instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9133>? | The molecular formula for <BB_9133> (Cn1ncc(C#N)c1S(N)(=O)=O) is C5H6N4O2S. | |
Describe the ring structures in building block <BB_9133>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9133>. | The molecule contains the following groups: Amine, Nitrile, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9133>. | **Token:** <BB_9133>
**SMILES:** Cn1ncc(C#N)c1S(N)(=O)=O
**Molecular Formula:** C5H6N4O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Nitrile, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9134>. | Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 | <BB_9134> |
What is the molecular formula for <BB_9134>? | The molecular formula for <BB_9134> (Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1) is C12H10ClN3O. | |
Describe the ring structures in building block <BB_9134>. | 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_9134>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9134>. | **Token:** <BB_9134>
**SMILES:** Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1
**Molecular Formula:** C12H10ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9135>. | COC(=O)C12CC(C(=O)O)(C1)C2F | |
What is the building block token for the following molecule? | COC(=O)C12CC(C(=O)O)(C1)C2F | <BB_9135> |
What is the molecular formula for <BB_9135>? | The molecular formula for <BB_9135> (COC(=O)C12CC(C(=O)O)(C1)C2F) is C8H9FO4. | |
Describe the ring structures in building block <BB_9135>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9135>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9135>. | **Token:** <BB_9135>
**SMILES:** COC(=O)C12CC(C(=O)O)(C1)C2F
**Molecular Formula:** C8H9FO4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9136>. | Cc1ccccc1C(N)c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | Cc1ccccc1C(N)c1cccc(Cl)c1 | <BB_9136> |
What is the molecular formula for <BB_9136>? | The molecular formula for <BB_9136> (Cc1ccccc1C(N)c1cccc(Cl)c1) is C14H14ClN. | |
Describe the ring structures in building block <BB_9136>. | 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_9136>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9136>. | **Token:** <BB_9136>
**SMILES:** Cc1ccccc1C(N)c1cccc(Cl)c1
**Molecular Formula:** C14H14ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9137>. | Cl.Cl.N#Cc1ccnc(N2CCCNCC2)c1 | |
What is the building block token for the following molecule? | Cl.Cl.N#Cc1ccnc(N2CCCNCC2)c1 | <BB_9137> |
What is the molecular formula for <BB_9137>? | The molecular formula for <BB_9137> (Cl.Cl.N#Cc1ccnc(N2CCCNCC2)c1) is C11H16Cl2N4. | |
Describe the ring structures in building block <BB_9137>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9137>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9137>. | **Token:** <BB_9137>
**SMILES:** Cl.Cl.N#Cc1ccnc(N2CCCNCC2)c1
**Molecular Formula:** C11H16Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9138>. | CC1(C)OB(c2cncs2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cncs2)OC1(C)C | <BB_9138> |
What is the molecular formula for <BB_9138>? | The molecular formula for <BB_9138> (CC1(C)OB(c2cncs2)OC1(C)C) is C9H14BNO2S. | |
Describe the ring structures in building block <BB_9138>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9138>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9138>. | **Token:** <BB_9138>
**SMILES:** CC1(C)OB(c2cncs2)OC1(C)C
**Molecular Formula:** C9H14BNO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9139>. | COCCS(=O)CCN.Cl | |
What is the building block token for the following molecule? | COCCS(=O)CCN.Cl | <BB_9139> |
What is the molecular formula for <BB_9139>? | The molecular formula for <BB_9139> (COCCS(=O)CCN.Cl) is C5H14ClNO2S. | |
Describe the ring structures in building block <BB_9139>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9139>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9139>. | **Token:** <BB_9139>
**SMILES:** COCCS(=O)CCN.Cl
**Molecular Formula:** C5H14ClNO2S
**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_9140>. | O=C1COc2ccccc2OC1 | |
What is the building block token for the following molecule? | O=C1COc2ccccc2OC1 | <BB_9140> |
What is the molecular formula for <BB_9140>? | The molecular formula for <BB_9140> (O=C1COc2ccccc2OC1) is C9H8O3. | |
Describe the ring structures in building block <BB_9140>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9140>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9140>. | **Token:** <BB_9140>
**SMILES:** O=C1COc2ccccc2OC1
**Molecular Formula:** C9H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9141>. | CC(C)(C)OC(=O)N1CCN(c2nnc(N)o2)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN(c2nnc(N)o2)CC1 | <BB_9141> |
What is the molecular formula for <BB_9141>? | The molecular formula for <BB_9141> (CC(C)(C)OC(=O)N1CCN(c2nnc(N)o2)CC1) is C11H19N5O3. | |
Describe the ring structures in building block <BB_9141>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9141>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9141>. | **Token:** <BB_9141>
**SMILES:** CC(C)(C)OC(=O)N1CCN(c2nnc(N)o2)CC1
**Molecular Formula:** C11H19N5O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9142>. | CC[C@@H](N)CF.Cl | |
What is the building block token for the following molecule? | CC[C@@H](N)CF.Cl | <BB_9142> |
What is the molecular formula for <BB_9142>? | The molecular formula for <BB_9142> (CC[C@@H](N)CF.Cl) is C4H11ClFN. | |
Describe the ring structures in building block <BB_9142>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9142>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9142>. | **Token:** <BB_9142>
**SMILES:** CC[C@@H](N)CF.Cl
**Molecular Formula:** C4H11ClFN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9143>. | O=C(NCc1ccc(F)cc1)Nc1ccccc1 | |
What is the building block token for the following molecule? | O=C(NCc1ccc(F)cc1)Nc1ccccc1 | <BB_9143> |
What is the molecular formula for <BB_9143>? | The molecular formula for <BB_9143> (O=C(NCc1ccc(F)cc1)Nc1ccccc1) is C14H13FN2O. | |
Describe the ring structures in building block <BB_9143>. | 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_9143>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9143>. | **Token:** <BB_9143>
**SMILES:** O=C(NCc1ccc(F)cc1)Nc1ccccc1
**Molecular Formula:** C14H13FN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9144>. | C#CCCN(C)c1ccccc1 | |
What is the building block token for the following molecule? | C#CCCN(C)c1ccccc1 | <BB_9144> |
What is the molecular formula for <BB_9144>? | The molecular formula for <BB_9144> (C#CCCN(C)c1ccccc1) is C11H13N. | |
Describe the ring structures in building block <BB_9144>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9144>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9144>. | **Token:** <BB_9144>
**SMILES:** C#CCCN(C)c1ccccc1
**Molecular Formula:** C11H13N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9145>. | CCOc1n[nH]cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | CCOc1n[nH]cc1[N+](=O)[O-] | <BB_9145> |
What is the molecular formula for <BB_9145>? | The molecular formula for <BB_9145> (CCOc1n[nH]cc1[N+](=O)[O-]) is C5H7N3O3. | |
Describe the ring structures in building block <BB_9145>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9145>. | The molecule contains the following groups: Tertiary Amine, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9145>. | **Token:** <BB_9145>
**SMILES:** CCOc1n[nH]cc1[N+](=O)[O-]
**Molecular Formula:** C5H7N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_9146>. | O=C(O)c1ccn(-c2ccc(F)c(Cl)c2)n1 | |
What is the building block token for the following molecule? | O=C(O)c1ccn(-c2ccc(F)c(Cl)c2)n1 | <BB_9146> |
What is the molecular formula for <BB_9146>? | The molecular formula for <BB_9146> (O=C(O)c1ccn(-c2ccc(F)c(Cl)c2)n1) is C10H6ClFN2O2. | |
Describe the ring structures in building block <BB_9146>. | 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_9146>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9146>. | **Token:** <BB_9146>
**SMILES:** O=C(O)c1ccn(-c2ccc(F)c(Cl)c2)n1
**Molecular Formula:** C10H6ClFN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9147>. | CC(C)C(NCC(F)(F)F)C(N)=O.Cl | |
What is the building block token for the following molecule? | CC(C)C(NCC(F)(F)F)C(N)=O.Cl | <BB_9147> |
What is the molecular formula for <BB_9147>? | The molecular formula for <BB_9147> (CC(C)C(NCC(F)(F)F)C(N)=O.Cl) is C7H14ClF3N2O. | |
Describe the ring structures in building block <BB_9147>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9147>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9147>. | **Token:** <BB_9147>
**SMILES:** CC(C)C(NCC(F)(F)F)C(N)=O.Cl
**Molecular Formula:** C7H14ClF3N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9148>. | CC(C)(C)OC(=O)c1ccccn1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)c1ccccn1 | <BB_9148> |
What is the molecular formula for <BB_9148>? | The molecular formula for <BB_9148> (CC(C)(C)OC(=O)c1ccccn1) is C10H13NO2. | |
Describe the ring structures in building block <BB_9148>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9148>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9148>. | **Token:** <BB_9148>
**SMILES:** CC(C)(C)OC(=O)c1ccccn1
**Molecular Formula:** C10H13NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9149>. | COC(=O)C(O)c1cccc2c1OC(F)(F)O2 | |
What is the building block token for the following molecule? | COC(=O)C(O)c1cccc2c1OC(F)(F)O2 | <BB_9149> |
What is the molecular formula for <BB_9149>? | The molecular formula for <BB_9149> (COC(=O)C(O)c1cccc2c1OC(F)(F)O2) is C10H8F2O5. | |
Describe the ring structures in building block <BB_9149>. | 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_9149>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9149>. | **Token:** <BB_9149>
**SMILES:** COC(=O)C(O)c1cccc2c1OC(F)(F)O2
**Molecular Formula:** C10H8F2O5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) |
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