instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2933>? | The molecular formula for <BB_2933> (CC(C)(C)OC(=O)Nc1cccnc1C(F)(F)F) is C11H13F3N2O2. | |
Describe the ring structures in building block <BB_2933>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2933>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2933>. | **Token:** <BB_2933>
**SMILES:** CC(C)(C)OC(=O)Nc1cccnc1C(F)(F)F
**Molecular Formula:** C11H13F3N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2934>. | Cn1cnc(C(=O)O)c1 | |
What is the building block token for the following molecule? | Cn1cnc(C(=O)O)c1 | <BB_2934> |
What is the molecular formula for <BB_2934>? | The molecular formula for <BB_2934> (Cn1cnc(C(=O)O)c1) is C5H6N2O2. | |
Describe the ring structures in building block <BB_2934>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2934>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2934>. | **Token:** <BB_2934>
**SMILES:** Cn1cnc(C(=O)O)c1
**Molecular Formula:** C5H6N2O2
**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_2935>. | C1CC(NC2COC2)CO1 | |
What is the building block token for the following molecule? | C1CC(NC2COC2)CO1 | <BB_2935> |
What is the molecular formula for <BB_2935>? | The molecular formula for <BB_2935> (C1CC(NC2COC2)CO1) is C7H13NO2. | |
Describe the ring structures in building block <BB_2935>. | 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_2935>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2935>. | **Token:** <BB_2935>
**SMILES:** C1CC(NC2COC2)CO1
**Molecular Formula:** C7H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2936>. | CC1(C)COC(Nc2ccc(N)cc2)=N1 | |
What is the building block token for the following molecule? | CC1(C)COC(Nc2ccc(N)cc2)=N1 | <BB_2936> |
What is the molecular formula for <BB_2936>? | The molecular formula for <BB_2936> (CC1(C)COC(Nc2ccc(N)cc2)=N1) is C11H15N3O. | |
Describe the ring structures in building block <BB_2936>. | 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_2936>. | The molecule contains the following groups: Amine, Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2936>. | **Token:** <BB_2936>
**SMILES:** CC1(C)COC(Nc2ccc(N)cc2)=N1
**Molecular Formula:** C11H15N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2937>. | CN(C)S(=O)(=O)c1cccc2c1CCNC2.Cl | |
What is the building block token for the following molecule? | CN(C)S(=O)(=O)c1cccc2c1CCNC2.Cl | <BB_2937> |
What is the molecular formula for <BB_2937>? | The molecular formula for <BB_2937> (CN(C)S(=O)(=O)c1cccc2c1CCNC2.Cl) is C11H17ClN2O2S. | |
Describe the ring structures in building block <BB_2937>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2937>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2937>. | **Token:** <BB_2937>
**SMILES:** CN(C)S(=O)(=O)c1cccc2c1CCNC2.Cl
**Molecular Formula:** C11H17ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2938>. | NS(=O)(=O)NCCCO | |
What is the building block token for the following molecule? | NS(=O)(=O)NCCCO | <BB_2938> |
What is the molecular formula for <BB_2938>? | The molecular formula for <BB_2938> (NS(=O)(=O)NCCCO) is C3H10N2O3S. | |
Describe the ring structures in building block <BB_2938>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2938>. | The molecule contains the following groups: Amine, Secondary Amine, Alcohol, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2938>. | **Token:** <BB_2938>
**SMILES:** NS(=O)(=O)NCCCO
**Molecular Formula:** C3H10N2O3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Alcohol, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2939>. | BrCC1COCOC1 | |
What is the building block token for the following molecule? | BrCC1COCOC1 | <BB_2939> |
What is the molecular formula for <BB_2939>? | The molecular formula for <BB_2939> (BrCC1COCOC1) is C5H9BrO2. | |
Describe the ring structures in building block <BB_2939>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2939>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2939>. | **Token:** <BB_2939>
**SMILES:** BrCC1COCOC1
**Molecular Formula:** C5H9BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2940>. | Cc1cc(Cl)n2ncc(C#N)c2n1 | |
What is the building block token for the following molecule? | Cc1cc(Cl)n2ncc(C#N)c2n1 | <BB_2940> |
What is the molecular formula for <BB_2940>? | The molecular formula for <BB_2940> (Cc1cc(Cl)n2ncc(C#N)c2n1) is C8H5ClN4. | |
Describe the ring structures in building block <BB_2940>. | 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_2940>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2940>. | **Token:** <BB_2940>
**SMILES:** Cc1cc(Cl)n2ncc(C#N)c2n1
**Molecular Formula:** C8H5ClN4
**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), Nitrile | |
Provide the SMILES representation for the building block token <BB_2941>. | CC1(C)OB(c2ccc3nsnc3c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccc3nsnc3c2)OC1(C)C | <BB_2941> |
What is the molecular formula for <BB_2941>? | The molecular formula for <BB_2941> (CC1(C)OB(c2ccc3nsnc3c2)OC1(C)C) is C12H15BN2O2S. | |
Describe the ring structures in building block <BB_2941>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2941>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2941>. | **Token:** <BB_2941>
**SMILES:** CC1(C)OB(c2ccc3nsnc3c2)OC1(C)C
**Molecular Formula:** C12H15BN2O2S
**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 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2942>. | CC(C)CC(=O)NCCC(=O)O | |
What is the building block token for the following molecule? | CC(C)CC(=O)NCCC(=O)O | <BB_2942> |
What is the molecular formula for <BB_2942>? | The molecular formula for <BB_2942> (CC(C)CC(=O)NCCC(=O)O) is C8H15NO3. | |
Describe the ring structures in building block <BB_2942>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2942>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2942>. | **Token:** <BB_2942>
**SMILES:** CC(C)CC(=O)NCCC(=O)O
**Molecular Formula:** C8H15NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2943>. | CC(C)(C)OCCON.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OCCON.Cl | <BB_2943> |
What is the molecular formula for <BB_2943>? | The molecular formula for <BB_2943> (CC(C)(C)OCCON.Cl) is C6H16ClNO2. | |
Describe the ring structures in building block <BB_2943>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2943>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2943>. | **Token:** <BB_2943>
**SMILES:** CC(C)(C)OCCON.Cl
**Molecular Formula:** C6H16ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2944>. | CC(C)(C)OC(=O)NC(CCSC(F)(F)F)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CCSC(F)(F)F)C(=O)O | <BB_2944> |
What is the molecular formula for <BB_2944>? | The molecular formula for <BB_2944> (CC(C)(C)OC(=O)NC(CCSC(F)(F)F)C(=O)O) is C10H16F3NO4S. | |
Describe the ring structures in building block <BB_2944>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2944>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2944>. | **Token:** <BB_2944>
**SMILES:** CC(C)(C)OC(=O)NC(CCSC(F)(F)F)C(=O)O
**Molecular Formula:** C10H16F3NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2945>. | Cc1coc2c(CC#N)cccc12 | |
What is the building block token for the following molecule? | Cc1coc2c(CC#N)cccc12 | <BB_2945> |
What is the molecular formula for <BB_2945>? | The molecular formula for <BB_2945> (Cc1coc2c(CC#N)cccc12) is C11H9NO. | |
Describe the ring structures in building block <BB_2945>. | 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_2945>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2945>. | **Token:** <BB_2945>
**SMILES:** Cc1coc2c(CC#N)cccc12
**Molecular Formula:** C11H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2946>. | COC(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F | |
What is the building block token for the following molecule? | COC(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F | <BB_2946> |
What is the molecular formula for <BB_2946>? | The molecular formula for <BB_2946> (COC(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F) is C8H5ClF2O4S. | |
Describe the ring structures in building block <BB_2946>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2946>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2946>. | **Token:** <BB_2946>
**SMILES:** COC(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F
**Molecular Formula:** C8H5ClF2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2947>. | CC1(C)OCC(CCC(=O)O)O1 | |
What is the building block token for the following molecule? | CC1(C)OCC(CCC(=O)O)O1 | <BB_2947> |
What is the molecular formula for <BB_2947>? | The molecular formula for <BB_2947> (CC1(C)OCC(CCC(=O)O)O1) is C8H14O4. | |
Describe the ring structures in building block <BB_2947>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2947>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2947>. | **Token:** <BB_2947>
**SMILES:** CC1(C)OCC(CCC(=O)O)O1
**Molecular Formula:** C8H14O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2948>. | CNC(c1ccc(Cl)cc1)c1nccn1C | |
What is the building block token for the following molecule? | CNC(c1ccc(Cl)cc1)c1nccn1C | <BB_2948> |
What is the molecular formula for <BB_2948>? | The molecular formula for <BB_2948> (CNC(c1ccc(Cl)cc1)c1nccn1C) is C12H14ClN3. | |
Describe the ring structures in building block <BB_2948>. | 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_2948>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2948>. | **Token:** <BB_2948>
**SMILES:** CNC(c1ccc(Cl)cc1)c1nccn1C
**Molecular Formula:** C12H14ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2949>. | Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 | |
What is the building block token for the following molecule? | Cc1ccc([N+](=O)[O-])c(OC(F)F)c1 | <BB_2949> |
What is the molecular formula for <BB_2949>? | The molecular formula for <BB_2949> (Cc1ccc([N+](=O)[O-])c(OC(F)F)c1) is C8H7F2NO3. | |
Describe the ring structures in building block <BB_2949>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2949>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2949>. | **Token:** <BB_2949>
**SMILES:** Cc1ccc([N+](=O)[O-])c(OC(F)F)c1
**Molecular Formula:** C8H7F2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro |
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