instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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What is the molecular formula for <BB_833>? | The molecular formula for <BB_833> (Nc1ccc2c(c1)C(=O)OC2) is C8H7NO2. | |
Describe the ring structures in building block <BB_833>. | 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_833>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_833>. | **Token:** <BB_833>
**SMILES:** Nc1ccc2c(c1)C(=O)OC2
**Molecular Formula:** C8H7NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_834>. | Clc1ccc(OCCCBr)cc1 | |
What is the building block token for the following molecule? | Clc1ccc(OCCCBr)cc1 | <BB_834> |
What is the molecular formula for <BB_834>? | The molecular formula for <BB_834> (Clc1ccc(OCCCBr)cc1) is C9H10BrClO. | |
Describe the ring structures in building block <BB_834>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_834>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_834>. | **Token:** <BB_834>
**SMILES:** Clc1ccc(OCCCBr)cc1
**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_835>. | NC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1 | |
What is the building block token for the following molecule? | NC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1 | <BB_835> |
What is the molecular formula for <BB_835>? | The molecular formula for <BB_835> (NC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1) is C10H9BrF3NO. | |
Describe the ring structures in building block <BB_835>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_835>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_835>. | **Token:** <BB_835>
**SMILES:** NC(=O)C(Br)Cc1ccc(C(F)(F)F)cc1
**Molecular Formula:** C10H9BrF3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_836>. | O[C@H]1CCCOc2ccccc21 | |
What is the building block token for the following molecule? | O[C@H]1CCCOc2ccccc21 | <BB_836> |
What is the molecular formula for <BB_836>? | The molecular formula for <BB_836> (O[C@H]1CCCOc2ccccc21) is C10H12O2. | |
Describe the ring structures in building block <BB_836>. | 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_836>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_836>. | **Token:** <BB_836>
**SMILES:** O[C@H]1CCCOc2ccccc21
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_837>. | FC(F)(F)c1ccc(C2CO2)cc1 | |
What is the building block token for the following molecule? | FC(F)(F)c1ccc(C2CO2)cc1 | <BB_837> |
What is the molecular formula for <BB_837>? | The molecular formula for <BB_837> (FC(F)(F)c1ccc(C2CO2)cc1) is C9H7F3O. | |
Describe the ring structures in building block <BB_837>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_837>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_837>. | **Token:** <BB_837>
**SMILES:** FC(F)(F)c1ccc(C2CO2)cc1
**Molecular Formula:** C9H7F3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_838>. | O=C(O)CC1(O)CCCOC1 | |
What is the building block token for the following molecule? | O=C(O)CC1(O)CCCOC1 | <BB_838> |
What is the molecular formula for <BB_838>? | The molecular formula for <BB_838> (O=C(O)CC1(O)CCCOC1) is C7H12O4. | |
Describe the ring structures in building block <BB_838>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_838>. | The molecule contains the following groups: Carboxylic Acid, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_838>. | **Token:** <BB_838>
**SMILES:** O=C(O)CC1(O)CCCOC1
**Molecular Formula:** C7H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_839>. | CCSCCl | |
What is the building block token for the following molecule? | CCSCCl | <BB_839> |
What is the molecular formula for <BB_839>? | The molecular formula for <BB_839> (CCSCCl) is C3H7ClS. | |
Describe the ring structures in building block <BB_839>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_839>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_839>. | **Token:** <BB_839>
**SMILES:** CCSCCl
**Molecular Formula:** C3H7ClS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_840>. | O=c1c2ccccc2ncn1CCBr | |
What is the building block token for the following molecule? | O=c1c2ccccc2ncn1CCBr | <BB_840> |
What is the molecular formula for <BB_840>? | The molecular formula for <BB_840> (O=c1c2ccccc2ncn1CCBr) is C10H9BrN2O. | |
Describe the ring structures in building block <BB_840>. | 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_840>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_840>. | **Token:** <BB_840>
**SMILES:** O=c1c2ccccc2ncn1CCBr
**Molecular Formula:** C10H9BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_841>. | Cl.O=C(O)C1CCNc2ccc(Br)cc21 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CCNc2ccc(Br)cc21 | <BB_841> |
What is the molecular formula for <BB_841>? | The molecular formula for <BB_841> (Cl.O=C(O)C1CCNc2ccc(Br)cc21) is C10H11BrClNO2. | |
Describe the ring structures in building block <BB_841>. | 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_841>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_841>. | **Token:** <BB_841>
**SMILES:** Cl.O=C(O)C1CCNc2ccc(Br)cc21
**Molecular Formula:** C10H11BrClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_842>. | Cl.NCCc1c(Br)cccc1Br | |
What is the building block token for the following molecule? | Cl.NCCc1c(Br)cccc1Br | <BB_842> |
What is the molecular formula for <BB_842>? | The molecular formula for <BB_842> (Cl.NCCc1c(Br)cccc1Br) is C8H10Br2ClN. | |
Describe the ring structures in building block <BB_842>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_842>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_842>. | **Token:** <BB_842>
**SMILES:** Cl.NCCc1c(Br)cccc1Br
**Molecular Formula:** C8H10Br2ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_843>. | O=C(O)c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(Cl)c1 | <BB_843> |
What is the molecular formula for <BB_843>? | The molecular formula for <BB_843> (O=C(O)c1cccc(Cl)c1) is C7H5ClO2. | |
Describe the ring structures in building block <BB_843>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_843>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_843>. | **Token:** <BB_843>
**SMILES:** O=C(O)c1cccc(Cl)c1
**Molecular Formula:** C7H5ClO2
**Ring System:** The molecule contains 1 ring(s): 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_844>. | FC(F)c1nnc2c(Cl)nccn12 | |
What is the building block token for the following molecule? | FC(F)c1nnc2c(Cl)nccn12 | <BB_844> |
What is the molecular formula for <BB_844>? | The molecular formula for <BB_844> (FC(F)c1nnc2c(Cl)nccn12) is C6H3ClF2N4. | |
Describe the ring structures in building block <BB_844>. | 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_844>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_844>. | **Token:** <BB_844>
**SMILES:** FC(F)c1nnc2c(Cl)nccn12
**Molecular Formula:** C6H3ClF2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_845>. | CN(C)CCn1cc(Br)cn1.Cl.Cl | |
What is the building block token for the following molecule? | CN(C)CCn1cc(Br)cn1.Cl.Cl | <BB_845> |
What is the molecular formula for <BB_845>? | The molecular formula for <BB_845> (CN(C)CCn1cc(Br)cn1.Cl.Cl) is C7H14BrCl2N3. | |
Describe the ring structures in building block <BB_845>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_845>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_845>. | **Token:** <BB_845>
**SMILES:** CN(C)CCn1cc(Br)cn1.Cl.Cl
**Molecular Formula:** C7H14BrCl2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_846>. | CCc1ccccc1N=C=S | |
What is the building block token for the following molecule? | CCc1ccccc1N=C=S | <BB_846> |
What is the molecular formula for <BB_846>? | The molecular formula for <BB_846> (CCc1ccccc1N=C=S) is C9H9NS. | |
Describe the ring structures in building block <BB_846>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_846>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_846>. | **Token:** <BB_846>
**SMILES:** CCc1ccccc1N=C=S
**Molecular Formula:** C9H9NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_847>. | CC1CNCC(c2ccccc2)O1 | |
What is the building block token for the following molecule? | CC1CNCC(c2ccccc2)O1 | <BB_847> |
What is the molecular formula for <BB_847>? | The molecular formula for <BB_847> (CC1CNCC(c2ccccc2)O1) is C11H15NO. | |
Describe the ring structures in building block <BB_847>. | 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_847>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_847>. | **Token:** <BB_847>
**SMILES:** CC1CNCC(c2ccccc2)O1
**Molecular Formula:** C11H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_848>. | COc1c(C)cc(Cl)cc1C(=O)O | |
What is the building block token for the following molecule? | COc1c(C)cc(Cl)cc1C(=O)O | <BB_848> |
What is the molecular formula for <BB_848>? | The molecular formula for <BB_848> (COc1c(C)cc(Cl)cc1C(=O)O) is C9H9ClO3. | |
Describe the ring structures in building block <BB_848>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_848>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_848>. | **Token:** <BB_848>
**SMILES:** COc1c(C)cc(Cl)cc1C(=O)O
**Molecular Formula:** C9H9ClO3
**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_849>. | Cc1ccc(S(=O)(=O)O)cc1.FC1(F)[C@@H]2NCC[C@@H]21 | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)O)cc1.FC1(F)[C@@H]2NCC[C@@H]21 | <BB_849> |
What is the molecular formula for <BB_849>? | The molecular formula for <BB_849> (Cc1ccc(S(=O)(=O)O)cc1.FC1(F)[C@@H]2NCC[C@@H]21) is C12H15F2NO3S. | |
Describe the ring structures in building block <BB_849>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_849>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_849>. | **Token:** <BB_849>
**SMILES:** Cc1ccc(S(=O)(=O)O)cc1.FC1(F)[C@@H]2NCC[C@@H]21
**Molecular Formula:** C12H15F2NO3S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) |
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