instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_933>? | The molecular formula for <BB_933> (Cc1cnc(NC(=O)c2ccc(Br)o2)s1) is C9H7BrN2O2S. | |
Describe the ring structures in building block <BB_933>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_933>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_933>. | **Token:** <BB_933>
**SMILES:** Cc1cnc(NC(=O)c2ccc(Br)o2)s1
**Molecular Formula:** C9H7BrN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_934>. | O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 | <BB_934> |
What is the molecular formula for <BB_934>? | The molecular formula for <BB_934> (O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1) is C12H7F3O3S. | |
Describe the ring structures in building block <BB_934>. | 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_934>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_934>. | **Token:** <BB_934>
**SMILES:** O=C(O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1
**Molecular Formula:** C12H7F3O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_935>. | Nc1cc2nc(Cl)ccc2cc1Br | |
What is the building block token for the following molecule? | Nc1cc2nc(Cl)ccc2cc1Br | <BB_935> |
What is the molecular formula for <BB_935>? | The molecular formula for <BB_935> (Nc1cc2nc(Cl)ccc2cc1Br) is C9H6BrClN2. | |
Describe the ring structures in building block <BB_935>. | 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_935>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_935>. | **Token:** <BB_935>
**SMILES:** Nc1cc2nc(Cl)ccc2cc1Br
**Molecular Formula:** C9H6BrClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_936>. | C[Si](C)(C)C(F)(F)F | |
What is the building block token for the following molecule? | C[Si](C)(C)C(F)(F)F | <BB_936> |
What is the molecular formula for <BB_936>? | The molecular formula for <BB_936> (C[Si](C)(C)C(F)(F)F) is C4H9F3Si. | |
Describe the ring structures in building block <BB_936>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_936>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_936>. | **Token:** <BB_936>
**SMILES:** C[Si](C)(C)C(F)(F)F
**Molecular Formula:** C4H9F3Si
**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_937>. | CC(C)(C)OC(=O)N1C[C@]2(CCCOC2)C[C@H]1CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@]2(CCCOC2)C[C@H]1CO | <BB_937> |
What is the molecular formula for <BB_937>? | The molecular formula for <BB_937> (CC(C)(C)OC(=O)N1C[C@]2(CCCOC2)C[C@H]1CO) is C14H25NO4. | |
Describe the ring structures in building block <BB_937>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_937>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_937>. | **Token:** <BB_937>
**SMILES:** CC(C)(C)OC(=O)N1C[C@]2(CCCOC2)C[C@H]1CO
**Molecular Formula:** C14H25NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_938>. | Nc1ccc(S(=O)(=O)F)cc1 | |
What is the building block token for the following molecule? | Nc1ccc(S(=O)(=O)F)cc1 | <BB_938> |
What is the molecular formula for <BB_938>? | The molecular formula for <BB_938> (Nc1ccc(S(=O)(=O)F)cc1) is C6H6FNO2S. | |
Describe the ring structures in building block <BB_938>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_938>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_938>. | **Token:** <BB_938>
**SMILES:** Nc1ccc(S(=O)(=O)F)cc1
**Molecular Formula:** C6H6FNO2S
**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_939>. | Cc1c(C(=O)O)sc2nc[nH]c(=O)c12 | |
What is the building block token for the following molecule? | Cc1c(C(=O)O)sc2nc[nH]c(=O)c12 | <BB_939> |
What is the molecular formula for <BB_939>? | The molecular formula for <BB_939> (Cc1c(C(=O)O)sc2nc[nH]c(=O)c12) is C8H6N2O3S. | |
Describe the ring structures in building block <BB_939>. | 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_939>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_939>. | **Token:** <BB_939>
**SMILES:** Cc1c(C(=O)O)sc2nc[nH]c(=O)c12
**Molecular Formula:** C8H6N2O3S
**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_940>. | CNCCI.I | |
What is the building block token for the following molecule? | CNCCI.I | <BB_940> |
What is the molecular formula for <BB_940>? | The molecular formula for <BB_940> (CNCCI.I) is C3H9I2N. | |
Describe the ring structures in building block <BB_940>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_940>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_940>. | **Token:** <BB_940>
**SMILES:** CNCCI.I
**Molecular Formula:** C3H9I2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_941>. | CCC(=O)NC=C(Cl)Cl | |
What is the building block token for the following molecule? | CCC(=O)NC=C(Cl)Cl | <BB_941> |
What is the molecular formula for <BB_941>? | The molecular formula for <BB_941> (CCC(=O)NC=C(Cl)Cl) is C5H7Cl2NO. | |
Describe the ring structures in building block <BB_941>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_941>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_941>. | **Token:** <BB_941>
**SMILES:** CCC(=O)NC=C(Cl)Cl
**Molecular Formula:** C5H7Cl2NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_942>. | Oc1cc(Cl)ccc1F | |
What is the building block token for the following molecule? | Oc1cc(Cl)ccc1F | <BB_942> |
What is the molecular formula for <BB_942>? | The molecular formula for <BB_942> (Oc1cc(Cl)ccc1F) is C6H4ClFO. | |
Describe the ring structures in building block <BB_942>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_942>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_942>. | **Token:** <BB_942>
**SMILES:** Oc1cc(Cl)ccc1F
**Molecular Formula:** C6H4ClFO
**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_943>. | CC(CO)C1CCCOC1 | |
What is the building block token for the following molecule? | CC(CO)C1CCCOC1 | <BB_943> |
What is the molecular formula for <BB_943>? | The molecular formula for <BB_943> (CC(CO)C1CCCOC1) is C8H16O2. | |
Describe the ring structures in building block <BB_943>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_943>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_943>. | **Token:** <BB_943>
**SMILES:** CC(CO)C1CCCOC1
**Molecular Formula:** C8H16O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_944>. | Cc1ccc(C[C@@H](N)CO)cc1.Cl | |
What is the building block token for the following molecule? | Cc1ccc(C[C@@H](N)CO)cc1.Cl | <BB_944> |
What is the molecular formula for <BB_944>? | The molecular formula for <BB_944> (Cc1ccc(C[C@@H](N)CO)cc1.Cl) is C10H16ClNO. | |
Describe the ring structures in building block <BB_944>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_944>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_944>. | **Token:** <BB_944>
**SMILES:** Cc1ccc(C[C@@H](N)CO)cc1.Cl
**Molecular Formula:** C10H16ClNO
**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_945>. | Cl.Cl.NC[C@@H]1CCCCN1 | |
What is the building block token for the following molecule? | Cl.Cl.NC[C@@H]1CCCCN1 | <BB_945> |
What is the molecular formula for <BB_945>? | The molecular formula for <BB_945> (Cl.Cl.NC[C@@H]1CCCCN1) is C6H16Cl2N2. | |
Describe the ring structures in building block <BB_945>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_945>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_945>. | **Token:** <BB_945>
**SMILES:** Cl.Cl.NC[C@@H]1CCCCN1
**Molecular Formula:** C6H16Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_946>. | Nc1nc(F)ccc1-c1ccc(F)nc1N | |
What is the building block token for the following molecule? | Nc1nc(F)ccc1-c1ccc(F)nc1N | <BB_946> |
What is the molecular formula for <BB_946>? | The molecular formula for <BB_946> (Nc1nc(F)ccc1-c1ccc(F)nc1N) is C10H8F2N4. | |
Describe the ring structures in building block <BB_946>. | 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_946>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_946>. | **Token:** <BB_946>
**SMILES:** Nc1nc(F)ccc1-c1ccc(F)nc1N
**Molecular Formula:** C10H8F2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_947>. | CN(Cc1ccccc1)C(=O)C(F)(F)F | |
What is the building block token for the following molecule? | CN(Cc1ccccc1)C(=O)C(F)(F)F | <BB_947> |
What is the molecular formula for <BB_947>? | The molecular formula for <BB_947> (CN(Cc1ccccc1)C(=O)C(F)(F)F) is C10H10F3NO. | |
Describe the ring structures in building block <BB_947>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_947>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_947>. | **Token:** <BB_947>
**SMILES:** CN(Cc1ccccc1)C(=O)C(F)(F)F
**Molecular Formula:** C10H10F3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_948>. | C#Cc1ccc(C(=O)OC(C)(C)C)c(F)c1F | |
What is the building block token for the following molecule? | C#Cc1ccc(C(=O)OC(C)(C)C)c(F)c1F | <BB_948> |
What is the molecular formula for <BB_948>? | The molecular formula for <BB_948> (C#Cc1ccc(C(=O)OC(C)(C)C)c(F)c1F) is C13H12F2O2. | |
Describe the ring structures in building block <BB_948>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_948>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_948>. | **Token:** <BB_948>
**SMILES:** C#Cc1ccc(C(=O)OC(C)(C)C)c(F)c1F
**Molecular Formula:** C13H12F2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_949>. | C1CNCC2(C1)CCO2.Cl | |
What is the building block token for the following molecule? | C1CNCC2(C1)CCO2.Cl | <BB_949> |
What is the molecular formula for <BB_949>? | The molecular formula for <BB_949> (C1CNCC2(C1)CCO2.Cl) is C7H14ClNO. | |
Describe the ring structures in building block <BB_949>. | 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_949>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_949>. | **Token:** <BB_949>
**SMILES:** C1CNCC2(C1)CCO2.Cl
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) |
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