instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_516>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_516>. | **Token:** <BB_516>
**SMILES:** O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F
**Molecular Formula:** C7H7F3N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_517>. | COCn1ncc(Br)n1 | |
What is the building block token for the following molecule? | COCn1ncc(Br)n1 | <BB_517> |
What is the molecular formula for <BB_517>? | The molecular formula for <BB_517> (COCn1ncc(Br)n1) is C4H6BrN3O. | |
Describe the ring structures in building block <BB_517>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_517>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_517>. | **Token:** <BB_517>
**SMILES:** COCn1ncc(Br)n1
**Molecular Formula:** C4H6BrN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_518>. | O=C(O)CCCc1cc(Cl)sc1Cl | |
What is the building block token for the following molecule? | O=C(O)CCCc1cc(Cl)sc1Cl | <BB_518> |
What is the molecular formula for <BB_518>? | The molecular formula for <BB_518> (O=C(O)CCCc1cc(Cl)sc1Cl) is C8H8Cl2O2S. | |
Describe the ring structures in building block <BB_518>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_518>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_518>. | **Token:** <BB_518>
**SMILES:** O=C(O)CCCc1cc(Cl)sc1Cl
**Molecular Formula:** C8H8Cl2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_519>. | CCC(C)(N)CO | |
What is the building block token for the following molecule? | CCC(C)(N)CO | <BB_519> |
What is the molecular formula for <BB_519>? | The molecular formula for <BB_519> (CCC(C)(N)CO) is C5H13NO. | |
Describe the ring structures in building block <BB_519>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_519>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_519>. | **Token:** <BB_519>
**SMILES:** CCC(C)(N)CO
**Molecular Formula:** C5H13NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_520>. | Nc1ccccc1Nc1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Nc1ccccc1Nc1cccc(C(F)(F)F)c1 | <BB_520> |
What is the molecular formula for <BB_520>? | The molecular formula for <BB_520> (Nc1ccccc1Nc1cccc(C(F)(F)F)c1) is C13H11F3N2. | |
Describe the ring structures in building block <BB_520>. | 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_520>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_520>. | **Token:** <BB_520>
**SMILES:** Nc1ccccc1Nc1cccc(C(F)(F)F)c1
**Molecular Formula:** C13H11F3N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_521>. | C=CCCc1cccnc1N | |
What is the building block token for the following molecule? | C=CCCc1cccnc1N | <BB_521> |
What is the molecular formula for <BB_521>? | The molecular formula for <BB_521> (C=CCCc1cccnc1N) is C9H12N2. | |
Describe the ring structures in building block <BB_521>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_521>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_521>. | **Token:** <BB_521>
**SMILES:** C=CCCc1cccnc1N
**Molecular Formula:** C9H12N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_522>. | O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1 | <BB_522> |
What is the molecular formula for <BB_522>? | The molecular formula for <BB_522> (O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1) is C13H15FN2O3. | |
Describe the ring structures in building block <BB_522>. | 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_522>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_522>. | **Token:** <BB_522>
**SMILES:** O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1
**Molecular Formula:** C13H15FN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_523>. | COCC(=O)C1(C(=O)OC)CC1 | |
What is the building block token for the following molecule? | COCC(=O)C1(C(=O)OC)CC1 | <BB_523> |
What is the molecular formula for <BB_523>? | The molecular formula for <BB_523> (COCC(=O)C1(C(=O)OC)CC1) is C8H12O4. | |
Describe the ring structures in building block <BB_523>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_523>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_523>. | **Token:** <BB_523>
**SMILES:** COCC(=O)C1(C(=O)OC)CC1
**Molecular Formula:** C8H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_524>. | [N-]=[N+]=Nc1ccc(C(F)(F)F)cn1 | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccc(C(F)(F)F)cn1 | <BB_524> |
What is the molecular formula for <BB_524>? | The molecular formula for <BB_524> ([N-]=[N+]=Nc1ccc(C(F)(F)F)cn1) is C6H3F3N4. | |
Describe the ring structures in building block <BB_524>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_524>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_524>. | **Token:** <BB_524>
**SMILES:** [N-]=[N+]=Nc1ccc(C(F)(F)F)cn1
**Molecular Formula:** C6H3F3N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_525>. | O=C1N[C@@H]2CC[C@H]1C2 | |
What is the building block token for the following molecule? | O=C1N[C@@H]2CC[C@H]1C2 | <BB_525> |
What is the molecular formula for <BB_525>? | The molecular formula for <BB_525> (O=C1N[C@@H]2CC[C@H]1C2) is C6H9NO. | |
Describe the ring structures in building block <BB_525>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_525>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_525>. | **Token:** <BB_525>
**SMILES:** O=C1N[C@@H]2CC[C@H]1C2
**Molecular Formula:** C6H9NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_526>. | CNC1CCN(CC(F)(F)F)CC1 | |
What is the building block token for the following molecule? | CNC1CCN(CC(F)(F)F)CC1 | <BB_526> |
What is the molecular formula for <BB_526>? | The molecular formula for <BB_526> (CNC1CCN(CC(F)(F)F)CC1) is C8H15F3N2. | |
Describe the ring structures in building block <BB_526>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_526>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_526>. | **Token:** <BB_526>
**SMILES:** CNC1CCN(CC(F)(F)F)CC1
**Molecular Formula:** C8H15F3N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_527>. | OC[C@H]1C[C@H](F)C1 | |
What is the building block token for the following molecule? | OC[C@H]1C[C@H](F)C1 | <BB_527> |
What is the molecular formula for <BB_527>? | The molecular formula for <BB_527> (OC[C@H]1C[C@H](F)C1) is C5H9FO. | |
Describe the ring structures in building block <BB_527>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_527>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_527>. | **Token:** <BB_527>
**SMILES:** OC[C@H]1C[C@H](F)C1
**Molecular Formula:** C5H9FO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_528>. | Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1 | <BB_528> |
What is the molecular formula for <BB_528>? | The molecular formula for <BB_528> (Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1) is C14H16Cl2N2O. | |
Describe the ring structures in building block <BB_528>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_528>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_528>. | **Token:** <BB_528>
**SMILES:** Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1
**Molecular Formula:** C14H16Cl2N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, 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_529>. | N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1 | |
What is the building block token for the following molecule? | N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1 | <BB_529> |
What is the molecular formula for <BB_529>? | The molecular formula for <BB_529> (N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1) is C6H8F3NO2. | |
Describe the ring structures in building block <BB_529>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_529>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_529>. | **Token:** <BB_529>
**SMILES:** N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1
**Molecular Formula:** C6H8F3NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_530>. | Cc1cccc(-c2ccc(C(N)=O)cc2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(-c2ccc(C(N)=O)cc2)c1 | <BB_530> |
What is the molecular formula for <BB_530>? | The molecular formula for <BB_530> (Cc1cccc(-c2ccc(C(N)=O)cc2)c1) is C14H13NO. | |
Describe the ring structures in building block <BB_530>. | 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_530>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_530>. | **Token:** <BB_530>
**SMILES:** Cc1cccc(-c2ccc(C(N)=O)cc2)c1
**Molecular Formula:** C14H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_531>. | CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21 | <BB_531> |
What is the molecular formula for <BB_531>? | The molecular formula for <BB_531> (CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21) is C14H19NO3. | |
Describe the ring structures in building block <BB_531>. | 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_531>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_531>. | **Token:** <BB_531>
**SMILES:** CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21
**Molecular Formula:** C14H19NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_532>. | Cc1nc(N)n(Cc2ccc(F)cc2)n1 | |
What is the building block token for the following molecule? | Cc1nc(N)n(Cc2ccc(F)cc2)n1 | <BB_532> |
What is the molecular formula for <BB_532>? | The molecular formula for <BB_532> (Cc1nc(N)n(Cc2ccc(F)cc2)n1) is C10H11FN4. | |
Describe the ring structures in building block <BB_532>. | 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_532>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_532>. | **Token:** <BB_532>
**SMILES:** Cc1nc(N)n(Cc2ccc(F)cc2)n1
**Molecular Formula:** C10H11FN4
**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_533>. | CCc1ccccc1[C@@H]1C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CCc1ccccc1[C@@H]1C[C@H]1C(=O)O | <BB_533> |
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