instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2866>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2866>. | **Token:** <BB_2866>
**SMILES:** Nc1cc(CC2CCCCC2)n[nH]1
**Molecular Formula:** C10H17N3
**Ring System:** The molecule contains 2 ring(s): 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_2867>. | O=c1c2ccccc2oc2ncccc12 | |
What is the building block token for the following molecule? | O=c1c2ccccc2oc2ncccc12 | <BB_2867> |
What is the molecular formula for <BB_2867>? | The molecular formula for <BB_2867> (O=c1c2ccccc2oc2ncccc12) is C12H7NO2. | |
Describe the ring structures in building block <BB_2867>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2867>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2867>. | **Token:** <BB_2867>
**SMILES:** O=c1c2ccccc2oc2ncccc12
**Molecular Formula:** C12H7NO2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2868>. | O=C(CCl)NCc1ccccc1Cl | |
What is the building block token for the following molecule? | O=C(CCl)NCc1ccccc1Cl | <BB_2868> |
What is the molecular formula for <BB_2868>? | The molecular formula for <BB_2868> (O=C(CCl)NCc1ccccc1Cl) is C9H9Cl2NO. | |
Describe the ring structures in building block <BB_2868>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2868>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2868>. | **Token:** <BB_2868>
**SMILES:** O=C(CCl)NCc1ccccc1Cl
**Molecular Formula:** C9H9Cl2NO
**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_2869>. | CCn1cc(CNc2ccccc2C(=O)O)cn1 | |
What is the building block token for the following molecule? | CCn1cc(CNc2ccccc2C(=O)O)cn1 | <BB_2869> |
What is the molecular formula for <BB_2869>? | The molecular formula for <BB_2869> (CCn1cc(CNc2ccccc2C(=O)O)cn1) is C13H15N3O2. | |
Describe the ring structures in building block <BB_2869>. | 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_2869>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2869>. | **Token:** <BB_2869>
**SMILES:** CCn1cc(CNc2ccccc2C(=O)O)cn1
**Molecular Formula:** C13H15N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2870>. | CC(=O)c1nc2cc(Cl)ccc2n1C | |
What is the building block token for the following molecule? | CC(=O)c1nc2cc(Cl)ccc2n1C | <BB_2870> |
What is the molecular formula for <BB_2870>? | The molecular formula for <BB_2870> (CC(=O)c1nc2cc(Cl)ccc2n1C) is C10H9ClN2O. | |
Describe the ring structures in building block <BB_2870>. | 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_2870>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2870>. | **Token:** <BB_2870>
**SMILES:** CC(=O)c1nc2cc(Cl)ccc2n1C
**Molecular Formula:** C10H9ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2871>. | CC(C)(C)OC(=O)C(N)Cc1ccc(C#N)nc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C(N)Cc1ccc(C#N)nc1 | <BB_2871> |
What is the molecular formula for <BB_2871>? | The molecular formula for <BB_2871> (CC(C)(C)OC(=O)C(N)Cc1ccc(C#N)nc1) is C13H17N3O2. | |
Describe the ring structures in building block <BB_2871>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2871>. | The molecule contains the following groups: Amine, Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2871>. | **Token:** <BB_2871>
**SMILES:** CC(C)(C)OC(=O)C(N)Cc1ccc(C#N)nc1
**Molecular Formula:** C13H17N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2872>. | Cl.Nc1cc(C=O)ccn1 | |
What is the building block token for the following molecule? | Cl.Nc1cc(C=O)ccn1 | <BB_2872> |
What is the molecular formula for <BB_2872>? | The molecular formula for <BB_2872> (Cl.Nc1cc(C=O)ccn1) is C6H7ClN2O. | |
Describe the ring structures in building block <BB_2872>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2872>. | The molecule contains the following groups: Amine, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2872>. | **Token:** <BB_2872>
**SMILES:** Cl.Nc1cc(C=O)ccn1
**Molecular Formula:** C6H7ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2873>. | Cc1cc2ncc(F)cc2[nH]1 | |
What is the building block token for the following molecule? | Cc1cc2ncc(F)cc2[nH]1 | <BB_2873> |
What is the molecular formula for <BB_2873>? | The molecular formula for <BB_2873> (Cc1cc2ncc(F)cc2[nH]1) is C8H7FN2. | |
Describe the ring structures in building block <BB_2873>. | 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_2873>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2873>. | **Token:** <BB_2873>
**SMILES:** Cc1cc2ncc(F)cc2[nH]1
**Molecular Formula:** C8H7FN2
**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_2874>. | COc1nc(I)cs1 | |
What is the building block token for the following molecule? | COc1nc(I)cs1 | <BB_2874> |
What is the molecular formula for <BB_2874>? | The molecular formula for <BB_2874> (COc1nc(I)cs1) is C4H4INOS. | |
Describe the ring structures in building block <BB_2874>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2874>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2874>. | **Token:** <BB_2874>
**SMILES:** COc1nc(I)cs1
**Molecular Formula:** C4H4INOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2875>. | N#CC1(c2ccncc2)CCCCC1 | |
What is the building block token for the following molecule? | N#CC1(c2ccncc2)CCCCC1 | <BB_2875> |
What is the molecular formula for <BB_2875>? | The molecular formula for <BB_2875> (N#CC1(c2ccncc2)CCCCC1) is C12H14N2. | |
Describe the ring structures in building block <BB_2875>. | 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_2875>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2875>. | **Token:** <BB_2875>
**SMILES:** N#CC1(c2ccncc2)CCCCC1
**Molecular Formula:** C12H14N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2876>. | COc1cccc(NN)n1.Cl | |
What is the building block token for the following molecule? | COc1cccc(NN)n1.Cl | <BB_2876> |
What is the molecular formula for <BB_2876>? | The molecular formula for <BB_2876> (COc1cccc(NN)n1.Cl) is C6H10ClN3O. | |
Describe the ring structures in building block <BB_2876>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2876>. | The molecule contains the following groups: Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2876>. | **Token:** <BB_2876>
**SMILES:** COc1cccc(NN)n1.Cl
**Molecular Formula:** C6H10ClN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2877>. | O=C1CC(Nc2ccccc2)=NN1 | |
What is the building block token for the following molecule? | O=C1CC(Nc2ccccc2)=NN1 | <BB_2877> |
What is the molecular formula for <BB_2877>? | The molecular formula for <BB_2877> (O=C1CC(Nc2ccccc2)=NN1) is C9H9N3O. | |
Describe the ring structures in building block <BB_2877>. | 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_2877>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2877>. | **Token:** <BB_2877>
**SMILES:** O=C1CC(Nc2ccccc2)=NN1
**Molecular Formula:** C9H9N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2878>. | Cl.O=C1CNc2ncc(Br)cc2N1 | |
What is the building block token for the following molecule? | Cl.O=C1CNc2ncc(Br)cc2N1 | <BB_2878> |
What is the molecular formula for <BB_2878>? | The molecular formula for <BB_2878> (Cl.O=C1CNc2ncc(Br)cc2N1) is C7H7BrClN3O. | |
Describe the ring structures in building block <BB_2878>. | 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_2878>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2878>. | **Token:** <BB_2878>
**SMILES:** Cl.O=C1CNc2ncc(Br)cc2N1
**Molecular Formula:** C7H7BrClN3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2879>. | COC(=O)/C=C/c1cccc(F)c1 | |
What is the building block token for the following molecule? | COC(=O)/C=C/c1cccc(F)c1 | <BB_2879> |
What is the molecular formula for <BB_2879>? | The molecular formula for <BB_2879> (COC(=O)/C=C/c1cccc(F)c1) is C10H9FO2. | |
Describe the ring structures in building block <BB_2879>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2879>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2879>. | **Token:** <BB_2879>
**SMILES:** COC(=O)/C=C/c1cccc(F)c1
**Molecular Formula:** C10H9FO2
**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_2880>. | N#Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 | <BB_2880> |
What is the molecular formula for <BB_2880>? | The molecular formula for <BB_2880> (N#Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1) is C14H7F2N3. | |
Describe the ring structures in building block <BB_2880>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2880>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2880>. | **Token:** <BB_2880>
**SMILES:** N#Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1
**Molecular Formula:** C14H7F2N3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2881>. | COc1ccc2c(C)ccnc2c1 | |
What is the building block token for the following molecule? | COc1ccc2c(C)ccnc2c1 | <BB_2881> |
What is the molecular formula for <BB_2881>? | The molecular formula for <BB_2881> (COc1ccc2c(C)ccnc2c1) is C11H11NO. | |
Describe the ring structures in building block <BB_2881>. | 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_2881>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2881>. | **Token:** <BB_2881>
**SMILES:** COc1ccc2c(C)ccnc2c1
**Molecular Formula:** C11H11NO
**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_2882>. | Cl.NCCc1csnn1 | |
What is the building block token for the following molecule? | Cl.NCCc1csnn1 | <BB_2882> |
What is the molecular formula for <BB_2882>? | The molecular formula for <BB_2882> (Cl.NCCc1csnn1) is C4H8ClN3S. | |
Describe the ring structures in building block <BB_2882>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2882>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2882>. | **Token:** <BB_2882>
**SMILES:** Cl.NCCc1csnn1
**Molecular Formula:** C4H8ClN3S
**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_2883>. | CCC(C)(C)C(=O)C(=O)O | |
What is the building block token for the following molecule? | CCC(C)(C)C(=O)C(=O)O | <BB_2883> |
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