instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1383>? | The molecular formula for <BB_1383> (OC[C@@H]1C[C@H]1CO) is C5H10O2. | |
Describe the ring structures in building block <BB_1383>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1383>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1383>. | **Token:** <BB_1383>
**SMILES:** OC[C@@H]1C[C@H]1CO
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1384>. | CS(=O)(=O)Nc1cccc(O)c1 | |
What is the building block token for the following molecule? | CS(=O)(=O)Nc1cccc(O)c1 | <BB_1384> |
What is the molecular formula for <BB_1384>? | The molecular formula for <BB_1384> (CS(=O)(=O)Nc1cccc(O)c1) is C7H9NO3S. | |
Describe the ring structures in building block <BB_1384>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1384>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1384>. | **Token:** <BB_1384>
**SMILES:** CS(=O)(=O)Nc1cccc(O)c1
**Molecular Formula:** C7H9NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1385>. | Cl.NCCC1(C(F)(F)F)CCC1 | |
What is the building block token for the following molecule? | Cl.NCCC1(C(F)(F)F)CCC1 | <BB_1385> |
What is the molecular formula for <BB_1385>? | The molecular formula for <BB_1385> (Cl.NCCC1(C(F)(F)F)CCC1) is C7H13ClF3N. | |
Describe the ring structures in building block <BB_1385>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1385>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1385>. | **Token:** <BB_1385>
**SMILES:** Cl.NCCC1(C(F)(F)F)CCC1
**Molecular Formula:** C7H13ClF3N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1386>. | CCn1nc(Br)cc1C(=O)O | |
What is the building block token for the following molecule? | CCn1nc(Br)cc1C(=O)O | <BB_1386> |
What is the molecular formula for <BB_1386>? | The molecular formula for <BB_1386> (CCn1nc(Br)cc1C(=O)O) is C6H7BrN2O2. | |
Describe the ring structures in building block <BB_1386>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1386>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1386>. | **Token:** <BB_1386>
**SMILES:** CCn1nc(Br)cc1C(=O)O
**Molecular Formula:** C6H7BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1387>. | CCN(CC)c1ccc(I)cc1 | |
What is the building block token for the following molecule? | CCN(CC)c1ccc(I)cc1 | <BB_1387> |
What is the molecular formula for <BB_1387>? | The molecular formula for <BB_1387> (CCN(CC)c1ccc(I)cc1) is C10H14IN. | |
Describe the ring structures in building block <BB_1387>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1387>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1387>. | **Token:** <BB_1387>
**SMILES:** CCN(CC)c1ccc(I)cc1
**Molecular Formula:** C10H14IN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1388>. | CC(O)CN1CCSC(C)(C)C1 | |
What is the building block token for the following molecule? | CC(O)CN1CCSC(C)(C)C1 | <BB_1388> |
What is the molecular formula for <BB_1388>? | The molecular formula for <BB_1388> (CC(O)CN1CCSC(C)(C)C1) is C9H19NOS. | |
Describe the ring structures in building block <BB_1388>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1388>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1388>. | **Token:** <BB_1388>
**SMILES:** CC(O)CN1CCSC(C)(C)C1
**Molecular Formula:** C9H19NOS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_1389>. | CCCCN1CCCCC1C(=O)O | |
What is the building block token for the following molecule? | CCCCN1CCCCC1C(=O)O | <BB_1389> |
What is the molecular formula for <BB_1389>? | The molecular formula for <BB_1389> (CCCCN1CCCCC1C(=O)O) is C10H19NO2. | |
Describe the ring structures in building block <BB_1389>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1389>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1389>. | **Token:** <BB_1389>
**SMILES:** CCCCN1CCCCC1C(=O)O
**Molecular Formula:** C10H19NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1390>. | CCO[Si](CCl)(OCC)OCC | |
What is the building block token for the following molecule? | CCO[Si](CCl)(OCC)OCC | <BB_1390> |
What is the molecular formula for <BB_1390>? | The molecular formula for <BB_1390> (CCO[Si](CCl)(OCC)OCC) is C7H17ClO3Si. | |
Describe the ring structures in building block <BB_1390>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1390>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1390>. | **Token:** <BB_1390>
**SMILES:** CCO[Si](CCl)(OCC)OCC
**Molecular Formula:** C7H17ClO3Si
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1391>. | Cc1nccn1CCCl.Cl | |
What is the building block token for the following molecule? | Cc1nccn1CCCl.Cl | <BB_1391> |
What is the molecular formula for <BB_1391>? | The molecular formula for <BB_1391> (Cc1nccn1CCCl.Cl) is C6H10Cl2N2. | |
Describe the ring structures in building block <BB_1391>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1391>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1391>. | **Token:** <BB_1391>
**SMILES:** Cc1nccn1CCCl.Cl
**Molecular Formula:** C6H10Cl2N2
**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_1392>. | O=C(O)[C@@H]1CSC(c2cccc(Cl)c2Cl)N1 | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1CSC(c2cccc(Cl)c2Cl)N1 | <BB_1392> |
What is the molecular formula for <BB_1392>? | The molecular formula for <BB_1392> (O=C(O)[C@@H]1CSC(c2cccc(Cl)c2Cl)N1) is C10H9Cl2NO2S. | |
Describe the ring structures in building block <BB_1392>. | 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_1392>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1392>. | **Token:** <BB_1392>
**SMILES:** O=C(O)[C@@H]1CSC(c2cccc(Cl)c2Cl)N1
**Molecular Formula:** C10H9Cl2NO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1393>. | CC(C)(C)OC(=O)NCC12COCC(N)(C1)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCC12COCC(N)(C1)C2 | <BB_1393> |
What is the molecular formula for <BB_1393>? | The molecular formula for <BB_1393> (CC(C)(C)OC(=O)NCC12COCC(N)(C1)C2) is C12H22N2O3. | |
Describe the ring structures in building block <BB_1393>. | 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_1393>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1393>. | **Token:** <BB_1393>
**SMILES:** CC(C)(C)OC(=O)NCC12COCC(N)(C1)C2
**Molecular Formula:** C12H22N2O3
**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:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1394>. | OCc1c(F)cccc1F | |
What is the building block token for the following molecule? | OCc1c(F)cccc1F | <BB_1394> |
What is the molecular formula for <BB_1394>? | The molecular formula for <BB_1394> (OCc1c(F)cccc1F) is C7H6F2O. | |
Describe the ring structures in building block <BB_1394>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1394>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1394>. | **Token:** <BB_1394>
**SMILES:** OCc1c(F)cccc1F
**Molecular Formula:** C7H6F2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1395>. | COc1cc(C(=O)O)cc(N)c1OC | |
What is the building block token for the following molecule? | COc1cc(C(=O)O)cc(N)c1OC | <BB_1395> |
What is the molecular formula for <BB_1395>? | The molecular formula for <BB_1395> (COc1cc(C(=O)O)cc(N)c1OC) is C9H11NO4. | |
Describe the ring structures in building block <BB_1395>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1395>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1395>. | **Token:** <BB_1395>
**SMILES:** COc1cc(C(=O)O)cc(N)c1OC
**Molecular Formula:** C9H11NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1396>. | COC(=O)C1NCCc2ccccc21.Cl | |
What is the building block token for the following molecule? | COC(=O)C1NCCc2ccccc21.Cl | <BB_1396> |
What is the molecular formula for <BB_1396>? | The molecular formula for <BB_1396> (COC(=O)C1NCCc2ccccc21.Cl) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_1396>. | 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_1396>. | 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_1396>. | **Token:** <BB_1396>
**SMILES:** COC(=O)C1NCCc2ccccc21.Cl
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic 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_1397>. | Clc1ccc2ncccc2c1 | |
What is the building block token for the following molecule? | Clc1ccc2ncccc2c1 | <BB_1397> |
What is the molecular formula for <BB_1397>? | The molecular formula for <BB_1397> (Clc1ccc2ncccc2c1) is C9H6ClN. | |
Describe the ring structures in building block <BB_1397>. | 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_1397>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1397>. | **Token:** <BB_1397>
**SMILES:** Clc1ccc2ncccc2c1
**Molecular Formula:** C9H6ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1398>. | O=C(c1ccc(Br)cc1)c1cncnc1 | |
What is the building block token for the following molecule? | O=C(c1ccc(Br)cc1)c1cncnc1 | <BB_1398> |
What is the molecular formula for <BB_1398>? | The molecular formula for <BB_1398> (O=C(c1ccc(Br)cc1)c1cncnc1) is C11H7BrN2O. | |
Describe the ring structures in building block <BB_1398>. | 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_1398>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1398>. | **Token:** <BB_1398>
**SMILES:** O=C(c1ccc(Br)cc1)c1cncnc1
**Molecular Formula:** C11H7BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1399>. | CN1Cc2cc(N)ccc2NC1=O | |
What is the building block token for the following molecule? | CN1Cc2cc(N)ccc2NC1=O | <BB_1399> |
What is the molecular formula for <BB_1399>? | The molecular formula for <BB_1399> (CN1Cc2cc(N)ccc2NC1=O) is C9H11N3O. | |
Describe the ring structures in building block <BB_1399>. | 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_1399>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1399>. | **Token:** <BB_1399>
**SMILES:** CN1Cc2cc(N)ccc2NC1=O
**Molecular Formula:** C9H11N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide |
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