instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9400>. | Cl.O=[N+]([O-])c1cccc2c1CNC2 | |
What is the building block token for the following molecule? | Cl.O=[N+]([O-])c1cccc2c1CNC2 | <BB_9400> |
What is the molecular formula for <BB_9400>? | The molecular formula for <BB_9400> (Cl.O=[N+]([O-])c1cccc2c1CNC2) is C8H9ClN2O2. | |
Describe the ring structures in building block <BB_9400>. | 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_9400>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9400>. | **Token:** <BB_9400>
**SMILES:** Cl.O=[N+]([O-])c1cccc2c1CNC2
**Molecular Formula:** C8H9ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9401>. | CN(C)C(=S)Oc1cccc(C=O)c1 | |
What is the building block token for the following molecule? | CN(C)C(=S)Oc1cccc(C=O)c1 | <BB_9401> |
What is the molecular formula for <BB_9401>? | The molecular formula for <BB_9401> (CN(C)C(=S)Oc1cccc(C=O)c1) is C10H11NO2S. | |
Describe the ring structures in building block <BB_9401>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9401>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9401>. | **Token:** <BB_9401>
**SMILES:** CN(C)C(=S)Oc1cccc(C=O)c1
**Molecular Formula:** C10H11NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9402>. | Cl.Cl.NCc1ccc(-c2ncc[nH]2)cc1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1ccc(-c2ncc[nH]2)cc1 | <BB_9402> |
What is the molecular formula for <BB_9402>? | The molecular formula for <BB_9402> (Cl.Cl.NCc1ccc(-c2ncc[nH]2)cc1) is C10H13Cl2N3. | |
Describe the ring structures in building block <BB_9402>. | 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_9402>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9402>. | **Token:** <BB_9402>
**SMILES:** Cl.Cl.NCc1ccc(-c2ncc[nH]2)cc1
**Molecular Formula:** C10H13Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9403>. | Cn1nnnc1-c1cccc(S(N)(=O)=O)c1 | |
What is the building block token for the following molecule? | Cn1nnnc1-c1cccc(S(N)(=O)=O)c1 | <BB_9403> |
What is the molecular formula for <BB_9403>? | The molecular formula for <BB_9403> (Cn1nnnc1-c1cccc(S(N)(=O)=O)c1) is C8H9N5O2S. | |
Describe the ring structures in building block <BB_9403>. | 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_9403>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9403>. | **Token:** <BB_9403>
**SMILES:** Cn1nnnc1-c1cccc(S(N)(=O)=O)c1
**Molecular Formula:** C8H9N5O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9404>. | O=C(NC1(C(=O)CBr)CCCC1)C(F)(F)F | |
What is the building block token for the following molecule? | O=C(NC1(C(=O)CBr)CCCC1)C(F)(F)F | <BB_9404> |
What is the molecular formula for <BB_9404>? | The molecular formula for <BB_9404> (O=C(NC1(C(=O)CBr)CCCC1)C(F)(F)F) is C9H11BrF3NO2. | |
Describe the ring structures in building block <BB_9404>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9404>. | The molecule contains the following groups: Amide, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9404>. | **Token:** <BB_9404>
**SMILES:** O=C(NC1(C(=O)CBr)CCCC1)C(F)(F)F
**Molecular Formula:** C9H11BrF3NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9405>. | CO[Si](CCCn1ccnc1)(OC)OC | |
What is the building block token for the following molecule? | CO[Si](CCCn1ccnc1)(OC)OC | <BB_9405> |
What is the molecular formula for <BB_9405>? | The molecular formula for <BB_9405> (CO[Si](CCCn1ccnc1)(OC)OC) is C9H18N2O3Si. | |
Describe the ring structures in building block <BB_9405>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9405>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9405>. | **Token:** <BB_9405>
**SMILES:** CO[Si](CCCn1ccnc1)(OC)OC
**Molecular Formula:** C9H18N2O3Si
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9406>. | Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1 | |
What is the building block token for the following molecule? | Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1 | <BB_9406> |
What is the molecular formula for <BB_9406>? | The molecular formula for <BB_9406> (Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1) is C11H13F3N2O2S. | |
Describe the ring structures in building block <BB_9406>. | 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_9406>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9406>. | **Token:** <BB_9406>
**SMILES:** Nc1cc(C(F)(F)F)ccc1N1CCS(=O)(=O)CC1
**Molecular Formula:** C11H13F3N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9407>. | Cc1c(F)cccc1CCN.Cl | |
What is the building block token for the following molecule? | Cc1c(F)cccc1CCN.Cl | <BB_9407> |
What is the molecular formula for <BB_9407>? | The molecular formula for <BB_9407> (Cc1c(F)cccc1CCN.Cl) is C9H13ClFN. | |
Describe the ring structures in building block <BB_9407>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9407>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9407>. | **Token:** <BB_9407>
**SMILES:** Cc1c(F)cccc1CCN.Cl
**Molecular Formula:** C9H13ClFN
**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_9408>. | CC1(C)C2CCC13CCNC3C2.Cl | |
What is the building block token for the following molecule? | CC1(C)C2CCC13CCNC3C2.Cl | <BB_9408> |
What is the molecular formula for <BB_9408>? | The molecular formula for <BB_9408> (CC1(C)C2CCC13CCNC3C2.Cl) is C11H20ClN. | |
Describe the ring structures in building block <BB_9408>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9408>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9408>. | **Token:** <BB_9408>
**SMILES:** CC1(C)C2CCC13CCNC3C2.Cl
**Molecular Formula:** C11H20ClN
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9409>. | Cn1nc(C(=O)O)c2c1CCOC2 | |
What is the building block token for the following molecule? | Cn1nc(C(=O)O)c2c1CCOC2 | <BB_9409> |
What is the molecular formula for <BB_9409>? | The molecular formula for <BB_9409> (Cn1nc(C(=O)O)c2c1CCOC2) is C8H10N2O3. | |
Describe the ring structures in building block <BB_9409>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9409>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9409>. | **Token:** <BB_9409>
**SMILES:** Cn1nc(C(=O)O)c2c1CCOC2
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9410>. | CC(c1cccnc1)S(N)(=O)=O | |
What is the building block token for the following molecule? | CC(c1cccnc1)S(N)(=O)=O | <BB_9410> |
What is the molecular formula for <BB_9410>? | The molecular formula for <BB_9410> (CC(c1cccnc1)S(N)(=O)=O) is C7H10N2O2S. | |
Describe the ring structures in building block <BB_9410>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9410>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9410>. | **Token:** <BB_9410>
**SMILES:** CC(c1cccnc1)S(N)(=O)=O
**Molecular Formula:** C7H10N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9411>. | Cl.N[C@H]1CC[C@H](I)CC1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1CC[C@H](I)CC1 | <BB_9411> |
What is the molecular formula for <BB_9411>? | The molecular formula for <BB_9411> (Cl.N[C@H]1CC[C@H](I)CC1) is C6H13ClIN. | |
Describe the ring structures in building block <BB_9411>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9411>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9411>. | **Token:** <BB_9411>
**SMILES:** Cl.N[C@H]1CC[C@H](I)CC1
**Molecular Formula:** C6H13ClIN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9412>. | Cc1ccc(N2CCCC2)c(N)c1 | |
What is the building block token for the following molecule? | Cc1ccc(N2CCCC2)c(N)c1 | <BB_9412> |
What is the molecular formula for <BB_9412>? | The molecular formula for <BB_9412> (Cc1ccc(N2CCCC2)c(N)c1) is C11H16N2. | |
Describe the ring structures in building block <BB_9412>. | 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_9412>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9412>. | **Token:** <BB_9412>
**SMILES:** Cc1ccc(N2CCCC2)c(N)c1
**Molecular Formula:** C11H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9413>. | Nc1cccc(-c2ncc3n2CCCC3)c1 | |
What is the building block token for the following molecule? | Nc1cccc(-c2ncc3n2CCCC3)c1 | <BB_9413> |
What is the molecular formula for <BB_9413>? | The molecular formula for <BB_9413> (Nc1cccc(-c2ncc3n2CCCC3)c1) is C13H15N3. | |
Describe the ring structures in building block <BB_9413>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9413>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9413>. | **Token:** <BB_9413>
**SMILES:** Nc1cccc(-c2ncc3n2CCCC3)c1
**Molecular Formula:** C13H15N3
**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 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9414>. | O=C(CCC1CCCCC1)N1CCOCC1 | |
What is the building block token for the following molecule? | O=C(CCC1CCCCC1)N1CCOCC1 | <BB_9414> |
What is the molecular formula for <BB_9414>? | The molecular formula for <BB_9414> (O=C(CCC1CCCCC1)N1CCOCC1) is C13H23NO2. | |
Describe the ring structures in building block <BB_9414>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9414>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9414>. | **Token:** <BB_9414>
**SMILES:** O=C(CCC1CCCCC1)N1CCOCC1
**Molecular Formula:** C13H23NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9415>. | NN1CCc2ccc(F)cc21 | |
What is the building block token for the following molecule? | NN1CCc2ccc(F)cc21 | <BB_9415> |
What is the molecular formula for <BB_9415>? | The molecular formula for <BB_9415> (NN1CCc2ccc(F)cc21) is C8H9FN2. | |
Describe the ring structures in building block <BB_9415>. | 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_9415>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9415>. | **Token:** <BB_9415>
**SMILES:** NN1CCc2ccc(F)cc21
**Molecular Formula:** C8H9FN2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9416>. | O=C(O)c1cc(F)cnc1NC1CC(F)(F)C1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(F)cnc1NC1CC(F)(F)C1 | <BB_9416> |
What is the molecular formula for <BB_9416>? | The molecular formula for <BB_9416> (O=C(O)c1cc(F)cnc1NC1CC(F)(F)C1) is C10H9F3N2O2. | |
Describe the ring structures in building block <BB_9416>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. |
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