instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1483>? | The molecular formula for <BB_1483> (Cl.c1ccc2c(c1)CC(C1CC1)N2) is C11H14ClN. | |
Describe the ring structures in building block <BB_1483>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1483>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1483>. | **Token:** <BB_1483>
**SMILES:** Cl.c1ccc2c(c1)CC(C1CC1)N2
**Molecular Formula:** C11H14ClN
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1484>. | Cl.N#Cc1c(N)cccc1OC(F)(F)F | |
What is the building block token for the following molecule? | Cl.N#Cc1c(N)cccc1OC(F)(F)F | <BB_1484> |
What is the molecular formula for <BB_1484>? | The molecular formula for <BB_1484> (Cl.N#Cc1c(N)cccc1OC(F)(F)F) is C8H6ClF3N2O. | |
Describe the ring structures in building block <BB_1484>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1484>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1484>. | **Token:** <BB_1484>
**SMILES:** Cl.N#Cc1c(N)cccc1OC(F)(F)F
**Molecular Formula:** C8H6ClF3N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1485>. | O=C1OC(=O)[C@@H]2CCC[C@H]12 | |
What is the building block token for the following molecule? | O=C1OC(=O)[C@@H]2CCC[C@H]12 | <BB_1485> |
What is the molecular formula for <BB_1485>? | The molecular formula for <BB_1485> (O=C1OC(=O)[C@@H]2CCC[C@H]12) is C7H8O3. | |
Describe the ring structures in building block <BB_1485>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1485>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1485>. | **Token:** <BB_1485>
**SMILES:** O=C1OC(=O)[C@@H]2CCC[C@H]12
**Molecular Formula:** C7H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1486>. | CCOC(=O)COc1cc(C(F)(F)F)nn1C | |
What is the building block token for the following molecule? | CCOC(=O)COc1cc(C(F)(F)F)nn1C | <BB_1486> |
What is the molecular formula for <BB_1486>? | The molecular formula for <BB_1486> (CCOC(=O)COc1cc(C(F)(F)F)nn1C) is C9H11F3N2O3. | |
Describe the ring structures in building block <BB_1486>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1486>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1486>. | **Token:** <BB_1486>
**SMILES:** CCOC(=O)COc1cc(C(F)(F)F)nn1C
**Molecular Formula:** C9H11F3N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1487>. | COCCc1noc(CN)n1.Cl | |
What is the building block token for the following molecule? | COCCc1noc(CN)n1.Cl | <BB_1487> |
What is the molecular formula for <BB_1487>? | The molecular formula for <BB_1487> (COCCc1noc(CN)n1.Cl) is C6H12ClN3O2. | |
Describe the ring structures in building block <BB_1487>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1487>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1487>. | **Token:** <BB_1487>
**SMILES:** COCCc1noc(CN)n1.Cl
**Molecular Formula:** C6H12ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1488>. | Cn1nc(C(F)F)nc1C(=O)[O-].[Li+] | |
What is the building block token for the following molecule? | Cn1nc(C(F)F)nc1C(=O)[O-].[Li+] | <BB_1488> |
What is the molecular formula for <BB_1488>? | The molecular formula for <BB_1488> (Cn1nc(C(F)F)nc1C(=O)[O-].[Li+]) is C5H4F2LiN3O2. | |
Describe the ring structures in building block <BB_1488>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1488>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1488>. | **Token:** <BB_1488>
**SMILES:** Cn1nc(C(F)F)nc1C(=O)[O-].[Li+]
**Molecular Formula:** C5H4F2LiN3O2
**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_1489>. | O=C1CCN(C2CC2)CC1 | |
What is the building block token for the following molecule? | O=C1CCN(C2CC2)CC1 | <BB_1489> |
What is the molecular formula for <BB_1489>? | The molecular formula for <BB_1489> (O=C1CCN(C2CC2)CC1) is C8H13NO. | |
Describe the ring structures in building block <BB_1489>. | 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_1489>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1489>. | **Token:** <BB_1489>
**SMILES:** O=C1CCN(C2CC2)CC1
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_1490>. | Cn1ccc2cc(S(=O)(=O)Cl)cnc21 | |
What is the building block token for the following molecule? | Cn1ccc2cc(S(=O)(=O)Cl)cnc21 | <BB_1490> |
What is the molecular formula for <BB_1490>? | The molecular formula for <BB_1490> (Cn1ccc2cc(S(=O)(=O)Cl)cnc21) is C8H7ClN2O2S. | |
Describe the ring structures in building block <BB_1490>. | 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_1490>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1490>. | **Token:** <BB_1490>
**SMILES:** Cn1ccc2cc(S(=O)(=O)Cl)cnc21
**Molecular Formula:** C8H7ClN2O2S
**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_1491>. | Br.CS(=O)(=O)SCCN | |
What is the building block token for the following molecule? | Br.CS(=O)(=O)SCCN | <BB_1491> |
What is the molecular formula for <BB_1491>? | The molecular formula for <BB_1491> (Br.CS(=O)(=O)SCCN) is C3H10BrNO2S2. | |
Describe the ring structures in building block <BB_1491>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1491>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1491>. | **Token:** <BB_1491>
**SMILES:** Br.CS(=O)(=O)SCCN
**Molecular Formula:** C3H10BrNO2S2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1492>. | CC1(C)C2C(=O)N(c3ccc(Br)cc3N)C(=O)C21 | |
What is the building block token for the following molecule? | CC1(C)C2C(=O)N(c3ccc(Br)cc3N)C(=O)C21 | <BB_1492> |
What is the molecular formula for <BB_1492>? | The molecular formula for <BB_1492> (CC1(C)C2C(=O)N(c3ccc(Br)cc3N)C(=O)C21) is C13H13BrN2O2. | |
Describe the ring structures in building block <BB_1492>. | The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1492>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1492>. | **Token:** <BB_1492>
**SMILES:** CC1(C)C2C(=O)N(c3ccc(Br)cc3N)C(=O)C21
**Molecular Formula:** C13H13BrN2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1493>. | O=C(c1ccccc1)c1cccc(Br)n1 | |
What is the building block token for the following molecule? | O=C(c1ccccc1)c1cccc(Br)n1 | <BB_1493> |
What is the molecular formula for <BB_1493>? | The molecular formula for <BB_1493> (O=C(c1ccccc1)c1cccc(Br)n1) is C12H8BrNO. | |
Describe the ring structures in building block <BB_1493>. | 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_1493>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1493>. | **Token:** <BB_1493>
**SMILES:** O=C(c1ccccc1)c1cccc(Br)n1
**Molecular Formula:** C12H8BrNO
**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_1494>. | CCOC(=O)CC1(O)COC1 | |
What is the building block token for the following molecule? | CCOC(=O)CC1(O)COC1 | <BB_1494> |
What is the molecular formula for <BB_1494>? | The molecular formula for <BB_1494> (CCOC(=O)CC1(O)COC1) is C7H12O4. | |
Describe the ring structures in building block <BB_1494>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1494>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1494>. | **Token:** <BB_1494>
**SMILES:** CCOC(=O)CC1(O)COC1
**Molecular Formula:** C7H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1495>. | CC(C)(C)c1ncncc1C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)c1ncncc1C(=O)O | <BB_1495> |
What is the molecular formula for <BB_1495>? | The molecular formula for <BB_1495> (CC(C)(C)c1ncncc1C(=O)O) is C9H12N2O2. | |
Describe the ring structures in building block <BB_1495>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1495>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1495>. | **Token:** <BB_1495>
**SMILES:** CC(C)(C)c1ncncc1C(=O)O
**Molecular Formula:** C9H12N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1496>. | CC(C)(C)OC(=O)N1CCCC[C@]12C[C@H](C(=O)O)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC[C@]12C[C@H](C(=O)O)C2 | <BB_1496> |
What is the molecular formula for <BB_1496>? | The molecular formula for <BB_1496> (CC(C)(C)OC(=O)N1CCCC[C@]12C[C@H](C(=O)O)C2) is C14H23NO4. | |
Describe the ring structures in building block <BB_1496>. | 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_1496>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1496>. | **Token:** <BB_1496>
**SMILES:** CC(C)(C)OC(=O)N1CCCC[C@]12C[C@H](C(=O)O)C2
**Molecular Formula:** C14H23NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1497>. | CNCCC(C)(C)c1ccccc1.Cl | |
What is the building block token for the following molecule? | CNCCC(C)(C)c1ccccc1.Cl | <BB_1497> |
What is the molecular formula for <BB_1497>? | The molecular formula for <BB_1497> (CNCCC(C)(C)c1ccccc1.Cl) is C12H20ClN. | |
Describe the ring structures in building block <BB_1497>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1497>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1497>. | **Token:** <BB_1497>
**SMILES:** CNCCC(C)(C)c1ccccc1.Cl
**Molecular Formula:** C12H20ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1498>. | CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1 | <BB_1498> |
What is the molecular formula for <BB_1498>? | The molecular formula for <BB_1498> (CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1) is C13H20BrN3O2. | |
Describe the ring structures in building block <BB_1498>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1498>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1498>. | **Token:** <BB_1498>
**SMILES:** CC(C)(C)OC(=O)N1CCC(n2ccc(Br)n2)CC1
**Molecular Formula:** C13H20BrN3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1499>. | CNC1CCCN(Cc2noc(C3CC3)n2)C1.Cl | |
What is the building block token for the following molecule? | CNC1CCCN(Cc2noc(C3CC3)n2)C1.Cl | <BB_1499> |
What is the molecular formula for <BB_1499>? | The molecular formula for <BB_1499> (CNC1CCCN(Cc2noc(C3CC3)n2)C1.Cl) is C12H21ClN4O. | |
Describe the ring structures in building block <BB_1499>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1499>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1499>. | **Token:** <BB_1499>
**SMILES:** CNC1CCCN(Cc2noc(C3CC3)n2)C1.Cl
**Molecular Formula:** C12H21ClN4O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) |
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