instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_533>? | The molecular formula for <BB_533> (CCc1ccccc1[C@@H]1C[C@H]1C(=O)O) is C12H14O2. | |
Describe the ring structures in building block <BB_533>. | 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_533>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_533>. | **Token:** <BB_533>
**SMILES:** CCc1ccccc1[C@@H]1C[C@H]1C(=O)O
**Molecular Formula:** C12H14O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_534>. | CCOc1ccc(/C=C/c2ccncc2)cc1 | |
What is the building block token for the following molecule? | CCOc1ccc(/C=C/c2ccncc2)cc1 | <BB_534> |
What is the molecular formula for <BB_534>? | The molecular formula for <BB_534> (CCOc1ccc(/C=C/c2ccncc2)cc1) is C15H15NO. | |
Describe the ring structures in building block <BB_534>. | 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_534>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_534>. | **Token:** <BB_534>
**SMILES:** CCOc1ccc(/C=C/c2ccncc2)cc1
**Molecular Formula:** C15H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_535>. | O=C(O)Cn1cc(C(=O)O)c2ccccc21 | |
What is the building block token for the following molecule? | O=C(O)Cn1cc(C(=O)O)c2ccccc21 | <BB_535> |
What is the molecular formula for <BB_535>? | The molecular formula for <BB_535> (O=C(O)Cn1cc(C(=O)O)c2ccccc21) is C11H9NO4. | |
Describe the ring structures in building block <BB_535>. | 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_535>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_535>. | **Token:** <BB_535>
**SMILES:** O=C(O)Cn1cc(C(=O)O)c2ccccc21
**Molecular Formula:** C11H9NO4
**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_536>. | CN(C)CCOc1ccccc1N1CCNCC1 | |
What is the building block token for the following molecule? | CN(C)CCOc1ccccc1N1CCNCC1 | <BB_536> |
What is the molecular formula for <BB_536>? | The molecular formula for <BB_536> (CN(C)CCOc1ccccc1N1CCNCC1) is C14H23N3O. | |
Describe the ring structures in building block <BB_536>. | 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_536>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_536>. | **Token:** <BB_536>
**SMILES:** CN(C)CCOc1ccccc1N1CCNCC1
**Molecular Formula:** C14H23N3O
**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, Ether | |
Provide the SMILES representation for the building block token <BB_537>. | C=COc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | C=COc1ccc(Br)cc1 | <BB_537> |
What is the molecular formula for <BB_537>? | The molecular formula for <BB_537> (C=COc1ccc(Br)cc1) is C8H7BrO. | |
Describe the ring structures in building block <BB_537>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_537>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_537>. | **Token:** <BB_537>
**SMILES:** C=COc1ccc(Br)cc1
**Molecular Formula:** C8H7BrO
**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_538>. | CN1Cc2[nH]nc(Br)c2C1 | |
What is the building block token for the following molecule? | CN1Cc2[nH]nc(Br)c2C1 | <BB_538> |
What is the molecular formula for <BB_538>? | The molecular formula for <BB_538> (CN1Cc2[nH]nc(Br)c2C1) is C6H8BrN3. | |
Describe the ring structures in building block <BB_538>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_538>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_538>. | **Token:** <BB_538>
**SMILES:** CN1Cc2[nH]nc(Br)c2C1
**Molecular Formula:** C6H8BrN3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_539>. | O=S(=O)(Cl)CCc1noc2ccccc12 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)CCc1noc2ccccc12 | <BB_539> |
What is the molecular formula for <BB_539>? | The molecular formula for <BB_539> (O=S(=O)(Cl)CCc1noc2ccccc12) is C9H8ClNO3S. | |
Describe the ring structures in building block <BB_539>. | 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_539>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_539>. | **Token:** <BB_539>
**SMILES:** O=S(=O)(Cl)CCc1noc2ccccc12
**Molecular Formula:** C9H8ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_540>. | COc1ccc(Br)c2c1CNCC2 | |
What is the building block token for the following molecule? | COc1ccc(Br)c2c1CNCC2 | <BB_540> |
What is the molecular formula for <BB_540>? | The molecular formula for <BB_540> (COc1ccc(Br)c2c1CNCC2) is C10H12BrNO. | |
Describe the ring structures in building block <BB_540>. | 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_540>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_540>. | **Token:** <BB_540>
**SMILES:** COc1ccc(Br)c2c1CNCC2
**Molecular Formula:** C10H12BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_541>. | Cc1ccc(Br)cc1NN.Cl | |
What is the building block token for the following molecule? | Cc1ccc(Br)cc1NN.Cl | <BB_541> |
What is the molecular formula for <BB_541>? | The molecular formula for <BB_541> (Cc1ccc(Br)cc1NN.Cl) is C7H10BrClN2. | |
Describe the ring structures in building block <BB_541>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_541>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_541>. | **Token:** <BB_541>
**SMILES:** Cc1ccc(Br)cc1NN.Cl
**Molecular Formula:** C7H10BrClN2
**Ring System:** The molecule contains 1 ring(s): 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_542>. | Br.BrCc1cncs1 | |
What is the building block token for the following molecule? | Br.BrCc1cncs1 | <BB_542> |
What is the molecular formula for <BB_542>? | The molecular formula for <BB_542> (Br.BrCc1cncs1) is C4H5Br2NS. | |
Describe the ring structures in building block <BB_542>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_542>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_542>. | **Token:** <BB_542>
**SMILES:** Br.BrCc1cncs1
**Molecular Formula:** C4H5Br2NS
**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_543>. | COC(=O)C1CCC(=O)N1C(C)C | |
What is the building block token for the following molecule? | COC(=O)C1CCC(=O)N1C(C)C | <BB_543> |
What is the molecular formula for <BB_543>? | The molecular formula for <BB_543> (COC(=O)C1CCC(=O)N1C(C)C) is C9H15NO3. | |
Describe the ring structures in building block <BB_543>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_543>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_543>. | **Token:** <BB_543>
**SMILES:** COC(=O)C1CCC(=O)N1C(C)C
**Molecular Formula:** C9H15NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_544>. | Brc1sc(Br)c2nccnc12 | |
What is the building block token for the following molecule? | Brc1sc(Br)c2nccnc12 | <BB_544> |
What is the molecular formula for <BB_544>? | The molecular formula for <BB_544> (Brc1sc(Br)c2nccnc12) is C6H2Br2N2S. | |
Describe the ring structures in building block <BB_544>. | 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_544>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_544>. | **Token:** <BB_544>
**SMILES:** Brc1sc(Br)c2nccnc12
**Molecular Formula:** C6H2Br2N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_545>. | Cl.NCC12CC(C(=O)O)(CCO1)C2 | |
What is the building block token for the following molecule? | Cl.NCC12CC(C(=O)O)(CCO1)C2 | <BB_545> |
What is the molecular formula for <BB_545>? | The molecular formula for <BB_545> (Cl.NCC12CC(C(=O)O)(CCO1)C2) is C8H14ClNO3. | |
Describe the ring structures in building block <BB_545>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_545>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_545>. | **Token:** <BB_545>
**SMILES:** Cl.NCC12CC(C(=O)O)(CCO1)C2
**Molecular Formula:** C8H14ClNO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_546>. | O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1 | <BB_546> |
What is the molecular formula for <BB_546>? | The molecular formula for <BB_546> (O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1) is C10H5Cl2NO2. | |
Describe the ring structures in building block <BB_546>. | 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_546>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_546>. | **Token:** <BB_546>
**SMILES:** O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1
**Molecular Formula:** C10H5Cl2NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_547>. | Cn1cncc1NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | Cn1cncc1NC(=O)OC(C)(C)C | <BB_547> |
What is the molecular formula for <BB_547>? | The molecular formula for <BB_547> (Cn1cncc1NC(=O)OC(C)(C)C) is C9H15N3O2. | |
Describe the ring structures in building block <BB_547>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_547>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_547>. | **Token:** <BB_547>
**SMILES:** Cn1cncc1NC(=O)OC(C)(C)C
**Molecular Formula:** C9H15N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_548>. | Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 | |
What is the building block token for the following molecule? | Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 | <BB_548> |
What is the molecular formula for <BB_548>? | The molecular formula for <BB_548> (Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1) is C9H8N4O2. | |
Describe the ring structures in building block <BB_548>. | 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_548>. | The molecule contains the following groups: Amine, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_548>. | **Token:** <BB_548>
**SMILES:** Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1
**Molecular Formula:** C9H8N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_549>. | CCn1c(CCCCCN)nnc1SC.I | |
What is the building block token for the following molecule? | CCn1c(CCCCCN)nnc1SC.I | <BB_549> |
What is the molecular formula for <BB_549>? | The molecular formula for <BB_549> (CCn1c(CCCCCN)nnc1SC.I) is C10H21IN4S. | |
Describe the ring structures in building block <BB_549>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_549>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_549>. | **Token:** <BB_549>
**SMILES:** CCn1c(CCCCCN)nnc1SC.I
**Molecular Formula:** C10H21IN4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) |
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