instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2800>. | Cl.Cn1nccc1C(N)C(F)F | |
What is the building block token for the following molecule? | Cl.Cn1nccc1C(N)C(F)F | <BB_2800> |
What is the molecular formula for <BB_2800>? | The molecular formula for <BB_2800> (Cl.Cn1nccc1C(N)C(F)F) is C6H10ClF2N3. | |
Describe the ring structures in building block <BB_2800>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2800>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2800>. | **Token:** <BB_2800>
**SMILES:** Cl.Cn1nccc1C(N)C(F)F
**Molecular Formula:** C6H10ClF2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2801>. | CC(C)c1cccc(NC(N)=S)c1 | |
What is the building block token for the following molecule? | CC(C)c1cccc(NC(N)=S)c1 | <BB_2801> |
What is the molecular formula for <BB_2801>? | The molecular formula for <BB_2801> (CC(C)c1cccc(NC(N)=S)c1) is C10H14N2S. | |
Describe the ring structures in building block <BB_2801>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2801>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2801>. | **Token:** <BB_2801>
**SMILES:** CC(C)c1cccc(NC(N)=S)c1
**Molecular Formula:** C10H14N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2802>. | COC(=O)c1ccco1 | |
What is the building block token for the following molecule? | COC(=O)c1ccco1 | <BB_2802> |
What is the molecular formula for <BB_2802>? | The molecular formula for <BB_2802> (COC(=O)c1ccco1) is C6H6O3. | |
Describe the ring structures in building block <BB_2802>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2802>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2802>. | **Token:** <BB_2802>
**SMILES:** COC(=O)c1ccco1
**Molecular Formula:** C6H6O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2803>. | CC(C)(C)OC(=O)N1CC2(CC(O)CNC2=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2(CC(O)CNC2=O)C1 | <BB_2803> |
What is the molecular formula for <BB_2803>? | The molecular formula for <BB_2803> (CC(C)(C)OC(=O)N1CC2(CC(O)CNC2=O)C1) is C12H20N2O4. | |
Describe the ring structures in building block <BB_2803>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2803>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2803>. | **Token:** <BB_2803>
**SMILES:** CC(C)(C)OC(=O)N1CC2(CC(O)CNC2=O)C1
**Molecular Formula:** C12H20N2O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2804>. | [N-]=[N+]=NCc1cnn(-c2ccccc2)c1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1cnn(-c2ccccc2)c1 | <BB_2804> |
What is the molecular formula for <BB_2804>? | The molecular formula for <BB_2804> ([N-]=[N+]=NCc1cnn(-c2ccccc2)c1) is C10H9N5. | |
Describe the ring structures in building block <BB_2804>. | 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_2804>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2804>. | **Token:** <BB_2804>
**SMILES:** [N-]=[N+]=NCc1cnn(-c2ccccc2)c1
**Molecular Formula:** C10H9N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2805>. | Cc1cc(Cl)cc(C=O)n1 | |
What is the building block token for the following molecule? | Cc1cc(Cl)cc(C=O)n1 | <BB_2805> |
What is the molecular formula for <BB_2805>? | The molecular formula for <BB_2805> (Cc1cc(Cl)cc(C=O)n1) is C7H6ClNO. | |
Describe the ring structures in building block <BB_2805>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2805>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2805>. | **Token:** <BB_2805>
**SMILES:** Cc1cc(Cl)cc(C=O)n1
**Molecular Formula:** C7H6ClNO
**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_2806>. | Fc1sccc1I | |
What is the building block token for the following molecule? | Fc1sccc1I | <BB_2806> |
What is the molecular formula for <BB_2806>? | The molecular formula for <BB_2806> (Fc1sccc1I) is C4H2FIS. | |
Describe the ring structures in building block <BB_2806>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2806>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2806>. | **Token:** <BB_2806>
**SMILES:** Fc1sccc1I
**Molecular Formula:** C4H2FIS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2807>. | Nc1ccccc1CN1CCCC1 | |
What is the building block token for the following molecule? | Nc1ccccc1CN1CCCC1 | <BB_2807> |
What is the molecular formula for <BB_2807>? | The molecular formula for <BB_2807> (Nc1ccccc1CN1CCCC1) is C11H16N2. | |
Describe the ring structures in building block <BB_2807>. | 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_2807>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2807>. | **Token:** <BB_2807>
**SMILES:** Nc1ccccc1CN1CCCC1
**Molecular Formula:** C11H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2808>. | Cc1c(Cl)ccnc1CCl.Cl | |
What is the building block token for the following molecule? | Cc1c(Cl)ccnc1CCl.Cl | <BB_2808> |
What is the molecular formula for <BB_2808>? | The molecular formula for <BB_2808> (Cc1c(Cl)ccnc1CCl.Cl) is C7H8Cl3N. | |
Describe the ring structures in building block <BB_2808>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2808>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2808>. | **Token:** <BB_2808>
**SMILES:** Cc1c(Cl)ccnc1CCl.Cl
**Molecular Formula:** C7H8Cl3N
**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_2809>. | CCC(CCl)c1cccc(Br)c1 | |
What is the building block token for the following molecule? | CCC(CCl)c1cccc(Br)c1 | <BB_2809> |
What is the molecular formula for <BB_2809>? | The molecular formula for <BB_2809> (CCC(CCl)c1cccc(Br)c1) is C10H12BrCl. | |
Describe the ring structures in building block <BB_2809>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2809>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2809>. | **Token:** <BB_2809>
**SMILES:** CCC(CCl)c1cccc(Br)c1
**Molecular Formula:** C10H12BrCl
**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_2810>. | O=C(O)c1cc2cnccc2s1 | |
What is the building block token for the following molecule? | O=C(O)c1cc2cnccc2s1 | <BB_2810> |
What is the molecular formula for <BB_2810>? | The molecular formula for <BB_2810> (O=C(O)c1cc2cnccc2s1) is C8H5NO2S. | |
Describe the ring structures in building block <BB_2810>. | 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_2810>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2810>. | **Token:** <BB_2810>
**SMILES:** O=C(O)c1cc2cnccc2s1
**Molecular Formula:** C8H5NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2811>. | Cl.O=C(O)CCCN1CCCC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)CCCN1CCCC1 | <BB_2811> |
What is the molecular formula for <BB_2811>? | The molecular formula for <BB_2811> (Cl.O=C(O)CCCN1CCCC1) is C8H16ClNO2. | |
Describe the ring structures in building block <BB_2811>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2811>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2811>. | **Token:** <BB_2811>
**SMILES:** Cl.O=C(O)CCCN1CCCC1
**Molecular Formula:** C8H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2812>. | CC(C)(C)OC(=O)NC1CC=CCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CC=CCC1 | <BB_2812> |
What is the molecular formula for <BB_2812>? | The molecular formula for <BB_2812> (CC(C)(C)OC(=O)NC1CC=CCC1) is C11H19NO2. | |
Describe the ring structures in building block <BB_2812>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2812>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2812>. | **Token:** <BB_2812>
**SMILES:** CC(C)(C)OC(=O)NC1CC=CCC1
**Molecular Formula:** C11H19NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2813>. | COc1cc(CN)ccc1OCCO | |
What is the building block token for the following molecule? | COc1cc(CN)ccc1OCCO | <BB_2813> |
What is the molecular formula for <BB_2813>? | The molecular formula for <BB_2813> (COc1cc(CN)ccc1OCCO) is C10H15NO3. | |
Describe the ring structures in building block <BB_2813>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2813>. | The molecule contains the following groups: Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2813>. | **Token:** <BB_2813>
**SMILES:** COc1cc(CN)ccc1OCCO
**Molecular Formula:** C10H15NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2814>. | COC(=O)CC(C)Nc1ccc2c(c1)OCO2 | |
What is the building block token for the following molecule? | COC(=O)CC(C)Nc1ccc2c(c1)OCO2 | <BB_2814> |
What is the molecular formula for <BB_2814>? | The molecular formula for <BB_2814> (COC(=O)CC(C)Nc1ccc2c(c1)OCO2) is C12H15NO4. | |
Describe the ring structures in building block <BB_2814>. | 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_2814>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2814>. | **Token:** <BB_2814>
**SMILES:** COC(=O)CC(C)Nc1ccc2c(c1)OCO2
**Molecular Formula:** C12H15NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2815>. | NC[C@@H]1CCO[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | NC[C@@H]1CCO[C@H]1c1ccccc1 | <BB_2815> |
What is the molecular formula for <BB_2815>? | The molecular formula for <BB_2815> (NC[C@@H]1CCO[C@H]1c1ccccc1) is C11H15NO. | |
Describe the ring structures in building block <BB_2815>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2815>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2815>. | **Token:** <BB_2815>
**SMILES:** NC[C@@H]1CCO[C@H]1c1ccccc1
**Molecular Formula:** C11H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2816>. | O=Cc1nc(C2CC2)no1 | |
What is the building block token for the following molecule? | O=Cc1nc(C2CC2)no1 | <BB_2816> |
What is the molecular formula for <BB_2816>? | The molecular formula for <BB_2816> (O=Cc1nc(C2CC2)no1) is C6H6N2O2. | |
Describe the ring structures in building block <BB_2816>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. |
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