instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2500>. | CCc1nc(C2(N)CCCC2)no1.Cl | |
What is the building block token for the following molecule? | CCc1nc(C2(N)CCCC2)no1.Cl | <BB_2500> |
What is the molecular formula for <BB_2500>? | The molecular formula for <BB_2500> (CCc1nc(C2(N)CCCC2)no1.Cl) is C9H16ClN3O. | |
Describe the ring structures in building block <BB_2500>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2500>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2500>. | **Token:** <BB_2500>
**SMILES:** CCc1nc(C2(N)CCCC2)no1.Cl
**Molecular Formula:** C9H16ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2501>. | CC(C)c1n[nH]c(C(F)F)n1 | |
What is the building block token for the following molecule? | CC(C)c1n[nH]c(C(F)F)n1 | <BB_2501> |
What is the molecular formula for <BB_2501>? | The molecular formula for <BB_2501> (CC(C)c1n[nH]c(C(F)F)n1) is C6H9F2N3. | |
Describe the ring structures in building block <BB_2501>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2501>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2501>. | **Token:** <BB_2501>
**SMILES:** CC(C)c1n[nH]c(C(F)F)n1
**Molecular Formula:** C6H9F2N3
**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_2502>. | CC(C)(C)OC(=O)NCc1ccc(C#N)s1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCc1ccc(C#N)s1 | <BB_2502> |
What is the molecular formula for <BB_2502>? | The molecular formula for <BB_2502> (CC(C)(C)OC(=O)NCc1ccc(C#N)s1) is C11H14N2O2S. | |
Describe the ring structures in building block <BB_2502>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2502>. | The molecule contains the following groups: Amide, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2502>. | **Token:** <BB_2502>
**SMILES:** CC(C)(C)OC(=O)NCc1ccc(C#N)s1
**Molecular Formula:** C11H14N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2503>. | CCC(CN)N(C)C.Cl.Cl | |
What is the building block token for the following molecule? | CCC(CN)N(C)C.Cl.Cl | <BB_2503> |
What is the molecular formula for <BB_2503>? | The molecular formula for <BB_2503> (CCC(CN)N(C)C.Cl.Cl) is C6H18Cl2N2. | |
Describe the ring structures in building block <BB_2503>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2503>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2503>. | **Token:** <BB_2503>
**SMILES:** CCC(CN)N(C)C.Cl.Cl
**Molecular Formula:** C6H18Cl2N2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2504>. | CNc1ccc2c(c1)OC(F)(F)O2.Cl | |
What is the building block token for the following molecule? | CNc1ccc2c(c1)OC(F)(F)O2.Cl | <BB_2504> |
What is the molecular formula for <BB_2504>? | The molecular formula for <BB_2504> (CNc1ccc2c(c1)OC(F)(F)O2.Cl) is C8H8ClF2NO2. | |
Describe the ring structures in building block <BB_2504>. | 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_2504>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2504>. | **Token:** <BB_2504>
**SMILES:** CNc1ccc2c(c1)OC(F)(F)O2.Cl
**Molecular Formula:** C8H8ClF2NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2505>. | NCc1cc(Br)cc(Cl)c1F | |
What is the building block token for the following molecule? | NCc1cc(Br)cc(Cl)c1F | <BB_2505> |
What is the molecular formula for <BB_2505>? | The molecular formula for <BB_2505> (NCc1cc(Br)cc(Cl)c1F) is C7H6BrClFN. | |
Describe the ring structures in building block <BB_2505>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2505>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2505>. | **Token:** <BB_2505>
**SMILES:** NCc1cc(Br)cc(Cl)c1F
**Molecular Formula:** C7H6BrClFN
**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_2506>. | Cl.Cl.NCC12CCCC(CN1)C2 | |
What is the building block token for the following molecule? | Cl.Cl.NCC12CCCC(CN1)C2 | <BB_2506> |
What is the molecular formula for <BB_2506>? | The molecular formula for <BB_2506> (Cl.Cl.NCC12CCCC(CN1)C2) is C8H18Cl2N2. | |
Describe the ring structures in building block <BB_2506>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2506>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2506>. | **Token:** <BB_2506>
**SMILES:** Cl.Cl.NCC12CCCC(CN1)C2
**Molecular Formula:** C8H18Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2507>. | BrCCCC1CC1 | |
What is the building block token for the following molecule? | BrCCCC1CC1 | <BB_2507> |
What is the molecular formula for <BB_2507>? | The molecular formula for <BB_2507> (BrCCCC1CC1) is C6H11Br. | |
Describe the ring structures in building block <BB_2507>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2507>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2507>. | **Token:** <BB_2507>
**SMILES:** BrCCCC1CC1
**Molecular Formula:** C6H11Br
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2508>. | CC(C)(C)OC(=O)N1C[C@@H](F)CC1C#N | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@@H](F)CC1C#N | <BB_2508> |
What is the molecular formula for <BB_2508>? | The molecular formula for <BB_2508> (CC(C)(C)OC(=O)N1C[C@@H](F)CC1C#N) is C10H15FN2O2. | |
Describe the ring structures in building block <BB_2508>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2508>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2508>. | **Token:** <BB_2508>
**SMILES:** CC(C)(C)OC(=O)N1C[C@@H](F)CC1C#N
**Molecular Formula:** C10H15FN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2509>. | CCC(CNC)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CCC(CNC)NC(=O)OC(C)(C)C | <BB_2509> |
What is the molecular formula for <BB_2509>? | The molecular formula for <BB_2509> (CCC(CNC)NC(=O)OC(C)(C)C) is C10H22N2O2. | |
Describe the ring structures in building block <BB_2509>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2509>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2509>. | **Token:** <BB_2509>
**SMILES:** CCC(CNC)NC(=O)OC(C)(C)C
**Molecular Formula:** C10H22N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2510>. | CCC1(C(=O)O)CCC(F)(F)C1 | |
What is the building block token for the following molecule? | CCC1(C(=O)O)CCC(F)(F)C1 | <BB_2510> |
What is the molecular formula for <BB_2510>? | The molecular formula for <BB_2510> (CCC1(C(=O)O)CCC(F)(F)C1) is C8H12F2O2. | |
Describe the ring structures in building block <BB_2510>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2510>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2510>. | **Token:** <BB_2510>
**SMILES:** CCC1(C(=O)O)CCC(F)(F)C1
**Molecular Formula:** C8H12F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2511>. | O=C(O)c1cnn2c1COCC2 | |
What is the building block token for the following molecule? | O=C(O)c1cnn2c1COCC2 | <BB_2511> |
What is the molecular formula for <BB_2511>? | The molecular formula for <BB_2511> (O=C(O)c1cnn2c1COCC2) is C7H8N2O3. | |
Describe the ring structures in building block <BB_2511>. | 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_2511>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2511>. | **Token:** <BB_2511>
**SMILES:** O=C(O)c1cnn2c1COCC2
**Molecular Formula:** C7H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2512>. | CC(C)CC1OCCCC1N.Cl | |
What is the building block token for the following molecule? | CC(C)CC1OCCCC1N.Cl | <BB_2512> |
What is the molecular formula for <BB_2512>? | The molecular formula for <BB_2512> (CC(C)CC1OCCCC1N.Cl) is C9H20ClNO. | |
Describe the ring structures in building block <BB_2512>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2512>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2512>. | **Token:** <BB_2512>
**SMILES:** CC(C)CC1OCCCC1N.Cl
**Molecular Formula:** C9H20ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2513>. | Nc1cccc(OCC2CC2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(OCC2CC2)c1 | <BB_2513> |
What is the molecular formula for <BB_2513>? | The molecular formula for <BB_2513> (Nc1cccc(OCC2CC2)c1) is C10H13NO. | |
Describe the ring structures in building block <BB_2513>. | 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_2513>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2513>. | **Token:** <BB_2513>
**SMILES:** Nc1cccc(OCC2CC2)c1
**Molecular Formula:** C10H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2514>. | O=C(O)c1ncc(Cl)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | O=C(O)c1ncc(Cl)cc1[N+](=O)[O-] | <BB_2514> |
What is the molecular formula for <BB_2514>? | The molecular formula for <BB_2514> (O=C(O)c1ncc(Cl)cc1[N+](=O)[O-]) is C6H3ClN2O4. | |
Describe the ring structures in building block <BB_2514>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2514>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2514>. | **Token:** <BB_2514>
**SMILES:** O=C(O)c1ncc(Cl)cc1[N+](=O)[O-]
**Molecular Formula:** C6H3ClN2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2515>. | O=C(O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F | <BB_2515> |
What is the molecular formula for <BB_2515>? | The molecular formula for <BB_2515> (O=C(O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F) is C11H10F2O3. | |
Describe the ring structures in building block <BB_2515>. | 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_2515>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2515>. | **Token:** <BB_2515>
**SMILES:** O=C(O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F
**Molecular Formula:** C11H10F2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_2516>. | CC(N)c1cc2c(s1)CCCC2.Cl | |
What is the building block token for the following molecule? | CC(N)c1cc2c(s1)CCCC2.Cl | <BB_2516> |
What is the molecular formula for <BB_2516>? | The molecular formula for <BB_2516> (CC(N)c1cc2c(s1)CCCC2.Cl) is C10H16ClNS. | |
Describe the ring structures in building block <BB_2516>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. |
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