instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9350>. | CCOC(C#CC(C)N)OCC | |
What is the building block token for the following molecule? | CCOC(C#CC(C)N)OCC | <BB_9350> |
What is the molecular formula for <BB_9350>? | The molecular formula for <BB_9350> (CCOC(C#CC(C)N)OCC) is C9H17NO2. | |
Describe the ring structures in building block <BB_9350>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9350>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9350>. | **Token:** <BB_9350>
**SMILES:** CCOC(C#CC(C)N)OCC
**Molecular Formula:** C9H17NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9351>. | ClCc1cnco1 | |
What is the building block token for the following molecule? | ClCc1cnco1 | <BB_9351> |
What is the molecular formula for <BB_9351>? | The molecular formula for <BB_9351> (ClCc1cnco1) is C4H4ClNO. | |
Describe the ring structures in building block <BB_9351>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9351>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9351>. | **Token:** <BB_9351>
**SMILES:** ClCc1cnco1
**Molecular Formula:** C4H4ClNO
**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_9352>. | COc1cccc(Cl)c1C(C)Br | |
What is the building block token for the following molecule? | COc1cccc(Cl)c1C(C)Br | <BB_9352> |
What is the molecular formula for <BB_9352>? | The molecular formula for <BB_9352> (COc1cccc(Cl)c1C(C)Br) is C9H10BrClO. | |
Describe the ring structures in building block <BB_9352>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9352>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9352>. | **Token:** <BB_9352>
**SMILES:** COc1cccc(Cl)c1C(C)Br
**Molecular Formula:** C9H10BrClO
**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_9353>. | O=C(O)CCn1sc2ccccc2c1=O | |
What is the building block token for the following molecule? | O=C(O)CCn1sc2ccccc2c1=O | <BB_9353> |
What is the molecular formula for <BB_9353>? | The molecular formula for <BB_9353> (O=C(O)CCn1sc2ccccc2c1=O) is C10H9NO3S. | |
Describe the ring structures in building block <BB_9353>. | 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_9353>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9353>. | **Token:** <BB_9353>
**SMILES:** O=C(O)CCn1sc2ccccc2c1=O
**Molecular Formula:** C10H9NO3S
**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_9354>. | N#Cc1cccc(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | N#Cc1cccc(C(F)(F)F)n1 | <BB_9354> |
What is the molecular formula for <BB_9354>? | The molecular formula for <BB_9354> (N#Cc1cccc(C(F)(F)F)n1) is C7H3F3N2. | |
Describe the ring structures in building block <BB_9354>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9354>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9354>. | **Token:** <BB_9354>
**SMILES:** N#Cc1cccc(C(F)(F)F)n1
**Molecular Formula:** C7H3F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9355>. | CC(C)(CN)c1ncc[nH]1.Cl.Cl | |
What is the building block token for the following molecule? | CC(C)(CN)c1ncc[nH]1.Cl.Cl | <BB_9355> |
What is the molecular formula for <BB_9355>? | The molecular formula for <BB_9355> (CC(C)(CN)c1ncc[nH]1.Cl.Cl) is C7H15Cl2N3. | |
Describe the ring structures in building block <BB_9355>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9355>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9355>. | **Token:** <BB_9355>
**SMILES:** CC(C)(CN)c1ncc[nH]1.Cl.Cl
**Molecular Formula:** C7H15Cl2N3
**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_9356>. | O=C(O)COCc1nc[nH]n1 | |
What is the building block token for the following molecule? | O=C(O)COCc1nc[nH]n1 | <BB_9356> |
What is the molecular formula for <BB_9356>? | The molecular formula for <BB_9356> (O=C(O)COCc1nc[nH]n1) is C5H7N3O3. | |
Describe the ring structures in building block <BB_9356>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9356>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9356>. | **Token:** <BB_9356>
**SMILES:** O=C(O)COCc1nc[nH]n1
**Molecular Formula:** C5H7N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9357>. | Cc1nc2c(n1C)CNCC2.Cl | |
What is the building block token for the following molecule? | Cc1nc2c(n1C)CNCC2.Cl | <BB_9357> |
What is the molecular formula for <BB_9357>? | The molecular formula for <BB_9357> (Cc1nc2c(n1C)CNCC2.Cl) is C8H14ClN3. | |
Describe the ring structures in building block <BB_9357>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9357>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9357>. | **Token:** <BB_9357>
**SMILES:** Cc1nc2c(n1C)CNCC2.Cl
**Molecular Formula:** C8H14ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9358>. | CCCC(N)C1CCCC1 | |
What is the building block token for the following molecule? | CCCC(N)C1CCCC1 | <BB_9358> |
What is the molecular formula for <BB_9358>? | The molecular formula for <BB_9358> (CCCC(N)C1CCCC1) is C9H19N. | |
Describe the ring structures in building block <BB_9358>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9358>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9358>. | **Token:** <BB_9358>
**SMILES:** CCCC(N)C1CCCC1
**Molecular Formula:** C9H19N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9359>. | Cc1cnc2nc(N)sc2n1 | |
What is the building block token for the following molecule? | Cc1cnc2nc(N)sc2n1 | <BB_9359> |
What is the molecular formula for <BB_9359>? | The molecular formula for <BB_9359> (Cc1cnc2nc(N)sc2n1) is C6H6N4S. | |
Describe the ring structures in building block <BB_9359>. | 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_9359>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9359>. | **Token:** <BB_9359>
**SMILES:** Cc1cnc2nc(N)sc2n1
**Molecular Formula:** C6H6N4S
**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_9360>. | O=S(=O)(Cl)c1cccc2ocnc12 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cccc2ocnc12 | <BB_9360> |
What is the molecular formula for <BB_9360>? | The molecular formula for <BB_9360> (O=S(=O)(Cl)c1cccc2ocnc12) is C7H4ClNO3S. | |
Describe the ring structures in building block <BB_9360>. | 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_9360>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9360>. | **Token:** <BB_9360>
**SMILES:** O=S(=O)(Cl)c1cccc2ocnc12
**Molecular Formula:** C7H4ClNO3S
**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_9361>. | COC1=NCCC(C)C1 | |
What is the building block token for the following molecule? | COC1=NCCC(C)C1 | <BB_9361> |
What is the molecular formula for <BB_9361>? | The molecular formula for <BB_9361> (COC1=NCCC(C)C1) is C7H13NO. | |
Describe the ring structures in building block <BB_9361>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9361>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9361>. | **Token:** <BB_9361>
**SMILES:** COC1=NCCC(C)C1
**Molecular Formula:** C7H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9362>. | O=C(O)c1cc2c(c([N+](=O)[O-])c1)OCO2 | |
What is the building block token for the following molecule? | O=C(O)c1cc2c(c([N+](=O)[O-])c1)OCO2 | <BB_9362> |
What is the molecular formula for <BB_9362>? | The molecular formula for <BB_9362> (O=C(O)c1cc2c(c([N+](=O)[O-])c1)OCO2) is C8H5NO6. | |
Describe the ring structures in building block <BB_9362>. | 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_9362>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9362>. | **Token:** <BB_9362>
**SMILES:** O=C(O)c1cc2c(c([N+](=O)[O-])c1)OCO2
**Molecular Formula:** C8H5NO6
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_9363>. | O=S(=O)(F)c1ccc2[nH]cnc2c1 | |
What is the building block token for the following molecule? | O=S(=O)(F)c1ccc2[nH]cnc2c1 | <BB_9363> |
What is the molecular formula for <BB_9363>? | The molecular formula for <BB_9363> (O=S(=O)(F)c1ccc2[nH]cnc2c1) is C7H5FN2O2S. | |
Describe the ring structures in building block <BB_9363>. | 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_9363>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9363>. | **Token:** <BB_9363>
**SMILES:** O=S(=O)(F)c1ccc2[nH]cnc2c1
**Molecular Formula:** C7H5FN2O2S
**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_9364>. | O=C(O)C1CC2(CSC2)C1 | |
What is the building block token for the following molecule? | O=C(O)C1CC2(CSC2)C1 | <BB_9364> |
What is the molecular formula for <BB_9364>? | The molecular formula for <BB_9364> (O=C(O)C1CC2(CSC2)C1) is C7H10O2S. | |
Describe the ring structures in building block <BB_9364>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9364>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9364>. | **Token:** <BB_9364>
**SMILES:** O=C(O)C1CC2(CSC2)C1
**Molecular Formula:** C7H10O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_9365>. | COc1nsc(C=O)c1Br | |
What is the building block token for the following molecule? | COc1nsc(C=O)c1Br | <BB_9365> |
What is the molecular formula for <BB_9365>? | The molecular formula for <BB_9365> (COc1nsc(C=O)c1Br) is C5H4BrNO2S. | |
Describe the ring structures in building block <BB_9365>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9365>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9365>. | **Token:** <BB_9365>
**SMILES:** COc1nsc(C=O)c1Br
**Molecular Formula:** C5H4BrNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9366>. | COC(=O)C1NCCn2nccc21.Cl.Cl | |
What is the building block token for the following molecule? | COC(=O)C1NCCn2nccc21.Cl.Cl | <BB_9366> |
What is the molecular formula for <BB_9366>? | The molecular formula for <BB_9366> (COC(=O)C1NCCn2nccc21.Cl.Cl) is C8H13Cl2N3O2. | |
Describe the ring structures in building block <BB_9366>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. |
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