instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2650>. | COC(=O)C1(S(C)(=O)=O)CNC1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(S(C)(=O)=O)CNC1.Cl | <BB_2650> |
What is the molecular formula for <BB_2650>? | The molecular formula for <BB_2650> (COC(=O)C1(S(C)(=O)=O)CNC1.Cl) is C6H12ClNO4S. | |
Describe the ring structures in building block <BB_2650>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2650>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2650>. | **Token:** <BB_2650>
**SMILES:** COC(=O)C1(S(C)(=O)=O)CNC1.Cl
**Molecular Formula:** C6H12ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2651>. | C#CCCN(CC)CC.Cl | |
What is the building block token for the following molecule? | C#CCCN(CC)CC.Cl | <BB_2651> |
What is the molecular formula for <BB_2651>? | The molecular formula for <BB_2651> (C#CCCN(CC)CC.Cl) is C8H16ClN. | |
Describe the ring structures in building block <BB_2651>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2651>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2651>. | **Token:** <BB_2651>
**SMILES:** C#CCCN(CC)CC.Cl
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2652>. | CC(C)Cc1ccc(C=O)cn1 | |
What is the building block token for the following molecule? | CC(C)Cc1ccc(C=O)cn1 | <BB_2652> |
What is the molecular formula for <BB_2652>? | The molecular formula for <BB_2652> (CC(C)Cc1ccc(C=O)cn1) is C10H13NO. | |
Describe the ring structures in building block <BB_2652>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2652>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2652>. | **Token:** <BB_2652>
**SMILES:** CC(C)Cc1ccc(C=O)cn1
**Molecular Formula:** C10H13NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2653>. | O=Cc1cnc2c(c1)COC2 | |
What is the building block token for the following molecule? | O=Cc1cnc2c(c1)COC2 | <BB_2653> |
What is the molecular formula for <BB_2653>? | The molecular formula for <BB_2653> (O=Cc1cnc2c(c1)COC2) is C8H7NO2. | |
Describe the ring structures in building block <BB_2653>. | 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_2653>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2653>. | **Token:** <BB_2653>
**SMILES:** O=Cc1cnc2c(c1)COC2
**Molecular Formula:** C8H7NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2654>. | FC(F)(F)COc1cccc(Br)c1 | |
What is the building block token for the following molecule? | FC(F)(F)COc1cccc(Br)c1 | <BB_2654> |
What is the molecular formula for <BB_2654>? | The molecular formula for <BB_2654> (FC(F)(F)COc1cccc(Br)c1) is C8H6BrF3O. | |
Describe the ring structures in building block <BB_2654>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2654>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2654>. | **Token:** <BB_2654>
**SMILES:** FC(F)(F)COc1cccc(Br)c1
**Molecular Formula:** C8H6BrF3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2655>. | CC(=O)c1cc(I)ccc1Br | |
What is the building block token for the following molecule? | CC(=O)c1cc(I)ccc1Br | <BB_2655> |
What is the molecular formula for <BB_2655>? | The molecular formula for <BB_2655> (CC(=O)c1cc(I)ccc1Br) is C8H6BrIO. | |
Describe the ring structures in building block <BB_2655>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2655>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2655>. | **Token:** <BB_2655>
**SMILES:** CC(=O)c1cc(I)ccc1Br
**Molecular Formula:** C8H6BrIO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2656>. | CC1(C)C(=O)C(C)(C)C1=O | |
What is the building block token for the following molecule? | CC1(C)C(=O)C(C)(C)C1=O | <BB_2656> |
What is the molecular formula for <BB_2656>? | The molecular formula for <BB_2656> (CC1(C)C(=O)C(C)(C)C1=O) is C8H12O2. | |
Describe the ring structures in building block <BB_2656>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2656>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2656>. | **Token:** <BB_2656>
**SMILES:** CC1(C)C(=O)C(C)(C)C1=O
**Molecular Formula:** C8H12O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2657>. | CN1C(=O)CCc2cc(C(=O)O)ccc21 | |
What is the building block token for the following molecule? | CN1C(=O)CCc2cc(C(=O)O)ccc21 | <BB_2657> |
What is the molecular formula for <BB_2657>? | The molecular formula for <BB_2657> (CN1C(=O)CCc2cc(C(=O)O)ccc21) is C11H11NO3. | |
Describe the ring structures in building block <BB_2657>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2657>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2657>. | **Token:** <BB_2657>
**SMILES:** CN1C(=O)CCc2cc(C(=O)O)ccc21
**Molecular Formula:** C11H11NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2658>. | O=C1CC[C@@H](C2CCC2)N1 | |
What is the building block token for the following molecule? | O=C1CC[C@@H](C2CCC2)N1 | <BB_2658> |
What is the molecular formula for <BB_2658>? | The molecular formula for <BB_2658> (O=C1CC[C@@H](C2CCC2)N1) is C8H13NO. | |
Describe the ring structures in building block <BB_2658>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2658>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2658>. | **Token:** <BB_2658>
**SMILES:** O=C1CC[C@@H](C2CCC2)N1
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2659>. | Cc1nc(-c2ccc(Br)cc2)sc1C(C)O | |
What is the building block token for the following molecule? | Cc1nc(-c2ccc(Br)cc2)sc1C(C)O | <BB_2659> |
What is the molecular formula for <BB_2659>? | The molecular formula for <BB_2659> (Cc1nc(-c2ccc(Br)cc2)sc1C(C)O) is C12H12BrNOS. | |
Describe the ring structures in building block <BB_2659>. | 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_2659>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2659>. | **Token:** <BB_2659>
**SMILES:** Cc1nc(-c2ccc(Br)cc2)sc1C(C)O
**Molecular Formula:** C12H12BrNOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2660>. | FC1(F)CCC(CBr)C1 | |
What is the building block token for the following molecule? | FC1(F)CCC(CBr)C1 | <BB_2660> |
What is the molecular formula for <BB_2660>? | The molecular formula for <BB_2660> (FC1(F)CCC(CBr)C1) is C6H9BrF2. | |
Describe the ring structures in building block <BB_2660>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2660>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2660>. | **Token:** <BB_2660>
**SMILES:** FC1(F)CCC(CBr)C1
**Molecular Formula:** C6H9BrF2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2661>. | COC(=O)CCCC(=O)Cl | |
What is the building block token for the following molecule? | COC(=O)CCCC(=O)Cl | <BB_2661> |
What is the molecular formula for <BB_2661>? | The molecular formula for <BB_2661> (COC(=O)CCCC(=O)Cl) is C6H9ClO3. | |
Describe the ring structures in building block <BB_2661>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2661>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2661>. | **Token:** <BB_2661>
**SMILES:** COC(=O)CCCC(=O)Cl
**Molecular Formula:** C6H9ClO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2662>. | CC(C)(C)c1ccc(CN)o1 | |
What is the building block token for the following molecule? | CC(C)(C)c1ccc(CN)o1 | <BB_2662> |
What is the molecular formula for <BB_2662>? | The molecular formula for <BB_2662> (CC(C)(C)c1ccc(CN)o1) is C9H15NO. | |
Describe the ring structures in building block <BB_2662>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2662>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2662>. | **Token:** <BB_2662>
**SMILES:** CC(C)(C)c1ccc(CN)o1
**Molecular Formula:** C9H15NO
**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_2663>. | CN(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1 | |
What is the building block token for the following molecule? | CN(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1 | <BB_2663> |
What is the molecular formula for <BB_2663>? | The molecular formula for <BB_2663> (CN(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1) is C12H15NO2. | |
Describe the ring structures in building block <BB_2663>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2663>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2663>. | **Token:** <BB_2663>
**SMILES:** CN(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1
**Molecular Formula:** C12H15NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2664>. | CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)O)C1 | <BB_2664> |
What is the molecular formula for <BB_2664>? | The molecular formula for <BB_2664> (CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)O)C1) is C13H23NO5. | |
Describe the ring structures in building block <BB_2664>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2664>. | The molecule contains the following groups: Carboxylic Acid, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2664>. | **Token:** <BB_2664>
**SMILES:** CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)O)C1
**Molecular Formula:** C13H23NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2665>. | C/C=N/[S@](=O)C(C)(C)C | |
What is the building block token for the following molecule? | C/C=N/[S@](=O)C(C)(C)C | <BB_2665> |
What is the molecular formula for <BB_2665>? | The molecular formula for <BB_2665> (C/C=N/[S@](=O)C(C)(C)C) is C6H13NOS. | |
Describe the ring structures in building block <BB_2665>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2665>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2665>. | **Token:** <BB_2665>
**SMILES:** C/C=N/[S@](=O)C(C)(C)C
**Molecular Formula:** C6H13NOS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2666>. | CC(C)(C)C(C)(CBr)CBr | |
What is the building block token for the following molecule? | CC(C)(C)C(C)(CBr)CBr | <BB_2666> |
What is the molecular formula for <BB_2666>? | The molecular formula for <BB_2666> (CC(C)(C)C(C)(CBr)CBr) is C8H16Br2. | |
Describe the ring structures in building block <BB_2666>. | The molecule is acyclic (contains no rings). |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.