(C)(C)OC(=O)N1CC(n2nccc2C=O)C1
**Molecular Formula:** C12H17N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amide, Aldehyde, Ether
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|
Provide the SMILES representation for the building block token <BB_724>.
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O=c1ccc(-c2nccs2)c[nH]1
|
|
What is the building block token for the following molecule?
|
O=c1ccc(-c2nccs2)c[nH]1
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<BB_724>
|
What is the molecular formula for <BB_724>?
|
The molecular formula for <BB_724> (O=c1ccc(-c2nccs2)c[nH]1) is C8H6N2OS.
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|
Describe the ring structures in building block <BB_724>.
|
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_724>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_724>.
|
**Token:** <BB_724>
**SMILES:** O=c1ccc(-c2nccs2)c[nH]1
**Molecular Formula:** C8H6N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific
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|
Provide the SMILES representation for the building block token <BB_725>.
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CN1CCNC[C@@H]1C(F)F.Cl.Cl
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|
What is the building block token for the following molecule?
|
CN1CCNC[C@@H]1C(F)F.Cl.Cl
|
<BB_725>
|
What is the molecular formula for <BB_725>?
|
The molecular formula for <BB_725> (CN1CCNC[C@@H]1C(F)F.Cl.Cl) is C6H14Cl2F2N2.
|
|
Describe the ring structures in building block <BB_725>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_725>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_725>.
|
**Token:** <BB_725>
**SMILES:** CN1CCNC[C@@H]1C(F)F.Cl.Cl
**Molecular Formula:** C6H14Cl2F2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_726>.
|
O=C(CCl)c1cc(Br)cs1
|
|
What is the building block token for the following molecule?
|
O=C(CCl)c1cc(Br)cs1
|
<BB_726>
|
What is the molecular formula for <BB_726>?
|
The molecular formula for <BB_726> (O=C(CCl)c1cc(Br)cs1) is C6H4BrClOS.
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|
Describe the ring structures in building block <BB_726>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_726>.
|
The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_726>.
|
**Token:** <BB_726>
**SMILES:** O=C(CCl)c1cc(Br)cs1
**Molecular Formula:** C6H4BrClOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_727>.
|
Cl.N[C@H]1CC[C@@H](C(=O)O)C1
|
|
What is the building block token for the following molecule?
|
Cl.N[C@H]1CC[C@@H](C(=O)O)C1
|
<BB_727>
|
What is the molecular formula for <BB_727>?
|
The molecular formula for <BB_727> (Cl.N[C@H]1CC[C@@H](C(=O)O)C1) is C6H12ClNO2.
|
|
Describe the ring structures in building block <BB_727>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_727>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_727>.
|
**Token:** <BB_727>
**SMILES:** Cl.N[C@H]1CC[C@@H](C(=O)O)C1
**Molecular Formula:** C6H12ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_728>.
|
CNCC(=O)Nc1cc(Cl)ccc1OC
|
|
What is the building block token for the following molecule?
|
CNCC(=O)Nc1cc(Cl)ccc1OC
|
<BB_728>
|
What is the molecular formula for <BB_728>?
|
The molecular formula for <BB_728> (CNCC(=O)Nc1cc(Cl)ccc1OC) is C10H13ClN2O2.
|
|
Describe the ring structures in building block <BB_728>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_728>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_728>.
|
**Token:** <BB_728>
**SMILES:** CNCC(=O)Nc1cc(Cl)ccc1OC
**Molecular Formula:** C10H13ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_729>.
|
CC1(N)CCN(C(=O)OC(C)(C)C)CC1
|
|
What is the building block token for the following molecule?
|
CC1(N)CCN(C(=O)OC(C)(C)C)CC1
|
<BB_729>
|
What is the molecular formula for <BB_729>?
|
The molecular formula for <BB_729> (CC1(N)CCN(C(=O)OC(C)(C)C)CC1) is C11H22N2O2.
|
|
Describe the ring structures in building block <BB_729>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_729>.
|
The molecule contains the following groups: Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_729>.
|
**Token:** <BB_729>
**SMILES:** CC1(N)CCN(C(=O)OC(C)(C)C)CC1
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_730>.
|
Cc1ncsc1CCCN
|
|
What is the building block token for the following molecule?
|
Cc1ncsc1CCCN
|
<BB_730>
|
What is the molecular formula for <BB_730>?
|
The molecular formula for <BB_730> (Cc1ncsc1CCCN) is C7H12N2S.
|
|
Describe the ring structures in building block <BB_730>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_730>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_730>.
|
**Token:** <BB_730>
**SMILES:** Cc1ncsc1CCCN
**Molecular Formula:** C7H12N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_731>.
|
COCCC(=O)C(C)(C)C
|
|
What is the building block token for the following molecule?
|
COCCC(=O)C(C)(C)C
|
<BB_731>
|
What is the molecular formula for <BB_731>?
|
The molecular formula for <BB_731> (COCCC(=O)C(C)(C)C) is C8H16O2.
|
|
Describe the ring structures in building block <BB_731>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_731>.
|
The molecule contains the following groups: Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_731>.
|
**Token:** <BB_731>
**SMILES:** COCCC(=O)C(C)(C)C
**Molecular Formula:** C8H16O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_732>.
|
Clc1cccc2cccc(Br)c12
|
|
What is the building block token for the following molecule?
|
Clc1cccc2cccc(Br)c12
|
<BB_732>
|
What is the molecular formula for <BB_732>?
|
The molecular formula for <BB_732> (Clc1cccc2cccc(Br)c12) is C10H6BrCl.
|
|
Describe the ring structures in building block <BB_732>.
|
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_732>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_732>.
|
**Token:** <BB_732>
**SMILES:** Clc1cccc2cccc(Br)c12
**Molecular Formula:** C10H6BrCl
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_733>.
|
Clc1ccccc1-c1nnc(CNC2CC2)o1
|
|
What is the building block token for the following molecule?
|
Clc1ccccc1-c1nnc(CNC2CC2)o1
|
<BB_733>
|
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