instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2450>. | Brc1ccn2ccnc2n1 | |
What is the building block token for the following molecule? | Brc1ccn2ccnc2n1 | <BB_2450> |
What is the molecular formula for <BB_2450>? | The molecular formula for <BB_2450> (Brc1ccn2ccnc2n1) is C6H4BrN3. | |
Describe the ring structures in building block <BB_2450>. | 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_2450>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2450>. | **Token:** <BB_2450>
**SMILES:** Brc1ccn2ccnc2n1
**Molecular Formula:** C6H4BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2451>. | Cc1cc(CCN)no1.Cl | |
What is the building block token for the following molecule? | Cc1cc(CCN)no1.Cl | <BB_2451> |
What is the molecular formula for <BB_2451>? | The molecular formula for <BB_2451> (Cc1cc(CCN)no1.Cl) is C6H11ClN2O. | |
Describe the ring structures in building block <BB_2451>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2451>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2451>. | **Token:** <BB_2451>
**SMILES:** Cc1cc(CCN)no1.Cl
**Molecular Formula:** C6H11ClN2O
**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_2452>. | O=C(Nc1ccccn1)C1CCCNC1 | |
What is the building block token for the following molecule? | O=C(Nc1ccccn1)C1CCCNC1 | <BB_2452> |
What is the molecular formula for <BB_2452>? | The molecular formula for <BB_2452> (O=C(Nc1ccccn1)C1CCCNC1) is C11H15N3O. | |
Describe the ring structures in building block <BB_2452>. | 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_2452>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2452>. | **Token:** <BB_2452>
**SMILES:** O=C(Nc1ccccn1)C1CCCNC1
**Molecular Formula:** C11H15N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2453>. | Fc1ccc(Br)c(F)c1OC(F)(F)F | |
What is the building block token for the following molecule? | Fc1ccc(Br)c(F)c1OC(F)(F)F | <BB_2453> |
What is the molecular formula for <BB_2453>? | The molecular formula for <BB_2453> (Fc1ccc(Br)c(F)c1OC(F)(F)F) is C7H2BrF5O. | |
Describe the ring structures in building block <BB_2453>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2453>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2453>. | **Token:** <BB_2453>
**SMILES:** Fc1ccc(Br)c(F)c1OC(F)(F)F
**Molecular Formula:** C7H2BrF5O
**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_2454>. | NC(c1ccccc1)c1ccccc1 | |
What is the building block token for the following molecule? | NC(c1ccccc1)c1ccccc1 | <BB_2454> |
What is the molecular formula for <BB_2454>? | The molecular formula for <BB_2454> (NC(c1ccccc1)c1ccccc1) is C13H13N. | |
Describe the ring structures in building block <BB_2454>. | 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_2454>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2454>. | **Token:** <BB_2454>
**SMILES:** NC(c1ccccc1)c1ccccc1
**Molecular Formula:** C13H13N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2455>. | N#Cc1ccc(N2CCSCC2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(N2CCSCC2)cc1 | <BB_2455> |
What is the molecular formula for <BB_2455>? | The molecular formula for <BB_2455> (N#Cc1ccc(N2CCSCC2)cc1) is C11H12N2S. | |
Describe the ring structures in building block <BB_2455>. | 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_2455>. | The molecule contains the following groups: Tertiary Amine, Sulfide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2455>. | **Token:** <BB_2455>
**SMILES:** N#Cc1ccc(N2CCSCC2)cc1
**Molecular Formula:** C11H12N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Sulfide, Nitrile | |
Provide the SMILES representation for the building block token <BB_2456>. | CCCC1(C(=O)O)CCCCC1 | |
What is the building block token for the following molecule? | CCCC1(C(=O)O)CCCCC1 | <BB_2456> |
What is the molecular formula for <BB_2456>? | The molecular formula for <BB_2456> (CCCC1(C(=O)O)CCCCC1) is C10H18O2. | |
Describe the ring structures in building block <BB_2456>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2456>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2456>. | **Token:** <BB_2456>
**SMILES:** CCCC1(C(=O)O)CCCCC1
**Molecular Formula:** C10H18O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2457>. | CC1=C(C)C(=O)c2cc(C)ccc2C1=O | |
What is the building block token for the following molecule? | CC1=C(C)C(=O)c2cc(C)ccc2C1=O | <BB_2457> |
What is the molecular formula for <BB_2457>? | The molecular formula for <BB_2457> (CC1=C(C)C(=O)c2cc(C)ccc2C1=O) is C13H12O2. | |
Describe the ring structures in building block <BB_2457>. | 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_2457>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2457>. | **Token:** <BB_2457>
**SMILES:** CC1=C(C)C(=O)c2cc(C)ccc2C1=O
**Molecular Formula:** C13H12O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2458>. | COC(=O)c1n[nH]c2c1CCCC2 | |
What is the building block token for the following molecule? | COC(=O)c1n[nH]c2c1CCCC2 | <BB_2458> |
What is the molecular formula for <BB_2458>? | The molecular formula for <BB_2458> (COC(=O)c1n[nH]c2c1CCCC2) is C9H12N2O2. | |
Describe the ring structures in building block <BB_2458>. | 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_2458>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2458>. | **Token:** <BB_2458>
**SMILES:** COC(=O)c1n[nH]c2c1CCCC2
**Molecular Formula:** C9H12N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2459>. | CS(=O)(=O)c1ccc(Cc2nnc(N)o2)cc1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(Cc2nnc(N)o2)cc1 | <BB_2459> |
What is the molecular formula for <BB_2459>? | The molecular formula for <BB_2459> (CS(=O)(=O)c1ccc(Cc2nnc(N)o2)cc1) is C10H11N3O3S. | |
Describe the ring structures in building block <BB_2459>. | 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_2459>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2459>. | **Token:** <BB_2459>
**SMILES:** CS(=O)(=O)c1ccc(Cc2nnc(N)o2)cc1
**Molecular Formula:** C10H11N3O3S
**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_2460>. | CCc1cc(C)nc(C2CCNCC2)n1.Cl.Cl | |
What is the building block token for the following molecule? | CCc1cc(C)nc(C2CCNCC2)n1.Cl.Cl | <BB_2460> |
What is the molecular formula for <BB_2460>? | The molecular formula for <BB_2460> (CCc1cc(C)nc(C2CCNCC2)n1.Cl.Cl) is C12H21Cl2N3. | |
Describe the ring structures in building block <BB_2460>. | 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_2460>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2460>. | **Token:** <BB_2460>
**SMILES:** CCc1cc(C)nc(C2CCNCC2)n1.Cl.Cl
**Molecular Formula:** C12H21Cl2N3
**Ring System:** The molecule contains 2 ring(s): 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_2461>. | O=c1cc(-c2ccccc2)c2ccccc2[nH]1 | |
What is the building block token for the following molecule? | O=c1cc(-c2ccccc2)c2ccccc2[nH]1 | <BB_2461> |
What is the molecular formula for <BB_2461>? | The molecular formula for <BB_2461> (O=c1cc(-c2ccccc2)c2ccccc2[nH]1) is C15H11NO. | |
Describe the ring structures in building block <BB_2461>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2461>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2461>. | **Token:** <BB_2461>
**SMILES:** O=c1cc(-c2ccccc2)c2ccccc2[nH]1
**Molecular Formula:** C15H11NO
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2462>. | O=C1NCC(O)CC12CCCC2 | |
What is the building block token for the following molecule? | O=C1NCC(O)CC12CCCC2 | <BB_2462> |
What is the molecular formula for <BB_2462>? | The molecular formula for <BB_2462> (O=C1NCC(O)CC12CCCC2) is C9H15NO2. | |
Describe the ring structures in building block <BB_2462>. | 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_2462>. | The molecule contains the following groups: Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2462>. | **Token:** <BB_2462>
**SMILES:** O=C1NCC(O)CC12CCCC2
**Molecular Formula:** C9H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_2463>. | Cl.N[C@@H]1C[C@H]1c1cccc2c1OCCO2 | |
What is the building block token for the following molecule? | Cl.N[C@@H]1C[C@H]1c1cccc2c1OCCO2 | <BB_2463> |
What is the molecular formula for <BB_2463>? | The molecular formula for <BB_2463> (Cl.N[C@@H]1C[C@H]1c1cccc2c1OCCO2) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_2463>. | The molecule contains 3 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2463>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2463>. | **Token:** <BB_2463>
**SMILES:** Cl.N[C@@H]1C[C@H]1c1cccc2c1OCCO2
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6, 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_2464>. | COc1cccc(-c2cc(C(=O)O)on2)c1 | |
What is the building block token for the following molecule? | COc1cccc(-c2cc(C(=O)O)on2)c1 | <BB_2464> |
What is the molecular formula for <BB_2464>? | The molecular formula for <BB_2464> (COc1cccc(-c2cc(C(=O)O)on2)c1) is C11H9NO4. | |
Describe the ring structures in building block <BB_2464>. | 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_2464>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2464>. | **Token:** <BB_2464>
**SMILES:** COc1cccc(-c2cc(C(=O)O)on2)c1
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2465>. | CO[C@H]1C[C@@H](N)C[C@H]1O.Cl | |
What is the building block token for the following molecule? | CO[C@H]1C[C@@H](N)C[C@H]1O.Cl | <BB_2465> |
What is the molecular formula for <BB_2465>? | The molecular formula for <BB_2465> (CO[C@H]1C[C@@H](N)C[C@H]1O.Cl) is C6H14ClNO2. | |
Describe the ring structures in building block <BB_2465>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2465>. | The molecule contains the following groups: Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2465>. | **Token:** <BB_2465>
**SMILES:** CO[C@H]1C[C@@H](N)C[C@H]1O.Cl
**Molecular Formula:** C6H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2466>. | CN(C)NC1CCS(=O)(=O)C1.Cl | |
What is the building block token for the following molecule? | CN(C)NC1CCS(=O)(=O)C1.Cl | <BB_2466> |
What is the molecular formula for <BB_2466>? | The molecular formula for <BB_2466> (CN(C)NC1CCS(=O)(=O)C1.Cl) is C6H15ClN2O2S. | |
Describe the ring structures in building block <BB_2466>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. |
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