instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_733>? | The molecular formula for <BB_733> (Clc1ccccc1-c1nnc(CNC2CC2)o1) is C12H12ClN3O. | |
Describe the ring structures in building block <BB_733>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_733>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_733>. | **Token:** <BB_733>
**SMILES:** Clc1ccccc1-c1nnc(CNC2CC2)o1
**Molecular Formula:** C12H12ClN3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic 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_734>. | COC(=O)c1cccc(Cl)c1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | COC(=O)c1cccc(Cl)c1S(=O)(=O)Cl | <BB_734> |
What is the molecular formula for <BB_734>? | The molecular formula for <BB_734> (COC(=O)c1cccc(Cl)c1S(=O)(=O)Cl) is C8H6Cl2O4S. | |
Describe the ring structures in building block <BB_734>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_734>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_734>. | **Token:** <BB_734>
**SMILES:** COC(=O)c1cccc(Cl)c1S(=O)(=O)Cl
**Molecular Formula:** C8H6Cl2O4S
**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_735>. | Clc1cc(I)c(Cl)cn1 | |
What is the building block token for the following molecule? | Clc1cc(I)c(Cl)cn1 | <BB_735> |
What is the molecular formula for <BB_735>? | The molecular formula for <BB_735> (Clc1cc(I)c(Cl)cn1) is C5H2Cl2IN. | |
Describe the ring structures in building block <BB_735>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_735>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_735>. | **Token:** <BB_735>
**SMILES:** Clc1cc(I)c(Cl)cn1
**Molecular Formula:** C5H2Cl2IN
**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_736>. | C[C@@H](N)CS(N)(=O)=O.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)CS(N)(=O)=O.Cl | <BB_736> |
What is the molecular formula for <BB_736>? | The molecular formula for <BB_736> (C[C@@H](N)CS(N)(=O)=O.Cl) is C3H11ClN2O2S. | |
Describe the ring structures in building block <BB_736>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_736>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_736>. | **Token:** <BB_736>
**SMILES:** C[C@@H](N)CS(N)(=O)=O.Cl
**Molecular Formula:** C3H11ClN2O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_737>. | COC(=O)[C@@H]1CCc2ccccc2N1.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1CCc2ccccc2N1.Cl | <BB_737> |
What is the molecular formula for <BB_737>? | The molecular formula for <BB_737> (COC(=O)[C@@H]1CCc2ccccc2N1.Cl) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_737>. | 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_737>. | 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_737>. | **Token:** <BB_737>
**SMILES:** COC(=O)[C@@H]1CCc2ccccc2N1.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_738>. | Cl.Cl.NC[C@H]1C[C@@H](n2cncn2)C1 | |
What is the building block token for the following molecule? | Cl.Cl.NC[C@H]1C[C@@H](n2cncn2)C1 | <BB_738> |
What is the molecular formula for <BB_738>? | The molecular formula for <BB_738> (Cl.Cl.NC[C@H]1C[C@@H](n2cncn2)C1) is C7H14Cl2N4. | |
Describe the ring structures in building block <BB_738>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_738>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_738>. | **Token:** <BB_738>
**SMILES:** Cl.Cl.NC[C@H]1C[C@@H](n2cncn2)C1
**Molecular Formula:** C7H14Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_739>. | Cc1ccc(NCc2ccco2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(NCc2ccco2)cc1 | <BB_739> |
What is the molecular formula for <BB_739>? | The molecular formula for <BB_739> (Cc1ccc(NCc2ccco2)cc1) is C12H13NO. | |
Describe the ring structures in building block <BB_739>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_739>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_739>. | **Token:** <BB_739>
**SMILES:** Cc1ccc(NCc2ccco2)cc1
**Molecular Formula:** C12H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_740>. | COc1cc(Br)c(S(N)(=O)=O)cc1OC | |
What is the building block token for the following molecule? | COc1cc(Br)c(S(N)(=O)=O)cc1OC | <BB_740> |
What is the molecular formula for <BB_740>? | The molecular formula for <BB_740> (COc1cc(Br)c(S(N)(=O)=O)cc1OC) is C8H10BrNO4S. | |
Describe the ring structures in building block <BB_740>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_740>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_740>. | **Token:** <BB_740>
**SMILES:** COc1cc(Br)c(S(N)(=O)=O)cc1OC
**Molecular Formula:** C8H10BrNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_741>. | CNCc1nc2ccccc2n1C(F)F.Cl.Cl | |
What is the building block token for the following molecule? | CNCc1nc2ccccc2n1C(F)F.Cl.Cl | <BB_741> |
What is the molecular formula for <BB_741>? | The molecular formula for <BB_741> (CNCc1nc2ccccc2n1C(F)F.Cl.Cl) is C10H13Cl2F2N3. | |
Describe the ring structures in building block <BB_741>. | 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_741>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_741>. | **Token:** <BB_741>
**SMILES:** CNCc1nc2ccccc2n1C(F)F.Cl.Cl
**Molecular Formula:** C10H13Cl2F2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_742>. | Cl.Nc1nccc(Cl)c1Br | |
What is the building block token for the following molecule? | Cl.Nc1nccc(Cl)c1Br | <BB_742> |
What is the molecular formula for <BB_742>? | The molecular formula for <BB_742> (Cl.Nc1nccc(Cl)c1Br) is C5H5BrCl2N2. | |
Describe the ring structures in building block <BB_742>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_742>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_742>. | **Token:** <BB_742>
**SMILES:** Cl.Nc1nccc(Cl)c1Br
**Molecular Formula:** C5H5BrCl2N2
**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_743>. | C#Cc1ccc(OC2CC2)cc1 | |
What is the building block token for the following molecule? | C#Cc1ccc(OC2CC2)cc1 | <BB_743> |
What is the molecular formula for <BB_743>? | The molecular formula for <BB_743> (C#Cc1ccc(OC2CC2)cc1) is C11H10O. | |
Describe the ring structures in building block <BB_743>. | 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_743>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_743>. | **Token:** <BB_743>
**SMILES:** C#Cc1ccc(OC2CC2)cc1
**Molecular Formula:** C11H10O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_744>. | COc1ccc2c(c1)C(C)=CC2 | |
What is the building block token for the following molecule? | COc1ccc2c(c1)C(C)=CC2 | <BB_744> |
What is the molecular formula for <BB_744>? | The molecular formula for <BB_744> (COc1ccc2c(c1)C(C)=CC2) is C11H12O. | |
Describe the ring structures in building block <BB_744>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_744>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_744>. | **Token:** <BB_744>
**SMILES:** COc1ccc2c(c1)C(C)=CC2
**Molecular Formula:** C11H12O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_745>. | CCc1cc2cc(OC)ccc2[nH]c1=O | |
What is the building block token for the following molecule? | CCc1cc2cc(OC)ccc2[nH]c1=O | <BB_745> |
What is the molecular formula for <BB_745>? | The molecular formula for <BB_745> (CCc1cc2cc(OC)ccc2[nH]c1=O) is C12H13NO2. | |
Describe the ring structures in building block <BB_745>. | 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_745>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_745>. | **Token:** <BB_745>
**SMILES:** CCc1cc2cc(OC)ccc2[nH]c1=O
**Molecular Formula:** C12H13NO2
**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_746>. | Cc1coc(CN)n1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1coc(CN)n1.Cl.Cl | <BB_746> |
What is the molecular formula for <BB_746>? | The molecular formula for <BB_746> (Cc1coc(CN)n1.Cl.Cl) is C5H10Cl2N2O. | |
Describe the ring structures in building block <BB_746>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_746>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_746>. | **Token:** <BB_746>
**SMILES:** Cc1coc(CN)n1.Cl.Cl
**Molecular Formula:** C5H10Cl2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_747>. | CC(C)(C)OC(=O)NC12CC(C3CC3)(C1)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC12CC(C3CC3)(C1)C2 | <BB_747> |
What is the molecular formula for <BB_747>? | The molecular formula for <BB_747> (CC(C)(C)OC(=O)NC12CC(C3CC3)(C1)C2) is C13H21NO2. | |
Describe the ring structures in building block <BB_747>. | The molecule contains 4 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_747>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_747>. | **Token:** <BB_747>
**SMILES:** CC(C)(C)OC(=O)NC12CC(C3CC3)(C1)C2
**Molecular Formula:** C13H21NO2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_748>. | O=C(O)c1cccc2c(Br)cccc12 | |
What is the building block token for the following molecule? | O=C(O)c1cccc2c(Br)cccc12 | <BB_748> |
What is the molecular formula for <BB_748>? | The molecular formula for <BB_748> (O=C(O)c1cccc2c(Br)cccc12) is C11H7BrO2. | |
Describe the ring structures in building block <BB_748>. | 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_748>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_748>. | **Token:** <BB_748>
**SMILES:** O=C(O)c1cccc2c(Br)cccc12
**Molecular Formula:** C11H7BrO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_749>. | COc1cc2ccc(Br)cc2cn1 | |
What is the building block token for the following molecule? | COc1cc2ccc(Br)cc2cn1 | <BB_749> |
What is the molecular formula for <BB_749>? | The molecular formula for <BB_749> (COc1cc2ccc(Br)cc2cn1) is C10H8BrNO. | |
Describe the ring structures in building block <BB_749>. | 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_749>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_749>. | **Token:** <BB_749>
**SMILES:** COc1cc2ccc(Br)cc2cn1
**Molecular Formula:** C10H8BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) |
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