instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2300>. | CC1CCNC1(C)C.Cl | |
What is the building block token for the following molecule? | CC1CCNC1(C)C.Cl | <BB_2300> |
What is the molecular formula for <BB_2300>? | The molecular formula for <BB_2300> (CC1CCNC1(C)C.Cl) is C7H16ClN. | |
Describe the ring structures in building block <BB_2300>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2300>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2300>. | **Token:** <BB_2300>
**SMILES:** CC1CCNC1(C)C.Cl
**Molecular Formula:** C7H16ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2301>. | Cl.NCCc1ccccc1I | |
What is the building block token for the following molecule? | Cl.NCCc1ccccc1I | <BB_2301> |
What is the molecular formula for <BB_2301>? | The molecular formula for <BB_2301> (Cl.NCCc1ccccc1I) is C8H11ClIN. | |
Describe the ring structures in building block <BB_2301>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2301>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2301>. | **Token:** <BB_2301>
**SMILES:** Cl.NCCc1ccccc1I
**Molecular Formula:** C8H11ClIN
**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_2302>. | COCCOc1ccc(F)cc1N | |
What is the building block token for the following molecule? | COCCOc1ccc(F)cc1N | <BB_2302> |
What is the molecular formula for <BB_2302>? | The molecular formula for <BB_2302> (COCCOc1ccc(F)cc1N) is C9H12FNO2. | |
Describe the ring structures in building block <BB_2302>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2302>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2302>. | **Token:** <BB_2302>
**SMILES:** COCCOc1ccc(F)cc1N
**Molecular Formula:** C9H12FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2303>. | COC[C@H]1CC[C@@H](COC)N1.Cl | |
What is the building block token for the following molecule? | COC[C@H]1CC[C@@H](COC)N1.Cl | <BB_2303> |
What is the molecular formula for <BB_2303>? | The molecular formula for <BB_2303> (COC[C@H]1CC[C@@H](COC)N1.Cl) is C8H18ClNO2. | |
Describe the ring structures in building block <BB_2303>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2303>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2303>. | **Token:** <BB_2303>
**SMILES:** COC[C@H]1CC[C@@H](COC)N1.Cl
**Molecular Formula:** C8H18ClNO2
**Ring System:** The molecule contains 1 ring(s): 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_2304>. | O=C(O)CCc1nc2ccncc2[nH]1 | |
What is the building block token for the following molecule? | O=C(O)CCc1nc2ccncc2[nH]1 | <BB_2304> |
What is the molecular formula for <BB_2304>? | The molecular formula for <BB_2304> (O=C(O)CCc1nc2ccncc2[nH]1) is C9H9N3O2. | |
Describe the ring structures in building block <BB_2304>. | 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_2304>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2304>. | **Token:** <BB_2304>
**SMILES:** O=C(O)CCc1nc2ccncc2[nH]1
**Molecular Formula:** C9H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2305>. | COC(=O)c1ccn(COc2ccc(OC)cc2)n1 | |
What is the building block token for the following molecule? | COC(=O)c1ccn(COc2ccc(OC)cc2)n1 | <BB_2305> |
What is the molecular formula for <BB_2305>? | The molecular formula for <BB_2305> (COC(=O)c1ccn(COc2ccc(OC)cc2)n1) is C13H14N2O4. | |
Describe the ring structures in building block <BB_2305>. | 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_2305>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2305>. | **Token:** <BB_2305>
**SMILES:** COC(=O)c1ccn(COc2ccc(OC)cc2)n1
**Molecular Formula:** C13H14N2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2306>. | O=C(O)COc1ccc2cc(Br)ccc2c1 | |
What is the building block token for the following molecule? | O=C(O)COc1ccc2cc(Br)ccc2c1 | <BB_2306> |
What is the molecular formula for <BB_2306>? | The molecular formula for <BB_2306> (O=C(O)COc1ccc2cc(Br)ccc2c1) is C12H9BrO3. | |
Describe the ring structures in building block <BB_2306>. | 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_2306>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2306>. | **Token:** <BB_2306>
**SMILES:** O=C(O)COc1ccc2cc(Br)ccc2c1
**Molecular Formula:** C12H9BrO3
**Ring System:** The molecule contains 2 ring(s): an aromatic 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_2307>. | CNC1CCN(C(=O)C2CC2)CC1.Cl | |
What is the building block token for the following molecule? | CNC1CCN(C(=O)C2CC2)CC1.Cl | <BB_2307> |
What is the molecular formula for <BB_2307>? | The molecular formula for <BB_2307> (CNC1CCN(C(=O)C2CC2)CC1.Cl) is C10H19ClN2O. | |
Describe the ring structures in building block <BB_2307>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2307>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2307>. | **Token:** <BB_2307>
**SMILES:** CNC1CCN(C(=O)C2CC2)CC1.Cl
**Molecular Formula:** C10H19ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2308>. | CCOC(=O)C1(C)CCNCC1(F)F | |
What is the building block token for the following molecule? | CCOC(=O)C1(C)CCNCC1(F)F | <BB_2308> |
What is the molecular formula for <BB_2308>? | The molecular formula for <BB_2308> (CCOC(=O)C1(C)CCNCC1(F)F) is C9H15F2NO2. | |
Describe the ring structures in building block <BB_2308>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2308>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2308>. | **Token:** <BB_2308>
**SMILES:** CCOC(=O)C1(C)CCNCC1(F)F
**Molecular Formula:** C9H15F2NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2309>. | Cn1cc(Br)cc(C(F)(F)F)c1=O | |
What is the building block token for the following molecule? | Cn1cc(Br)cc(C(F)(F)F)c1=O | <BB_2309> |
What is the molecular formula for <BB_2309>? | The molecular formula for <BB_2309> (Cn1cc(Br)cc(C(F)(F)F)c1=O) is C7H5BrF3NO. | |
Describe the ring structures in building block <BB_2309>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2309>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2309>. | **Token:** <BB_2309>
**SMILES:** Cn1cc(Br)cc(C(F)(F)F)c1=O
**Molecular Formula:** C7H5BrF3NO
**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_2310>. | COC(=O)C(O)Cc1ccncc1.Cl | |
What is the building block token for the following molecule? | COC(=O)C(O)Cc1ccncc1.Cl | <BB_2310> |
What is the molecular formula for <BB_2310>? | The molecular formula for <BB_2310> (COC(=O)C(O)Cc1ccncc1.Cl) is C9H12ClNO3. | |
Describe the ring structures in building block <BB_2310>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2310>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2310>. | **Token:** <BB_2310>
**SMILES:** COC(=O)C(O)Cc1ccncc1.Cl
**Molecular Formula:** C9H12ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2311>. | Cl.NC[C@H]1C[C@H]1CC(=O)O | |
What is the building block token for the following molecule? | Cl.NC[C@H]1C[C@H]1CC(=O)O | <BB_2311> |
What is the molecular formula for <BB_2311>? | The molecular formula for <BB_2311> (Cl.NC[C@H]1C[C@H]1CC(=O)O) is C6H12ClNO2. | |
Describe the ring structures in building block <BB_2311>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2311>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2311>. | **Token:** <BB_2311>
**SMILES:** Cl.NC[C@H]1C[C@H]1CC(=O)O
**Molecular Formula:** C6H12ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2312>. | Cl.O=C1CNCC2(CCC2)C1 | |
What is the building block token for the following molecule? | Cl.O=C1CNCC2(CCC2)C1 | <BB_2312> |
What is the molecular formula for <BB_2312>? | The molecular formula for <BB_2312> (Cl.O=C1CNCC2(CCC2)C1) is C8H14ClNO. | |
Describe the ring structures in building block <BB_2312>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2312>. | The molecule contains the following groups: Secondary Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2312>. | **Token:** <BB_2312>
**SMILES:** Cl.O=C1CNCC2(CCC2)C1
**Molecular Formula:** C8H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2313>. | NCC(O)c1c(Cl)cccc1Cl | |
What is the building block token for the following molecule? | NCC(O)c1c(Cl)cccc1Cl | <BB_2313> |
What is the molecular formula for <BB_2313>? | The molecular formula for <BB_2313> (NCC(O)c1c(Cl)cccc1Cl) is C8H9Cl2NO. | |
Describe the ring structures in building block <BB_2313>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2313>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2313>. | **Token:** <BB_2313>
**SMILES:** NCC(O)c1c(Cl)cccc1Cl
**Molecular Formula:** C8H9Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2314>. | OCC1CC12CCC1(CC2)OCCO1 | |
What is the building block token for the following molecule? | OCC1CC12CCC1(CC2)OCCO1 | <BB_2314> |
What is the molecular formula for <BB_2314>? | The molecular formula for <BB_2314> (OCC1CC12CCC1(CC2)OCCO1) is C11H18O3. | |
Describe the ring structures in building block <BB_2314>. | The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2314>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2314>. | **Token:** <BB_2314>
**SMILES:** OCC1CC12CCC1(CC2)OCCO1
**Molecular Formula:** C11H18O3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2315>. | O=C(c1ccccc1)N1CC2COCC(C1)C2(F)F | |
What is the building block token for the following molecule? | O=C(c1ccccc1)N1CC2COCC(C1)C2(F)F | <BB_2315> |
What is the molecular formula for <BB_2315>? | The molecular formula for <BB_2315> (O=C(c1ccccc1)N1CC2COCC(C1)C2(F)F) is C14H15F2NO2. | |
Describe the ring structures in building block <BB_2315>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2315>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2315>. | **Token:** <BB_2315>
**SMILES:** O=C(c1ccccc1)N1CC2COCC(C1)C2(F)F
**Molecular Formula:** C14H15F2NO2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2316>. | Cc1cc(C)c2c(=O)[nH]sc2n1 | |
What is the building block token for the following molecule? | Cc1cc(C)c2c(=O)[nH]sc2n1 | <BB_2316> |
What is the molecular formula for <BB_2316>? | The molecular formula for <BB_2316> (Cc1cc(C)c2c(=O)[nH]sc2n1) is C8H8N2OS. | |
Describe the ring structures in building block <BB_2316>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. |
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