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List the primary functional groups present in <BB_9866>.
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The molecule contains the following groups: None specific.
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Provide a comprehensive chemical profile for the building block <BB_9866>.
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**Token:** <BB_9866>
**SMILES:** CCCC(CCC)c1ccc(O)cc1
**Molecular Formula:** C13H20O
**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_9867>.
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N#Cc1cc(F)ccc1N1CCOCC1
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What is the building block token for the following molecule?
|
N#Cc1cc(F)ccc1N1CCOCC1
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<BB_9867>
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What is the molecular formula for <BB_9867>?
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The molecular formula for <BB_9867> (N#Cc1cc(F)ccc1N1CCOCC1) is C11H11FN2O.
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Describe the ring structures in building block <BB_9867>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_9867>.
|
The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_9867>.
|
**Token:** <BB_9867>
**SMILES:** N#Cc1cc(F)ccc1N1CCOCC1
**Molecular Formula:** C11H11FN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_9868>.
|
CC1CNC(=Nc2cnc3ccccc3c2)S1
|
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What is the building block token for the following molecule?
|
CC1CNC(=Nc2cnc3ccccc3c2)S1
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<BB_9868>
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What is the molecular formula for <BB_9868>?
|
The molecular formula for <BB_9868> (CC1CNC(=Nc2cnc3ccccc3c2)S1) is C13H13N3S.
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Describe the ring structures in building block <BB_9868>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
|
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List the primary functional groups present in <BB_9868>.
|
The molecule contains the following groups: Secondary Amine, Sulfide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9868>.
|
**Token:** <BB_9868>
**SMILES:** CC1CNC(=Nc2cnc3ccccc3c2)S1
**Molecular Formula:** C13H13N3S
**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:** Secondary Amine, Sulfide
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|
Provide the SMILES representation for the building block token <BB_9869>.
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COc1cnc(CCl)cn1
|
|
What is the building block token for the following molecule?
|
COc1cnc(CCl)cn1
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<BB_9869>
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What is the molecular formula for <BB_9869>?
|
The molecular formula for <BB_9869> (COc1cnc(CCl)cn1) is C6H7ClN2O.
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Describe the ring structures in building block <BB_9869>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_9869>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9869>.
|
**Token:** <BB_9869>
**SMILES:** COc1cnc(CCl)cn1
**Molecular Formula:** C6H7ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_9870>.
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CCC(N)c1cccc(OC)c1OC
|
|
What is the building block token for the following molecule?
|
CCC(N)c1cccc(OC)c1OC
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<BB_9870>
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What is the molecular formula for <BB_9870>?
|
The molecular formula for <BB_9870> (CCC(N)c1cccc(OC)c1OC) is C11H17NO2.
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|
Describe the ring structures in building block <BB_9870>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9870>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9870>.
|
**Token:** <BB_9870>
**SMILES:** CCC(N)c1cccc(OC)c1OC
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
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|
Provide the SMILES representation for the building block token <BB_9871>.
|
CC(Cl)c1cccc([N+](=O)[O-])c1
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|
What is the building block token for the following molecule?
|
CC(Cl)c1cccc([N+](=O)[O-])c1
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<BB_9871>
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What is the molecular formula for <BB_9871>?
|
The molecular formula for <BB_9871> (CC(Cl)c1cccc([N+](=O)[O-])c1) is C8H8ClNO2.
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Describe the ring structures in building block <BB_9871>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9871>.
|
The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_9871>.
|
**Token:** <BB_9871>
**SMILES:** CC(Cl)c1cccc([N+](=O)[O-])c1
**Molecular Formula:** C8H8ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
|
|
Provide the SMILES representation for the building block token <BB_9872>.
|
COc1ccc2c(CC(=O)O)coc2c1C
|
|
What is the building block token for the following molecule?
|
COc1ccc2c(CC(=O)O)coc2c1C
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<BB_9872>
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What is the molecular formula for <BB_9872>?
|
The molecular formula for <BB_9872> (COc1ccc2c(CC(=O)O)coc2c1C) is C12H12O4.
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Describe the ring structures in building block <BB_9872>.
|
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_9872>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9872>.
|
**Token:** <BB_9872>
**SMILES:** COc1ccc2c(CC(=O)O)coc2c1C
**Molecular Formula:** C12H12O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether
|
|
Provide the SMILES representation for the building block token <BB_9873>.
|
NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1
|
|
What is the building block token for the following molecule?
|
NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1
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<BB_9873>
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What is the molecular formula for <BB_9873>?
|
The molecular formula for <BB_9873> (NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1) is C11H19N3O2S.
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Describe the ring structures in building block <BB_9873>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_9873>.
|
The molecule contains the following groups: Amine, Secondary Amine, Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_9873>.
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**Token:** <BB_9873>
**SMILES:** NC1(CNS(=O)(=O)c2cc[nH]c2)CCCCC1
**Molecular Formula:** C11H19N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Sulfonamide
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Provide the SMILES representation for the building block token <BB_9874>.
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CN(C)CCS(N)(=O)=O
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|
What is the building block token for the following molecule?
|
CN(C)CCS(N)(=O)=O
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<BB_9874>
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What is the molecular formula for <BB_9874>?
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The molecular formula for <BB_9874> (CN(C)CCS(N)(=O)=O) is C4H12N2O2S.
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Describe the ring structures in building block <BB_9874>.
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The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_9874>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_9874>.
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**Token:** <BB_9874>
**SMILES:** CN(C)CCS(N)(=O)=O
**Molecular Formula:** C4H12N2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide
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|
Provide the SMILES representation for the building block token <BB_9875>.
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O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]
|
|
What is the building block token for the following molecule?
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O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]
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<BB_9875>
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What is the molecular formula for <BB_9875>?
|
The molecular formula for <BB_9875> (O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]) is C4F3LiN2O2S.
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Describe the ring structures in building block <BB_9875>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9875>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9875>.
|
**Token:** <BB_9875>
**SMILES:** O=C([O-])c1nnc(C(F)(F)F)s1.[Li+]
**Molecular Formula:** C4F3LiN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_9876>.
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NCCCOCCCOCc1ccccc1
|
|
What is the building block token for the following molecule?
|
NCCCOCCCOCc1ccccc1
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<BB_9876>
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What is the molecular formula for <BB_9876>?
|
The molecular formula for <BB_9876> (NCCCOCCCOCc1ccccc1) is C13H21NO2.
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Describe the ring structures in building block <BB_9876>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_9876>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9876>.
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**Token:** <BB_9876>
**SMILES:** NCCCOCCCOCc1ccccc1
**Molecular Formula:** C13H21NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
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|
Provide the SMILES representation for the building block token <BB_9877>.
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O=C(NCCc1ccccc1)c1ccccc1
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|
What is the building block token for the following molecule?
|
O=C(NCCc1ccccc1)c1ccccc1
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<BB_9877>
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What is the molecular formula for <BB_9877>?
|
The molecular formula for <BB_9877> (O=C(NCCc1ccccc1)c1ccccc1) is C15H15NO.
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|
Describe the ring structures in building block <BB_9877>.
|
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_9877>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9877>.
|
**Token:** <BB_9877>
**SMILES:** O=C(NCCc1ccccc1)c1ccccc1
**Molecular Formula:** C15H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide
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|
Provide the SMILES representation for the building block token <BB_9878>.
|
C=C(CC)CN1CCSC(C)(C)C1
|
|
What is the building block token for the following molecule?
|
C=C(CC)CN1CCSC(C)(C)C1
|
<BB_9878>
|
What is the molecular formula for <BB_9878>?
|
The molecular formula for <BB_9878> (C=C(CC)CN1CCSC(C)(C)C1) is C11H21NS.
|
|
Describe the ring structures in building block <BB_9878>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9878>.
|
The molecule contains the following groups: Tertiary Amine, Sulfide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9878>.
|
**Token:** <BB_9878>
**SMILES:** C=C(CC)CN1CCSC(C)(C)C1
**Molecular Formula:** C11H21NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Sulfide
|
|
Provide the SMILES representation for the building block token <BB_9879>.
|
CC(C)c1ncccc1B(O)O
|
|
What is the building block token for the following molecule?
|
CC(C)c1ncccc1B(O)O
|
<BB_9879>
|
What is the molecular formula for <BB_9879>?
|
The molecular formula for <BB_9879> (CC(C)c1ncccc1B(O)O) is C8H12BNO2.
|
|
Describe the ring structures in building block <BB_9879>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9879>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_9879>.
|
**Token:** <BB_9879>
**SMILES:** CC(C)c1ncccc1B(O)O
**Molecular Formula:** C8H12BNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_9880>.
|
CC(C)c1noc(N)n1
|
|
What is the building block token for the following molecule?
|
CC(C)c1noc(N)n1
|
<BB_9880>
|
What is the molecular formula for <BB_9880>?
|
The molecular formula for <BB_9880> (CC(C)c1noc(N)n1) is C5H9N3O.
|
|
Describe the ring structures in building block <BB_9880>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9880>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9880>.
|
**Token:** <BB_9880>
**SMILES:** CC(C)c1noc(N)n1
**Molecular Formula:** C5H9N3O
**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_9881>.
|
CCn1cc(COc2ccc(N)cc2)c(C)n1
|
|
What is the building block token for the following molecule?
|
CCn1cc(COc2ccc(N)cc2)c(C)n1
|
<BB_9881>
|
What is the molecular formula for <BB_9881>?
|
The molecular formula for <BB_9881> (CCn1cc(COc2ccc(N)cc2)c(C)n1) is C13H17N3O.
|
|
Describe the ring structures in building block <BB_9881>.
|
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_9881>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9881>.
|
**Token:** <BB_9881>
**SMILES:** CCn1cc(COc2ccc(N)cc2)c(C)n1
**Molecular Formula:** C13H17N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_9882>.
|
Clc1nc(N2CCOCC2)c2ccsc2n1
|
|
What is the building block token for the following molecule?
|
Clc1nc(N2CCOCC2)c2ccsc2n1
|
<BB_9882>
|
What is the molecular formula for <BB_9882>?
|
The molecular formula for <BB_9882> (Clc1nc(N2CCOCC2)c2ccsc2n1) is C10H10ClN3OS.
|
|
Describe the ring structures in building block <BB_9882>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9882>.
|
The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9882>.
|
**Token:** <BB_9882>
**SMILES:** Clc1nc(N2CCOCC2)c2ccsc2n1
**Molecular Formula:** C10H10ClN3OS
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9883>.
|
CC1(C)OC2(CO)CCC1C2
|
|
What is the building block token for the following molecule?
|
CC1(C)OC2(CO)CCC1C2
|
<BB_9883>
|
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