instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_3133>? | The molecular formula for <BB_3133> (Fc1nccc(Cl)c1I) is C5H2ClFIN. | |
Describe the ring structures in building block <BB_3133>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3133>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3133>. | **Token:** <BB_3133>
**SMILES:** Fc1nccc(Cl)c1I
**Molecular Formula:** C5H2ClFIN
**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_3134>. | CC(C)C(O)Cc1ccccc1 | |
What is the building block token for the following molecule? | CC(C)C(O)Cc1ccccc1 | <BB_3134> |
What is the molecular formula for <BB_3134>? | The molecular formula for <BB_3134> (CC(C)C(O)Cc1ccccc1) is C11H16O. | |
Describe the ring structures in building block <BB_3134>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3134>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3134>. | **Token:** <BB_3134>
**SMILES:** CC(C)C(O)Cc1ccccc1
**Molecular Formula:** C11H16O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3135>. | Cc1cccc(Cl)c1N1CCNCC1.Cl | |
What is the building block token for the following molecule? | Cc1cccc(Cl)c1N1CCNCC1.Cl | <BB_3135> |
What is the molecular formula for <BB_3135>? | The molecular formula for <BB_3135> (Cc1cccc(Cl)c1N1CCNCC1.Cl) is C11H16Cl2N2. | |
Describe the ring structures in building block <BB_3135>. | 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_3135>. | 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_3135>. | **Token:** <BB_3135>
**SMILES:** Cc1cccc(Cl)c1N1CCNCC1.Cl
**Molecular Formula:** C11H16Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3136>. | COc1ccc(CN2C(=O)CSC2=S)cc1 | |
What is the building block token for the following molecule? | COc1ccc(CN2C(=O)CSC2=S)cc1 | <BB_3136> |
What is the molecular formula for <BB_3136>? | The molecular formula for <BB_3136> (COc1ccc(CN2C(=O)CSC2=S)cc1) is C11H11NO2S2. | |
Describe the ring structures in building block <BB_3136>. | 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_3136>. | The molecule contains the following groups: Amide, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_3136>. | **Token:** <BB_3136>
**SMILES:** COc1ccc(CN2C(=O)CSC2=S)cc1
**Molecular Formula:** C11H11NO2S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_3137>. | Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1O | |
What is the building block token for the following molecule? | Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1O | <BB_3137> |
What is the molecular formula for <BB_3137>? | The molecular formula for <BB_3137> (Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1O) is C14H11ClN2O. | |
Describe the ring structures in building block <BB_3137>. | 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_3137>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3137>. | **Token:** <BB_3137>
**SMILES:** Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1O
**Molecular Formula:** C14H11ClN2O
**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) | |
Provide the SMILES representation for the building block token <BB_3138>. | Clc1cc(Cl)c(Cl)c(Br)c1 | |
What is the building block token for the following molecule? | Clc1cc(Cl)c(Cl)c(Br)c1 | <BB_3138> |
What is the molecular formula for <BB_3138>? | The molecular formula for <BB_3138> (Clc1cc(Cl)c(Cl)c(Br)c1) is C6H2BrCl3. | |
Describe the ring structures in building block <BB_3138>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3138>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3138>. | **Token:** <BB_3138>
**SMILES:** Clc1cc(Cl)c(Cl)c(Br)c1
**Molecular Formula:** C6H2BrCl3
**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_3139>. | CN(C)C(=O)CCOc1ccc(N)cc1Cl | |
What is the building block token for the following molecule? | CN(C)C(=O)CCOc1ccc(N)cc1Cl | <BB_3139> |
What is the molecular formula for <BB_3139>? | The molecular formula for <BB_3139> (CN(C)C(=O)CCOc1ccc(N)cc1Cl) is C11H15ClN2O2. | |
Describe the ring structures in building block <BB_3139>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3139>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3139>. | **Token:** <BB_3139>
**SMILES:** CN(C)C(=O)CCOc1ccc(N)cc1Cl
**Molecular Formula:** C11H15ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3140>. | CC1(C)OB(/C=C/CBr)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(/C=C/CBr)OC1(C)C | <BB_3140> |
What is the molecular formula for <BB_3140>? | The molecular formula for <BB_3140> (CC1(C)OB(/C=C/CBr)OC1(C)C) is C9H16BBrO2. | |
Describe the ring structures in building block <BB_3140>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3140>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3140>. | **Token:** <BB_3140>
**SMILES:** CC1(C)OB(/C=C/CBr)OC1(C)C
**Molecular Formula:** C9H16BBrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3141>. | CCCc1nc(=N)s[nH]1.Cl | |
What is the building block token for the following molecule? | CCCc1nc(=N)s[nH]1.Cl | <BB_3141> |
What is the molecular formula for <BB_3141>? | The molecular formula for <BB_3141> (CCCc1nc(=N)s[nH]1.Cl) is C5H10ClN3S. | |
Describe the ring structures in building block <BB_3141>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3141>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3141>. | **Token:** <BB_3141>
**SMILES:** CCCc1nc(=N)s[nH]1.Cl
**Molecular Formula:** C5H10ClN3S
**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_3142>. | CC[C@H]1C[C@H]1CC(=O)CCl | |
What is the building block token for the following molecule? | CC[C@H]1C[C@H]1CC(=O)CCl | <BB_3142> |
What is the molecular formula for <BB_3142>? | The molecular formula for <BB_3142> (CC[C@H]1C[C@H]1CC(=O)CCl) is C8H13ClO. | |
Describe the ring structures in building block <BB_3142>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3142>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3142>. | **Token:** <BB_3142>
**SMILES:** CC[C@H]1C[C@H]1CC(=O)CCl
**Molecular Formula:** C8H13ClO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3143>. | O=C(O)C1CC(=O)C12CCCCC2 | |
What is the building block token for the following molecule? | O=C(O)C1CC(=O)C12CCCCC2 | <BB_3143> |
What is the molecular formula for <BB_3143>? | The molecular formula for <BB_3143> (O=C(O)C1CC(=O)C12CCCCC2) is C10H14O3. | |
Describe the ring structures in building block <BB_3143>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3143>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_3143>. | **Token:** <BB_3143>
**SMILES:** O=C(O)C1CC(=O)C12CCCCC2
**Molecular Formula:** C10H14O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_3144>. | [N-]=[N+]=Nc1cc(F)ccc1C(=O)O | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cc(F)ccc1C(=O)O | <BB_3144> |
What is the molecular formula for <BB_3144>? | The molecular formula for <BB_3144> ([N-]=[N+]=Nc1cc(F)ccc1C(=O)O) is C7H4FN3O2. | |
Describe the ring structures in building block <BB_3144>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3144>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3144>. | **Token:** <BB_3144>
**SMILES:** [N-]=[N+]=Nc1cc(F)ccc1C(=O)O
**Molecular Formula:** C7H4FN3O2
**Ring System:** The molecule contains 1 ring(s): 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_3145>. | CN1CCNC(C(C)(C)C)C1.Cl.Cl | |
What is the building block token for the following molecule? | CN1CCNC(C(C)(C)C)C1.Cl.Cl | <BB_3145> |
What is the molecular formula for <BB_3145>? | The molecular formula for <BB_3145> (CN1CCNC(C(C)(C)C)C1.Cl.Cl) is C9H22Cl2N2. | |
Describe the ring structures in building block <BB_3145>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3145>. | 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_3145>. | **Token:** <BB_3145>
**SMILES:** CN1CCNC(C(C)(C)C)C1.Cl.Cl
**Molecular Formula:** C9H22Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3146>. | C#CCNCC(F)F.Cl | |
What is the building block token for the following molecule? | C#CCNCC(F)F.Cl | <BB_3146> |
What is the molecular formula for <BB_3146>? | The molecular formula for <BB_3146> (C#CCNCC(F)F.Cl) is C5H8ClF2N. | |
Describe the ring structures in building block <BB_3146>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3146>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3146>. | **Token:** <BB_3146>
**SMILES:** C#CCNCC(F)F.Cl
**Molecular Formula:** C5H8ClF2N
**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_3147>. | CCN(CC)CCOc1ccc(C#N)cc1 | |
What is the building block token for the following molecule? | CCN(CC)CCOc1ccc(C#N)cc1 | <BB_3147> |
What is the molecular formula for <BB_3147>? | The molecular formula for <BB_3147> (CCN(CC)CCOc1ccc(C#N)cc1) is C13H18N2O. | |
Describe the ring structures in building block <BB_3147>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3147>. | The molecule contains the following groups: Tertiary Amine, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3147>. | **Token:** <BB_3147>
**SMILES:** CCN(CC)CCOc1ccc(C#N)cc1
**Molecular Formula:** C13H18N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_3148>. | CC1(C)C(CN)CC1(F)F.Cl | |
What is the building block token for the following molecule? | CC1(C)C(CN)CC1(F)F.Cl | <BB_3148> |
What is the molecular formula for <BB_3148>? | The molecular formula for <BB_3148> (CC1(C)C(CN)CC1(F)F.Cl) is C7H14ClF2N. | |
Describe the ring structures in building block <BB_3148>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3148>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3148>. | **Token:** <BB_3148>
**SMILES:** CC1(C)C(CN)CC1(F)F.Cl
**Molecular Formula:** C7H14ClF2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3149>. | Cc1c(CBr)noc1C1CC1 | |
What is the building block token for the following molecule? | Cc1c(CBr)noc1C1CC1 | <BB_3149> |
What is the molecular formula for <BB_3149>? | The molecular formula for <BB_3149> (Cc1c(CBr)noc1C1CC1) is C8H10BrNO. | |
Describe the ring structures in building block <BB_3149>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3149>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3149>. | **Token:** <BB_3149>
**SMILES:** Cc1c(CBr)noc1C1CC1
**Molecular Formula:** C8H10BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) |
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