instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_800>. | Cc1nc(C)n(C2CC2)c1N.Cl | |
What is the building block token for the following molecule? | Cc1nc(C)n(C2CC2)c1N.Cl | <BB_800> |
What is the molecular formula for <BB_800>? | The molecular formula for <BB_800> (Cc1nc(C)n(C2CC2)c1N.Cl) is C8H14ClN3. | |
Describe the ring structures in building block <BB_800>. | 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_800>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_800>. | **Token:** <BB_800>
**SMILES:** Cc1nc(C)n(C2CC2)c1N.Cl
**Molecular Formula:** C8H14ClN3
**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_801>. | COCc1cc(Br)cc(C(=O)OC)c1 | |
What is the building block token for the following molecule? | COCc1cc(Br)cc(C(=O)OC)c1 | <BB_801> |
What is the molecular formula for <BB_801>? | The molecular formula for <BB_801> (COCc1cc(Br)cc(C(=O)OC)c1) is C10H11BrO3. | |
Describe the ring structures in building block <BB_801>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_801>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_801>. | **Token:** <BB_801>
**SMILES:** COCc1cc(Br)cc(C(=O)OC)c1
**Molecular Formula:** C10H11BrO3
**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_802>. | Cc1cnn(C)c1N.Cl | |
What is the building block token for the following molecule? | Cc1cnn(C)c1N.Cl | <BB_802> |
What is the molecular formula for <BB_802>? | The molecular formula for <BB_802> (Cc1cnn(C)c1N.Cl) is C5H10ClN3. | |
Describe the ring structures in building block <BB_802>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_802>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_802>. | **Token:** <BB_802>
**SMILES:** Cc1cnn(C)c1N.Cl
**Molecular Formula:** C5H10ClN3
**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_803>. | O=C1CCCc2oc(=O)c(C(=O)O)cc21 | |
What is the building block token for the following molecule? | O=C1CCCc2oc(=O)c(C(=O)O)cc21 | <BB_803> |
What is the molecular formula for <BB_803>? | The molecular formula for <BB_803> (O=C1CCCc2oc(=O)c(C(=O)O)cc21) is C10H8O5. | |
Describe the ring structures in building block <BB_803>. | 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_803>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_803>. | **Token:** <BB_803>
**SMILES:** O=C1CCCc2oc(=O)c(C(=O)O)cc21
**Molecular Formula:** C10H8O5
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_804>. | COC(=O)C1(N)CC12CC2.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(N)CC12CC2.Cl | <BB_804> |
What is the molecular formula for <BB_804>? | The molecular formula for <BB_804> (COC(=O)C1(N)CC12CC2.Cl) is C7H12ClNO2. | |
Describe the ring structures in building block <BB_804>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_804>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_804>. | **Token:** <BB_804>
**SMILES:** COC(=O)C1(N)CC12CC2.Cl
**Molecular Formula:** C7H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_805>. | COc1ccnc2c1CCCC2N | |
What is the building block token for the following molecule? | COc1ccnc2c1CCCC2N | <BB_805> |
What is the molecular formula for <BB_805>? | The molecular formula for <BB_805> (COc1ccnc2c1CCCC2N) is C10H14N2O. | |
Describe the ring structures in building block <BB_805>. | 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_805>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_805>. | **Token:** <BB_805>
**SMILES:** COc1ccnc2c1CCCC2N
**Molecular Formula:** C10H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_806>. | Nc1ccc2scnc2c1 | |
What is the building block token for the following molecule? | Nc1ccc2scnc2c1 | <BB_806> |
What is the molecular formula for <BB_806>? | The molecular formula for <BB_806> (Nc1ccc2scnc2c1) is C7H6N2S. | |
Describe the ring structures in building block <BB_806>. | 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_806>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_806>. | **Token:** <BB_806>
**SMILES:** Nc1ccc2scnc2c1
**Molecular Formula:** C7H6N2S
**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_807>. | CC(C)CC(O)C(=O)O | |
What is the building block token for the following molecule? | CC(C)CC(O)C(=O)O | <BB_807> |
What is the molecular formula for <BB_807>? | The molecular formula for <BB_807> (CC(C)CC(O)C(=O)O) is C6H12O3. | |
Describe the ring structures in building block <BB_807>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_807>. | The molecule contains the following groups: Carboxylic Acid, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_807>. | **Token:** <BB_807>
**SMILES:** CC(C)CC(O)C(=O)O
**Molecular Formula:** C6H12O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Alcohol | |
Provide the SMILES representation for the building block token <BB_808>. | CCOC(=O)C(C)(C(=O)OCC)C1CCC(=O)N1 | |
What is the building block token for the following molecule? | CCOC(=O)C(C)(C(=O)OCC)C1CCC(=O)N1 | <BB_808> |
What is the molecular formula for <BB_808>? | The molecular formula for <BB_808> (CCOC(=O)C(C)(C(=O)OCC)C1CCC(=O)N1) is C12H19NO5. | |
Describe the ring structures in building block <BB_808>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_808>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_808>. | **Token:** <BB_808>
**SMILES:** CCOC(=O)C(C)(C(=O)OCC)C1CCC(=O)N1
**Molecular Formula:** C12H19NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_809>. | O=Cc1cccnc1F | |
What is the building block token for the following molecule? | O=Cc1cccnc1F | <BB_809> |
What is the molecular formula for <BB_809>? | The molecular formula for <BB_809> (O=Cc1cccnc1F) is C6H4FNO. | |
Describe the ring structures in building block <BB_809>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_809>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_809>. | **Token:** <BB_809>
**SMILES:** O=Cc1cccnc1F
**Molecular Formula:** C6H4FNO
**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_810>. | Nc1nccc(N2CCOCC2)c1N | |
What is the building block token for the following molecule? | Nc1nccc(N2CCOCC2)c1N | <BB_810> |
What is the molecular formula for <BB_810>? | The molecular formula for <BB_810> (Nc1nccc(N2CCOCC2)c1N) is C9H14N4O. | |
Describe the ring structures in building block <BB_810>. | 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_810>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_810>. | **Token:** <BB_810>
**SMILES:** Nc1nccc(N2CCOCC2)c1N
**Molecular Formula:** C9H14N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_811>. | CC(C)(C)OC(=O)N1CCN[C@H]2CCC[C@]2(C)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN[C@H]2CCC[C@]2(C)C1 | <BB_811> |
What is the molecular formula for <BB_811>? | The molecular formula for <BB_811> (CC(C)(C)OC(=O)N1CCN[C@H]2CCC[C@]2(C)C1) is C14H26N2O2. | |
Describe the ring structures in building block <BB_811>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_811>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_811>. | **Token:** <BB_811>
**SMILES:** CC(C)(C)OC(=O)N1CCN[C@H]2CCC[C@]2(C)C1
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_812>. | Brc1cccc(C2CCCOC2)c1 | |
What is the building block token for the following molecule? | Brc1cccc(C2CCCOC2)c1 | <BB_812> |
What is the molecular formula for <BB_812>? | The molecular formula for <BB_812> (Brc1cccc(C2CCCOC2)c1) is C11H13BrO. | |
Describe the ring structures in building block <BB_812>. | 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_812>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_812>. | **Token:** <BB_812>
**SMILES:** Brc1cccc(C2CCCOC2)c1
**Molecular Formula:** C11H13BrO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_813>. | COCC1CN(C(=O)OC(C)(C)C)CCC1O | |
What is the building block token for the following molecule? | COCC1CN(C(=O)OC(C)(C)C)CCC1O | <BB_813> |
What is the molecular formula for <BB_813>? | The molecular formula for <BB_813> (COCC1CN(C(=O)OC(C)(C)C)CCC1O) is C12H23NO4. | |
Describe the ring structures in building block <BB_813>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_813>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_813>. | **Token:** <BB_813>
**SMILES:** COCC1CN(C(=O)OC(C)(C)C)CCC1O
**Molecular Formula:** C12H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_814>. | COc1ccc(C(F)(F)C(=O)O)cn1 | |
What is the building block token for the following molecule? | COc1ccc(C(F)(F)C(=O)O)cn1 | <BB_814> |
What is the molecular formula for <BB_814>? | The molecular formula for <BB_814> (COc1ccc(C(F)(F)C(=O)O)cn1) is C8H7F2NO3. | |
Describe the ring structures in building block <BB_814>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_814>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_814>. | **Token:** <BB_814>
**SMILES:** COc1ccc(C(F)(F)C(=O)O)cn1
**Molecular Formula:** C8H7F2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_815>. | Cl.Cl.NCc1nnc2c(Br)cccn12 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1nnc2c(Br)cccn12 | <BB_815> |
What is the molecular formula for <BB_815>? | The molecular formula for <BB_815> (Cl.Cl.NCc1nnc2c(Br)cccn12) is C7H9BrCl2N4. | |
Describe the ring structures in building block <BB_815>. | 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_815>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_815>. | **Token:** <BB_815>
**SMILES:** Cl.Cl.NCc1nnc2c(Br)cccn12
**Molecular Formula:** C7H9BrCl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_816>. | COC(=O)c1ccc(C(=O)CCl)o1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(C(=O)CCl)o1 | <BB_816> |
What is the molecular formula for <BB_816>? | The molecular formula for <BB_816> (COC(=O)c1ccc(C(=O)CCl)o1) is C8H7ClO4. | |
Describe the ring structures in building block <BB_816>. | The molecule contains 1 ring(s): an aromatic ring of size 5. |
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