instruction
stringlengths 41
142
| input
stringlengths 0
478
| output
stringlengths 4
382
|
|---|---|---|
What is the molecular formula for <BB_483>?
|
The molecular formula for <BB_483> (Cc1ncn(C)c1C(=O)[O-].[K+]) is C6H7KN2O2.
|
|
Describe the ring structures in building block <BB_483>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_483>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_483>.
|
**Token:** <BB_483>
**SMILES:** Cc1ncn(C)c1C(=O)[O-].[K+]
**Molecular Formula:** C6H7KN2O2
**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_484>.
|
CCOC(=O)Cc1ccc(O)c(C)c1
|
|
What is the building block token for the following molecule?
|
CCOC(=O)Cc1ccc(O)c(C)c1
|
<BB_484>
|
What is the molecular formula for <BB_484>?
|
The molecular formula for <BB_484> (CCOC(=O)Cc1ccc(O)c(C)c1) is C11H14O3.
|
|
Describe the ring structures in building block <BB_484>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_484>.
|
The molecule contains the following groups: Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_484>.
|
**Token:** <BB_484>
**SMILES:** CCOC(=O)Cc1ccc(O)c(C)c1
**Molecular Formula:** C11H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_485>.
|
O=C(O)CC1(C(F)(F)F)CNC(=O)C1
|
|
What is the building block token for the following molecule?
|
O=C(O)CC1(C(F)(F)F)CNC(=O)C1
|
<BB_485>
|
What is the molecular formula for <BB_485>?
|
The molecular formula for <BB_485> (O=C(O)CC1(C(F)(F)F)CNC(=O)C1) is C7H8F3NO3.
|
|
Describe the ring structures in building block <BB_485>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_485>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_485>.
|
**Token:** <BB_485>
**SMILES:** O=C(O)CC1(C(F)(F)F)CNC(=O)C1
**Molecular Formula:** C7H8F3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_486>.
|
C#CCCN1CCCC2(C1)OCCO2
|
|
What is the building block token for the following molecule?
|
C#CCCN1CCCC2(C1)OCCO2
|
<BB_486>
|
What is the molecular formula for <BB_486>?
|
The molecular formula for <BB_486> (C#CCCN1CCCC2(C1)OCCO2) is C11H17NO2.
|
|
Describe the ring structures in building block <BB_486>.
|
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_486>.
|
The molecule contains the following groups: Tertiary Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_486>.
|
**Token:** <BB_486>
**SMILES:** C#CCCN1CCCC2(C1)OCCO2
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_487>.
|
CC(C)Oc1nccc(CN)n1
|
|
What is the building block token for the following molecule?
|
CC(C)Oc1nccc(CN)n1
|
<BB_487>
|
What is the molecular formula for <BB_487>?
|
The molecular formula for <BB_487> (CC(C)Oc1nccc(CN)n1) is C8H13N3O.
|
|
Describe the ring structures in building block <BB_487>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_487>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_487>.
|
**Token:** <BB_487>
**SMILES:** CC(C)Oc1nccc(CN)n1
**Molecular Formula:** C8H13N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_488>.
|
COc1cnc(CO)c(C)c1
|
|
What is the building block token for the following molecule?
|
COc1cnc(CO)c(C)c1
|
<BB_488>
|
What is the molecular formula for <BB_488>?
|
The molecular formula for <BB_488> (COc1cnc(CO)c(C)c1) is C8H11NO2.
|
|
Describe the ring structures in building block <BB_488>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_488>.
|
The molecule contains the following groups: Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_488>.
|
**Token:** <BB_488>
**SMILES:** COc1cnc(CO)c(C)c1
**Molecular Formula:** C8H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_489>.
|
Cc1cc(I)ccc1N
|
|
What is the building block token for the following molecule?
|
Cc1cc(I)ccc1N
|
<BB_489>
|
What is the molecular formula for <BB_489>?
|
The molecular formula for <BB_489> (Cc1cc(I)ccc1N) is C7H8IN.
|
|
Describe the ring structures in building block <BB_489>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_489>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_489>.
|
**Token:** <BB_489>
**SMILES:** Cc1cc(I)ccc1N
**Molecular Formula:** C7H8IN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_490>.
|
Sc1ccc2[nH]ccc2c1
|
|
What is the building block token for the following molecule?
|
Sc1ccc2[nH]ccc2c1
|
<BB_490>
|
What is the molecular formula for <BB_490>?
|
The molecular formula for <BB_490> (Sc1ccc2[nH]ccc2c1) is C8H7NS.
|
|
Describe the ring structures in building block <BB_490>.
|
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_490>.
|
The molecule contains the following groups: Thiol.
|
|
Provide a comprehensive chemical profile for the building block <BB_490>.
|
**Token:** <BB_490>
**SMILES:** Sc1ccc2[nH]ccc2c1
**Molecular Formula:** C8H7NS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Thiol
|
|
Provide the SMILES representation for the building block token <BB_491>.
|
CCc1ccc(CBr)c(C)c1
|
|
What is the building block token for the following molecule?
|
CCc1ccc(CBr)c(C)c1
|
<BB_491>
|
What is the molecular formula for <BB_491>?
|
The molecular formula for <BB_491> (CCc1ccc(CBr)c(C)c1) is C10H13Br.
|
|
Describe the ring structures in building block <BB_491>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_491>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_491>.
|
**Token:** <BB_491>
**SMILES:** CCc1ccc(CBr)c(C)c1
**Molecular Formula:** C10H13Br
**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_492>.
|
Cc1c(Cl)cc(C=O)cc1Cl
|
|
What is the building block token for the following molecule?
|
Cc1c(Cl)cc(C=O)cc1Cl
|
<BB_492>
|
What is the molecular formula for <BB_492>?
|
The molecular formula for <BB_492> (Cc1c(Cl)cc(C=O)cc1Cl) is C8H6Cl2O.
|
|
Describe the ring structures in building block <BB_492>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_492>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_492>.
|
**Token:** <BB_492>
**SMILES:** Cc1c(Cl)cc(C=O)cc1Cl
**Molecular Formula:** C8H6Cl2O
**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_493>.
|
Cc1c(N)nc(-c2ccccn2)nc1Cl
|
|
What is the building block token for the following molecule?
|
Cc1c(N)nc(-c2ccccn2)nc1Cl
|
<BB_493>
|
What is the molecular formula for <BB_493>?
|
The molecular formula for <BB_493> (Cc1c(N)nc(-c2ccccn2)nc1Cl) is C10H9ClN4.
|
|
Describe the ring structures in building block <BB_493>.
|
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_493>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_493>.
|
**Token:** <BB_493>
**SMILES:** Cc1c(N)nc(-c2ccccn2)nc1Cl
**Molecular Formula:** C10H9ClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_494>.
|
COC(=O)C1COC(=O)N1
|
|
What is the building block token for the following molecule?
|
COC(=O)C1COC(=O)N1
|
<BB_494>
|
What is the molecular formula for <BB_494>?
|
The molecular formula for <BB_494> (COC(=O)C1COC(=O)N1) is C5H7NO4.
|
|
Describe the ring structures in building block <BB_494>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_494>.
|
The molecule contains the following groups: Amide, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_494>.
|
**Token:** <BB_494>
**SMILES:** COC(=O)C1COC(=O)N1
**Molecular Formula:** C5H7NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_495>.
|
CC1(C=O)CCC1
|
|
What is the building block token for the following molecule?
|
CC1(C=O)CCC1
|
<BB_495>
|
What is the molecular formula for <BB_495>?
|
The molecular formula for <BB_495> (CC1(C=O)CCC1) is C6H10O.
|
|
Describe the ring structures in building block <BB_495>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_495>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_495>.
|
**Token:** <BB_495>
**SMILES:** CC1(C=O)CCC1
**Molecular Formula:** C6H10O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_496>.
|
Cc1cc(CO)cc(C=O)n1
|
|
What is the building block token for the following molecule?
|
Cc1cc(CO)cc(C=O)n1
|
<BB_496>
|
What is the molecular formula for <BB_496>?
|
The molecular formula for <BB_496> (Cc1cc(CO)cc(C=O)n1) is C8H9NO2.
|
|
Describe the ring structures in building block <BB_496>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_496>.
|
The molecule contains the following groups: Aldehyde, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_496>.
|
**Token:** <BB_496>
**SMILES:** Cc1cc(CO)cc(C=O)n1
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_497>.
|
Nc1cccc(-n2ccnc2)c1
|
|
What is the building block token for the following molecule?
|
Nc1cccc(-n2ccnc2)c1
|
<BB_497>
|
What is the molecular formula for <BB_497>?
|
The molecular formula for <BB_497> (Nc1cccc(-n2ccnc2)c1) is C9H9N3.
|
|
Describe the ring structures in building block <BB_497>.
|
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_497>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_497>.
|
**Token:** <BB_497>
**SMILES:** Nc1cccc(-n2ccnc2)c1
**Molecular Formula:** C9H9N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_498>.
|
O=CC[C@@]12CCC[C@@H]1C2
|
|
What is the building block token for the following molecule?
|
O=CC[C@@]12CCC[C@@H]1C2
|
<BB_498>
|
What is the molecular formula for <BB_498>?
|
The molecular formula for <BB_498> (O=CC[C@@]12CCC[C@@H]1C2) is C8H12O.
|
|
Describe the ring structures in building block <BB_498>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_498>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_498>.
|
**Token:** <BB_498>
**SMILES:** O=CC[C@@]12CCC[C@@H]1C2
**Molecular Formula:** C8H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_499>.
|
Nc1ncc(Cl)c(F)n1
|
|
What is the building block token for the following molecule?
|
Nc1ncc(Cl)c(F)n1
|
<BB_499>
|
What is the molecular formula for <BB_499>?
|
The molecular formula for <BB_499> (Nc1ncc(Cl)c(F)n1) is C4H3ClFN3.
|
|
Describe the ring structures in building block <BB_499>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_499>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_499>.
|
**Token:** <BB_499>
**SMILES:** Nc1ncc(Cl)c(F)n1
**Molecular Formula:** C4H3ClFN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.