instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2383>? | The molecular formula for <BB_2383> (CS(=N)(=O)c1cccc(C(F)(F)F)c1.Cl) is C8H9ClF3NOS. | |
Describe the ring structures in building block <BB_2383>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2383>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2383>. | **Token:** <BB_2383>
**SMILES:** CS(=N)(=O)c1cccc(C(F)(F)F)c1.Cl
**Molecular Formula:** C8H9ClF3NOS
**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_2384>. | CC1CN(S(C)(=O)=O)CCC1N.Cl | |
What is the building block token for the following molecule? | CC1CN(S(C)(=O)=O)CCC1N.Cl | <BB_2384> |
What is the molecular formula for <BB_2384>? | The molecular formula for <BB_2384> (CC1CN(S(C)(=O)=O)CCC1N.Cl) is C7H17ClN2O2S. | |
Describe the ring structures in building block <BB_2384>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2384>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2384>. | **Token:** <BB_2384>
**SMILES:** CC1CN(S(C)(=O)=O)CCC1N.Cl
**Molecular Formula:** C7H17ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2385>. | O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1 | |
What is the building block token for the following molecule? | O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1 | <BB_2385> |
What is the molecular formula for <BB_2385>? | The molecular formula for <BB_2385> (O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1) is C10H6N2O4. | |
Describe the ring structures in building block <BB_2385>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2385>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2385>. | **Token:** <BB_2385>
**SMILES:** O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C10H6N2O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Nitro | |
Provide the SMILES representation for the building block token <BB_2386>. | CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 | |
What is the building block token for the following molecule? | CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 | <BB_2386> |
What is the molecular formula for <BB_2386>? | The molecular formula for <BB_2386> (CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1) is C15H23BO2. | |
Describe the ring structures in building block <BB_2386>. | 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_2386>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2386>. | **Token:** <BB_2386>
**SMILES:** CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1
**Molecular Formula:** C15H23BO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2387>. | CC(C)=CC[Si](C)(C)C | |
What is the building block token for the following molecule? | CC(C)=CC[Si](C)(C)C | <BB_2387> |
What is the molecular formula for <BB_2387>? | The molecular formula for <BB_2387> (CC(C)=CC[Si](C)(C)C) is C8H18Si. | |
Describe the ring structures in building block <BB_2387>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2387>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2387>. | **Token:** <BB_2387>
**SMILES:** CC(C)=CC[Si](C)(C)C
**Molecular Formula:** C8H18Si
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2388>. | CC(C)(C)n1nccc1N | |
What is the building block token for the following molecule? | CC(C)(C)n1nccc1N | <BB_2388> |
What is the molecular formula for <BB_2388>? | The molecular formula for <BB_2388> (CC(C)(C)n1nccc1N) is C7H13N3. | |
Describe the ring structures in building block <BB_2388>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2388>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2388>. | **Token:** <BB_2388>
**SMILES:** CC(C)(C)n1nccc1N
**Molecular Formula:** C7H13N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2389>. | Nc1cccc(-c2nnc3ccccn23)n1 | |
What is the building block token for the following molecule? | Nc1cccc(-c2nnc3ccccn23)n1 | <BB_2389> |
What is the molecular formula for <BB_2389>? | The molecular formula for <BB_2389> (Nc1cccc(-c2nnc3ccccn23)n1) is C11H9N5. | |
Describe the ring structures in building block <BB_2389>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2389>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2389>. | **Token:** <BB_2389>
**SMILES:** Nc1cccc(-c2nnc3ccccn23)n1
**Molecular Formula:** C11H9N5
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2390>. | O=S(=O)(NC1CCNCC1)c1ccccc1 | |
What is the building block token for the following molecule? | O=S(=O)(NC1CCNCC1)c1ccccc1 | <BB_2390> |
What is the molecular formula for <BB_2390>? | The molecular formula for <BB_2390> (O=S(=O)(NC1CCNCC1)c1ccccc1) is C11H16N2O2S. | |
Describe the ring structures in building block <BB_2390>. | 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_2390>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2390>. | **Token:** <BB_2390>
**SMILES:** O=S(=O)(NC1CCNCC1)c1ccccc1
**Molecular Formula:** C11H16N2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2391>. | N#CCCS(N)(=O)=O | |
What is the building block token for the following molecule? | N#CCCS(N)(=O)=O | <BB_2391> |
What is the molecular formula for <BB_2391>? | The molecular formula for <BB_2391> (N#CCCS(N)(=O)=O) is C3H6N2O2S. | |
Describe the ring structures in building block <BB_2391>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2391>. | The molecule contains the following groups: Amine, Nitrile, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2391>. | **Token:** <BB_2391>
**SMILES:** N#CCCS(N)(=O)=O
**Molecular Formula:** C3H6N2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Nitrile, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2392>. | O=C(O)CNC(=O)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)CNC(=O)c1ccccc1 | <BB_2392> |
What is the molecular formula for <BB_2392>? | The molecular formula for <BB_2392> (O=C(O)CNC(=O)c1ccccc1) is C9H9NO3. | |
Describe the ring structures in building block <BB_2392>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2392>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2392>. | **Token:** <BB_2392>
**SMILES:** O=C(O)CNC(=O)c1ccccc1
**Molecular Formula:** C9H9NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2393>. | COC(=O)c1cc(OC)ncc1N | |
What is the building block token for the following molecule? | COC(=O)c1cc(OC)ncc1N | <BB_2393> |
What is the molecular formula for <BB_2393>? | The molecular formula for <BB_2393> (COC(=O)c1cc(OC)ncc1N) is C8H10N2O3. | |
Describe the ring structures in building block <BB_2393>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2393>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2393>. | **Token:** <BB_2393>
**SMILES:** COC(=O)c1cc(OC)ncc1N
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2394>. | NCC1CCCC1c1ccccc1 | |
What is the building block token for the following molecule? | NCC1CCCC1c1ccccc1 | <BB_2394> |
What is the molecular formula for <BB_2394>? | The molecular formula for <BB_2394> (NCC1CCCC1c1ccccc1) is C12H17N. | |
Describe the ring structures in building block <BB_2394>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2394>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2394>. | **Token:** <BB_2394>
**SMILES:** NCC1CCCC1c1ccccc1
**Molecular Formula:** C12H17N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2395>. | NS(=O)(=O)c1ccccc1-n1cc(I)cn1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1ccccc1-n1cc(I)cn1 | <BB_2395> |
What is the molecular formula for <BB_2395>? | The molecular formula for <BB_2395> (NS(=O)(=O)c1ccccc1-n1cc(I)cn1) is C9H8IN3O2S. | |
Describe the ring structures in building block <BB_2395>. | 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_2395>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2395>. | **Token:** <BB_2395>
**SMILES:** NS(=O)(=O)c1ccccc1-n1cc(I)cn1
**Molecular Formula:** C9H8IN3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2396>. | Cc1nccnc1N1CCNCC1 | |
What is the building block token for the following molecule? | Cc1nccnc1N1CCNCC1 | <BB_2396> |
What is the molecular formula for <BB_2396>? | The molecular formula for <BB_2396> (Cc1nccnc1N1CCNCC1) is C9H14N4. | |
Describe the ring structures in building block <BB_2396>. | 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_2396>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2396>. | **Token:** <BB_2396>
**SMILES:** Cc1nccnc1N1CCNCC1
**Molecular Formula:** C9H14N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2397>. | COc1cc(C)c(C(C)NC(=O)CCl)cc1OC | |
What is the building block token for the following molecule? | COc1cc(C)c(C(C)NC(=O)CCl)cc1OC | <BB_2397> |
What is the molecular formula for <BB_2397>? | The molecular formula for <BB_2397> (COc1cc(C)c(C(C)NC(=O)CCl)cc1OC) is C13H18ClNO3. | |
Describe the ring structures in building block <BB_2397>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2397>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2397>. | **Token:** <BB_2397>
**SMILES:** COc1cc(C)c(C(C)NC(=O)CCl)cc1OC
**Molecular Formula:** C13H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2398>. | CC(=O)C1(N)CCC1.Cl | |
What is the building block token for the following molecule? | CC(=O)C1(N)CCC1.Cl | <BB_2398> |
What is the molecular formula for <BB_2398>? | The molecular formula for <BB_2398> (CC(=O)C1(N)CCC1.Cl) is C6H12ClNO. | |
Describe the ring structures in building block <BB_2398>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2398>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2398>. | **Token:** <BB_2398>
**SMILES:** CC(=O)C1(N)CCC1.Cl
**Molecular Formula:** C6H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2399>. | CN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 | |
What is the building block token for the following molecule? | CN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 | <BB_2399> |
What is the molecular formula for <BB_2399>? | The molecular formula for <BB_2399> (CN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1) is C13H26N2O2. | |
Describe the ring structures in building block <BB_2399>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2399>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2399>. | **Token:** <BB_2399>
**SMILES:** CN(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1
**Molecular Formula:** C13H26N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ether |
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