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List the primary functional groups present in <BB_9966>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9966>.
|
**Token:** <BB_9966>
**SMILES:** Cc1nc2c(F)c(F)ccc2cc1O
**Molecular Formula:** C10H7F2NO
**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_9967>.
|
COc1ccc2sccc2c1
|
|
What is the building block token for the following molecule?
|
COc1ccc2sccc2c1
|
<BB_9967>
|
What is the molecular formula for <BB_9967>?
|
The molecular formula for <BB_9967> (COc1ccc2sccc2c1) is C9H8OS.
|
|
Describe the ring structures in building block <BB_9967>.
|
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_9967>.
|
The molecule contains the following groups: Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9967>.
|
**Token:** <BB_9967>
**SMILES:** COc1ccc2sccc2c1
**Molecular Formula:** C9H8OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether
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|
Provide the SMILES representation for the building block token <BB_9968>.
|
CCNC(=O)CC[C@H](N)C(=O)O
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|
What is the building block token for the following molecule?
|
CCNC(=O)CC[C@H](N)C(=O)O
|
<BB_9968>
|
What is the molecular formula for <BB_9968>?
|
The molecular formula for <BB_9968> (CCNC(=O)CC[C@H](N)C(=O)O) is C7H14N2O3.
|
|
Describe the ring structures in building block <BB_9968>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_9968>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9968>.
|
**Token:** <BB_9968>
**SMILES:** CCNC(=O)CC[C@H](N)C(=O)O
**Molecular Formula:** C7H14N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_9969>.
|
CNC(C)(C)CNC(=O)OC(C)(C)C
|
|
What is the building block token for the following molecule?
|
CNC(C)(C)CNC(=O)OC(C)(C)C
|
<BB_9969>
|
What is the molecular formula for <BB_9969>?
|
The molecular formula for <BB_9969> (CNC(C)(C)CNC(=O)OC(C)(C)C) is C10H22N2O2.
|
|
Describe the ring structures in building block <BB_9969>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_9969>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9969>.
|
**Token:** <BB_9969>
**SMILES:** CNC(C)(C)CNC(=O)OC(C)(C)C
**Molecular Formula:** C10H22N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_9970>.
|
O=Cc1cnc(Cl)nc1
|
|
What is the building block token for the following molecule?
|
O=Cc1cnc(Cl)nc1
|
<BB_9970>
|
What is the molecular formula for <BB_9970>?
|
The molecular formula for <BB_9970> (O=Cc1cnc(Cl)nc1) is C5H3ClN2O.
|
|
Describe the ring structures in building block <BB_9970>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9970>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9970>.
|
**Token:** <BB_9970>
**SMILES:** O=Cc1cnc(Cl)nc1
**Molecular Formula:** C5H3ClN2O
**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_9971>.
|
Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12
|
|
What is the building block token for the following molecule?
|
Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12
|
<BB_9971>
|
What is the molecular formula for <BB_9971>?
|
The molecular formula for <BB_9971> (Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12) is C12H13Br2FN2O.
|
|
Describe the ring structures in building block <BB_9971>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9971>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9971>.
|
**Token:** <BB_9971>
**SMILES:** Br.Fc1cc(Br)cn2cc(C3CCOCC3)nc12
**Molecular Formula:** C12H13Br2FN2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9972>.
|
Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O
|
|
What is the building block token for the following molecule?
|
Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O
|
<BB_9972>
|
What is the molecular formula for <BB_9972>?
|
The molecular formula for <BB_9972> (Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O) is C14H18O4.
|
|
Describe the ring structures in building block <BB_9972>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9972>.
|
The molecule contains the following groups: Ester, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9972>.
|
**Token:** <BB_9972>
**SMILES:** Cc1cc(OCC(=O)OC(C)(C)C)ccc1C=O
**Molecular Formula:** C14H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether
|
|
Provide the SMILES representation for the building block token <BB_9973>.
|
CCC(C)(N)c1nccs1
|
|
What is the building block token for the following molecule?
|
CCC(C)(N)c1nccs1
|
<BB_9973>
|
What is the molecular formula for <BB_9973>?
|
The molecular formula for <BB_9973> (CCC(C)(N)c1nccs1) is C7H12N2S.
|
|
Describe the ring structures in building block <BB_9973>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9973>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9973>.
|
**Token:** <BB_9973>
**SMILES:** CCC(C)(N)c1nccs1
**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_9974>.
|
NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]
|
|
What is the building block token for the following molecule?
|
NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]
|
<BB_9974>
|
What is the molecular formula for <BB_9974>?
|
The molecular formula for <BB_9974> (NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]) is C14H10NNaO2.
|
|
Describe the ring structures in building block <BB_9974>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9974>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9974>.
|
**Token:** <BB_9974>
**SMILES:** NC1(C(=O)[O-])c2ccccc2-c2ccccc21.[Na+]
**Molecular Formula:** C14H10NNaO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_9975>.
|
CCC(=O)C1(NC(=O)OC(C)(C)C)CC1
|
|
What is the building block token for the following molecule?
|
CCC(=O)C1(NC(=O)OC(C)(C)C)CC1
|
<BB_9975>
|
What is the molecular formula for <BB_9975>?
|
The molecular formula for <BB_9975> (CCC(=O)C1(NC(=O)OC(C)(C)C)CC1) is C11H19NO3.
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|
Describe the ring structures in building block <BB_9975>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_9975>.
|
The molecule contains the following groups: Amide, Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9975>.
|
**Token:** <BB_9975>
**SMILES:** CCC(=O)C1(NC(=O)OC(C)(C)C)CC1
**Molecular Formula:** C11H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_9976>.
|
Cl.NCCS(=O)(=O)NCC1CCCCO1
|
|
What is the building block token for the following molecule?
|
Cl.NCCS(=O)(=O)NCC1CCCCO1
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<BB_9976>
|
What is the molecular formula for <BB_9976>?
|
The molecular formula for <BB_9976> (Cl.NCCS(=O)(=O)NCC1CCCCO1) is C8H19ClN2O3S.
|
|
Describe the ring structures in building block <BB_9976>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9976>.
|
The molecule contains the following groups: Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9976>.
|
**Token:** <BB_9976>
**SMILES:** Cl.NCCS(=O)(=O)NCC1CCCCO1
**Molecular Formula:** C8H19ClN2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide
|
|
Provide the SMILES representation for the building block token <BB_9977>.
|
COC(=O)c1cc(Br)c(C)cc1OC
|
|
What is the building block token for the following molecule?
|
COC(=O)c1cc(Br)c(C)cc1OC
|
<BB_9977>
|
What is the molecular formula for <BB_9977>?
|
The molecular formula for <BB_9977> (COC(=O)c1cc(Br)c(C)cc1OC) is C10H11BrO3.
|
|
Describe the ring structures in building block <BB_9977>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9977>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9977>.
|
**Token:** <BB_9977>
**SMILES:** COC(=O)c1cc(Br)c(C)cc1OC
**Molecular Formula:** C10H11BrO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9978>.
|
Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1
|
|
What is the building block token for the following molecule?
|
Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1
|
<BB_9978>
|
What is the molecular formula for <BB_9978>?
|
The molecular formula for <BB_9978> (Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1) is C6H13ClN4.
|
|
Describe the ring structures in building block <BB_9978>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9978>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9978>.
|
**Token:** <BB_9978>
**SMILES:** Cl.[N-]=[N+]=N[C@H]1CCC[C@H](N)C1
**Molecular Formula:** C6H13ClN4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9979>.
|
CN(C)Cc1ccc(Br)cc1
|
|
What is the building block token for the following molecule?
|
CN(C)Cc1ccc(Br)cc1
|
<BB_9979>
|
What is the molecular formula for <BB_9979>?
|
The molecular formula for <BB_9979> (CN(C)Cc1ccc(Br)cc1) is C9H12BrN.
|
|
Describe the ring structures in building block <BB_9979>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9979>.
|
The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9979>.
|
**Token:** <BB_9979>
**SMILES:** CN(C)Cc1ccc(Br)cc1
**Molecular Formula:** C9H12BrN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9980>.
|
Cl.NC(c1ccc(F)cc1)C1CCCC1
|
|
What is the building block token for the following molecule?
|
Cl.NC(c1ccc(F)cc1)C1CCCC1
|
<BB_9980>
|
What is the molecular formula for <BB_9980>?
|
The molecular formula for <BB_9980> (Cl.NC(c1ccc(F)cc1)C1CCCC1) is C12H17ClFN.
|
|
Describe the ring structures in building block <BB_9980>.
|
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_9980>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9980>.
|
**Token:** <BB_9980>
**SMILES:** Cl.NC(c1ccc(F)cc1)C1CCCC1
**Molecular Formula:** C12H17ClFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9981>.
|
COC(=O)C12CCCCN1CCC2
|
|
What is the building block token for the following molecule?
|
COC(=O)C12CCCCN1CCC2
|
<BB_9981>
|
What is the molecular formula for <BB_9981>?
|
The molecular formula for <BB_9981> (COC(=O)C12CCCCN1CCC2) is C10H17NO2.
|
|
Describe the ring structures in building block <BB_9981>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9981>.
|
The molecule contains the following groups: Tertiary Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9981>.
|
**Token:** <BB_9981>
**SMILES:** COC(=O)C12CCCCN1CCC2
**Molecular Formula:** C10H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_9982>.
|
Cl.NCC1CC2(CCCC2)C1
|
|
What is the building block token for the following molecule?
|
Cl.NCC1CC2(CCCC2)C1
|
<BB_9982>
|
What is the molecular formula for <BB_9982>?
|
The molecular formula for <BB_9982> (Cl.NCC1CC2(CCCC2)C1) is C9H18ClN.
|
|
Describe the ring structures in building block <BB_9982>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_9982>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9982>.
|
**Token:** <BB_9982>
**SMILES:** Cl.NCC1CC2(CCCC2)C1
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9983>.
|
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)O
|
<BB_9983>
|
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