instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9750>. | Cc1cc(C)c(N)c(C)n1.Cl | |
What is the building block token for the following molecule? | Cc1cc(C)c(N)c(C)n1.Cl | <BB_9750> |
What is the molecular formula for <BB_9750>? | The molecular formula for <BB_9750> (Cc1cc(C)c(N)c(C)n1.Cl) is C8H13ClN2. | |
Describe the ring structures in building block <BB_9750>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9750>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9750>. | **Token:** <BB_9750>
**SMILES:** Cc1cc(C)c(N)c(C)n1.Cl
**Molecular Formula:** C8H13ClN2
**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_9751>. | COc1cc(Br)cc(N=C=O)c1 | |
What is the building block token for the following molecule? | COc1cc(Br)cc(N=C=O)c1 | <BB_9751> |
What is the molecular formula for <BB_9751>? | The molecular formula for <BB_9751> (COc1cc(Br)cc(N=C=O)c1) is C8H6BrNO2. | |
Describe the ring structures in building block <BB_9751>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9751>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9751>. | **Token:** <BB_9751>
**SMILES:** COc1cc(Br)cc(N=C=O)c1
**Molecular Formula:** C8H6BrNO2
**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_9752>. | [N-]=[N+]=NCc1conc1C1CC1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1conc1C1CC1 | <BB_9752> |
What is the molecular formula for <BB_9752>? | The molecular formula for <BB_9752> ([N-]=[N+]=NCc1conc1C1CC1) is C7H8N4O. | |
Describe the ring structures in building block <BB_9752>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9752>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9752>. | **Token:** <BB_9752>
**SMILES:** [N-]=[N+]=NCc1conc1C1CC1
**Molecular Formula:** C7H8N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9753>. | O=CCc1cc(Cl)cc(Cl)c1 | |
What is the building block token for the following molecule? | O=CCc1cc(Cl)cc(Cl)c1 | <BB_9753> |
What is the molecular formula for <BB_9753>? | The molecular formula for <BB_9753> (O=CCc1cc(Cl)cc(Cl)c1) is C8H6Cl2O. | |
Describe the ring structures in building block <BB_9753>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9753>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9753>. | **Token:** <BB_9753>
**SMILES:** O=CCc1cc(Cl)cc(Cl)c1
**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_9754>. | Cl.Nc1cnn2ccc(C(=O)O)cc12 | |
What is the building block token for the following molecule? | Cl.Nc1cnn2ccc(C(=O)O)cc12 | <BB_9754> |
What is the molecular formula for <BB_9754>? | The molecular formula for <BB_9754> (Cl.Nc1cnn2ccc(C(=O)O)cc12) is C8H8ClN3O2. | |
Describe the ring structures in building block <BB_9754>. | 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_9754>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9754>. | **Token:** <BB_9754>
**SMILES:** Cl.Nc1cnn2ccc(C(=O)O)cc12
**Molecular Formula:** C8H8ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9755>. | N#Cc1cccc(Oc2cccc(F)c2)c1 | |
What is the building block token for the following molecule? | N#Cc1cccc(Oc2cccc(F)c2)c1 | <BB_9755> |
What is the molecular formula for <BB_9755>? | The molecular formula for <BB_9755> (N#Cc1cccc(Oc2cccc(F)c2)c1) is C13H8FNO. | |
Describe the ring structures in building block <BB_9755>. | 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_9755>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9755>. | **Token:** <BB_9755>
**SMILES:** N#Cc1cccc(Oc2cccc(F)c2)c1
**Molecular Formula:** C13H8FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9756>. | CS(=N)(=O)CCCO | |
What is the building block token for the following molecule? | CS(=N)(=O)CCCO | <BB_9756> |
What is the molecular formula for <BB_9756>? | The molecular formula for <BB_9756> (CS(=N)(=O)CCCO) is C4H11NO2S. | |
Describe the ring structures in building block <BB_9756>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9756>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9756>. | **Token:** <BB_9756>
**SMILES:** CS(=N)(=O)CCCO
**Molecular Formula:** C4H11NO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9757>. | Cc1nn(C2CC2)cc1C(=O)O | |
What is the building block token for the following molecule? | Cc1nn(C2CC2)cc1C(=O)O | <BB_9757> |
What is the molecular formula for <BB_9757>? | The molecular formula for <BB_9757> (Cc1nn(C2CC2)cc1C(=O)O) is C8H10N2O2. | |
Describe the ring structures in building block <BB_9757>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9757>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9757>. | **Token:** <BB_9757>
**SMILES:** Cc1nn(C2CC2)cc1C(=O)O
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9758>. | Cc1c(C)c(CN)c(C)c(C)c1Br.Cl | |
What is the building block token for the following molecule? | Cc1c(C)c(CN)c(C)c(C)c1Br.Cl | <BB_9758> |
What is the molecular formula for <BB_9758>? | The molecular formula for <BB_9758> (Cc1c(C)c(CN)c(C)c(C)c1Br.Cl) is C11H17BrClN. | |
Describe the ring structures in building block <BB_9758>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9758>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9758>. | **Token:** <BB_9758>
**SMILES:** Cc1c(C)c(CN)c(C)c(C)c1Br.Cl
**Molecular Formula:** C11H17BrClN
**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_9759>. | Cl.NCc1cnoc1C1CC1 | |
What is the building block token for the following molecule? | Cl.NCc1cnoc1C1CC1 | <BB_9759> |
What is the molecular formula for <BB_9759>? | The molecular formula for <BB_9759> (Cl.NCc1cnoc1C1CC1) is C7H11ClN2O. | |
Describe the ring structures in building block <BB_9759>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9759>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9759>. | **Token:** <BB_9759>
**SMILES:** Cl.NCc1cnoc1C1CC1
**Molecular Formula:** C7H11ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9760>. | C#CC(N)C(C)(C)OC | |
What is the building block token for the following molecule? | C#CC(N)C(C)(C)OC | <BB_9760> |
What is the molecular formula for <BB_9760>? | The molecular formula for <BB_9760> (C#CC(N)C(C)(C)OC) is C7H13NO. | |
Describe the ring structures in building block <BB_9760>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9760>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9760>. | **Token:** <BB_9760>
**SMILES:** C#CC(N)C(C)(C)OC
**Molecular Formula:** C7H13NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9761>. | O=S1OCC2(CCCCC2)CO1 | |
What is the building block token for the following molecule? | O=S1OCC2(CCCCC2)CO1 | <BB_9761> |
What is the molecular formula for <BB_9761>? | The molecular formula for <BB_9761> (O=S1OCC2(CCCCC2)CO1) is C8H14O3S. | |
Describe the ring structures in building block <BB_9761>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9761>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9761>. | **Token:** <BB_9761>
**SMILES:** O=S1OCC2(CCCCC2)CO1
**Molecular Formula:** C8H14O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9762>. | C#Cc1ccc(N)c(F)c1 | |
What is the building block token for the following molecule? | C#Cc1ccc(N)c(F)c1 | <BB_9762> |
What is the molecular formula for <BB_9762>? | The molecular formula for <BB_9762> (C#Cc1ccc(N)c(F)c1) is C8H6FN. | |
Describe the ring structures in building block <BB_9762>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9762>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9762>. | **Token:** <BB_9762>
**SMILES:** C#Cc1ccc(N)c(F)c1
**Molecular Formula:** C8H6FN
**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_9763>. | CC(C)c1nccn1CC(=O)O | |
What is the building block token for the following molecule? | CC(C)c1nccn1CC(=O)O | <BB_9763> |
What is the molecular formula for <BB_9763>? | The molecular formula for <BB_9763> (CC(C)c1nccn1CC(=O)O) is C8H12N2O2. | |
Describe the ring structures in building block <BB_9763>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9763>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9763>. | **Token:** <BB_9763>
**SMILES:** CC(C)c1nccn1CC(=O)O
**Molecular Formula:** C8H12N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9764>. | Clc1cn2c(Br)cnc2cn1 | |
What is the building block token for the following molecule? | Clc1cn2c(Br)cnc2cn1 | <BB_9764> |
What is the molecular formula for <BB_9764>? | The molecular formula for <BB_9764> (Clc1cn2c(Br)cnc2cn1) is C6H3BrClN3. | |
Describe the ring structures in building block <BB_9764>. | 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_9764>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9764>. | **Token:** <BB_9764>
**SMILES:** Clc1cn2c(Br)cnc2cn1
**Molecular Formula:** C6H3BrClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9765>. | Cl.O=C(O)C1CNc2ccccc2C1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CNc2ccccc2C1 | <BB_9765> |
What is the molecular formula for <BB_9765>? | The molecular formula for <BB_9765> (Cl.O=C(O)C1CNc2ccccc2C1) is C10H12ClNO2. | |
Describe the ring structures in building block <BB_9765>. | 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_9765>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9765>. | **Token:** <BB_9765>
**SMILES:** Cl.O=C(O)C1CNc2ccccc2C1
**Molecular Formula:** C10H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9766>. | CC1OC2(C)CC1(CO)C2 | |
What is the building block token for the following molecule? | CC1OC2(C)CC1(CO)C2 | <BB_9766> |
What is the molecular formula for <BB_9766>? | The molecular formula for <BB_9766> (CC1OC2(C)CC1(CO)C2) is C8H14O2. | |
Describe the ring structures in building block <BB_9766>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. |
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