instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2833>? | The molecular formula for <BB_2833> (C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.Cl) is C11H23ClN2O2. | |
Describe the ring structures in building block <BB_2833>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2833>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2833>. | **Token:** <BB_2833>
**SMILES:** C[C@H]1C[C@H](N)CCN1C(=O)OC(C)(C)C.Cl
**Molecular Formula:** C11H23ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2834>. | Nc1ccc(NC2CCCC2)nc1 | |
What is the building block token for the following molecule? | Nc1ccc(NC2CCCC2)nc1 | <BB_2834> |
What is the molecular formula for <BB_2834>? | The molecular formula for <BB_2834> (Nc1ccc(NC2CCCC2)nc1) is C10H15N3. | |
Describe the ring structures in building block <BB_2834>. | 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_2834>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2834>. | **Token:** <BB_2834>
**SMILES:** Nc1ccc(NC2CCCC2)nc1
**Molecular Formula:** C10H15N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2835>. | CC(=O)c1nc(C)c(C)n1C | |
What is the building block token for the following molecule? | CC(=O)c1nc(C)c(C)n1C | <BB_2835> |
What is the molecular formula for <BB_2835>? | The molecular formula for <BB_2835> (CC(=O)c1nc(C)c(C)n1C) is C8H12N2O. | |
Describe the ring structures in building block <BB_2835>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2835>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2835>. | **Token:** <BB_2835>
**SMILES:** CC(=O)c1nc(C)c(C)n1C
**Molecular Formula:** C8H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2836>. | CC(C#N)Sc1ccccc1 | |
What is the building block token for the following molecule? | CC(C#N)Sc1ccccc1 | <BB_2836> |
What is the molecular formula for <BB_2836>? | The molecular formula for <BB_2836> (CC(C#N)Sc1ccccc1) is C9H9NS. | |
Describe the ring structures in building block <BB_2836>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2836>. | The molecule contains the following groups: Sulfide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2836>. | **Token:** <BB_2836>
**SMILES:** CC(C#N)Sc1ccccc1
**Molecular Formula:** C9H9NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Nitrile | |
Provide the SMILES representation for the building block token <BB_2837>. | Cc1cc(C)n(C2CCCCO2)n1 | |
What is the building block token for the following molecule? | Cc1cc(C)n(C2CCCCO2)n1 | <BB_2837> |
What is the molecular formula for <BB_2837>? | The molecular formula for <BB_2837> (Cc1cc(C)n(C2CCCCO2)n1) is C10H16N2O. | |
Describe the ring structures in building block <BB_2837>. | 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_2837>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2837>. | **Token:** <BB_2837>
**SMILES:** Cc1cc(C)n(C2CCCCO2)n1
**Molecular Formula:** C10H16N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2838>. | CC[C@H](N)c1cccc(F)c1.Cl | |
What is the building block token for the following molecule? | CC[C@H](N)c1cccc(F)c1.Cl | <BB_2838> |
What is the molecular formula for <BB_2838>? | The molecular formula for <BB_2838> (CC[C@H](N)c1cccc(F)c1.Cl) is C9H13ClFN. | |
Describe the ring structures in building block <BB_2838>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2838>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2838>. | **Token:** <BB_2838>
**SMILES:** CC[C@H](N)c1cccc(F)c1.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_2839>. | Cc1cc(F)c(B(O)O)cc1F | |
What is the building block token for the following molecule? | Cc1cc(F)c(B(O)O)cc1F | <BB_2839> |
What is the molecular formula for <BB_2839>? | The molecular formula for <BB_2839> (Cc1cc(F)c(B(O)O)cc1F) is C7H7BF2O2. | |
Describe the ring structures in building block <BB_2839>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2839>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2839>. | **Token:** <BB_2839>
**SMILES:** Cc1cc(F)c(B(O)O)cc1F
**Molecular Formula:** C7H7BF2O2
**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_2840>. | CC(C)c1nnc(CBr)s1 | |
What is the building block token for the following molecule? | CC(C)c1nnc(CBr)s1 | <BB_2840> |
What is the molecular formula for <BB_2840>? | The molecular formula for <BB_2840> (CC(C)c1nnc(CBr)s1) is C6H9BrN2S. | |
Describe the ring structures in building block <BB_2840>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2840>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2840>. | **Token:** <BB_2840>
**SMILES:** CC(C)c1nnc(CBr)s1
**Molecular Formula:** C6H9BrN2S
**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_2841>. | OCc1nc[nH]n1 | |
What is the building block token for the following molecule? | OCc1nc[nH]n1 | <BB_2841> |
What is the molecular formula for <BB_2841>? | The molecular formula for <BB_2841> (OCc1nc[nH]n1) is C3H5N3O. | |
Describe the ring structures in building block <BB_2841>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2841>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2841>. | **Token:** <BB_2841>
**SMILES:** OCc1nc[nH]n1
**Molecular Formula:** C3H5N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2842>. | CC1CCN(C(=O)CCCc2ccccc2)CC1 | |
What is the building block token for the following molecule? | CC1CCN(C(=O)CCCc2ccccc2)CC1 | <BB_2842> |
What is the molecular formula for <BB_2842>? | The molecular formula for <BB_2842> (CC1CCN(C(=O)CCCc2ccccc2)CC1) is C16H23NO. | |
Describe the ring structures in building block <BB_2842>. | 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_2842>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2842>. | **Token:** <BB_2842>
**SMILES:** CC1CCN(C(=O)CCCc2ccccc2)CC1
**Molecular Formula:** C16H23NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2843>. | CCOC(=O)C(F)(F)C1CCCC(=O)C1 | |
What is the building block token for the following molecule? | CCOC(=O)C(F)(F)C1CCCC(=O)C1 | <BB_2843> |
What is the molecular formula for <BB_2843>? | The molecular formula for <BB_2843> (CCOC(=O)C(F)(F)C1CCCC(=O)C1) is C10H14F2O3. | |
Describe the ring structures in building block <BB_2843>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2843>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2843>. | **Token:** <BB_2843>
**SMILES:** CCOC(=O)C(F)(F)C1CCCC(=O)C1
**Molecular Formula:** C10H14F2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2844>. | COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C | |
What is the building block token for the following molecule? | COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C | <BB_2844> |
What is the molecular formula for <BB_2844>? | The molecular formula for <BB_2844> (COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C) is C11H16N2O4S. | |
Describe the ring structures in building block <BB_2844>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2844>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2844>. | **Token:** <BB_2844>
**SMILES:** COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
**Molecular Formula:** C11H16N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2845>. | Fc1cncc(Br)c1Br | |
What is the building block token for the following molecule? | Fc1cncc(Br)c1Br | <BB_2845> |
What is the molecular formula for <BB_2845>? | The molecular formula for <BB_2845> (Fc1cncc(Br)c1Br) is C5H2Br2FN. | |
Describe the ring structures in building block <BB_2845>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2845>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2845>. | **Token:** <BB_2845>
**SMILES:** Fc1cncc(Br)c1Br
**Molecular Formula:** C5H2Br2FN
**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_2846>. | CNC(=O)Cn1cc(NC(=O)CCl)cn1 | |
What is the building block token for the following molecule? | CNC(=O)Cn1cc(NC(=O)CCl)cn1 | <BB_2846> |
What is the molecular formula for <BB_2846>? | The molecular formula for <BB_2846> (CNC(=O)Cn1cc(NC(=O)CCl)cn1) is C8H11ClN4O2. | |
Describe the ring structures in building block <BB_2846>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2846>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2846>. | **Token:** <BB_2846>
**SMILES:** CNC(=O)Cn1cc(NC(=O)CCl)cn1
**Molecular Formula:** C8H11ClN4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2847>. | CCOC(=O)c1ncc(Cl)c(C=O)c1Cl | |
What is the building block token for the following molecule? | CCOC(=O)c1ncc(Cl)c(C=O)c1Cl | <BB_2847> |
What is the molecular formula for <BB_2847>? | The molecular formula for <BB_2847> (CCOC(=O)c1ncc(Cl)c(C=O)c1Cl) is C9H7Cl2NO3. | |
Describe the ring structures in building block <BB_2847>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2847>. | The molecule contains the following groups: Ester, Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2847>. | **Token:** <BB_2847>
**SMILES:** CCOC(=O)c1ncc(Cl)c(C=O)c1Cl
**Molecular Formula:** C9H7Cl2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2848>. | CC1(CN)CC2(CCC2)C1.Cl | |
What is the building block token for the following molecule? | CC1(CN)CC2(CCC2)C1.Cl | <BB_2848> |
What is the molecular formula for <BB_2848>? | The molecular formula for <BB_2848> (CC1(CN)CC2(CCC2)C1.Cl) is C9H18ClN. | |
Describe the ring structures in building block <BB_2848>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2848>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2848>. | **Token:** <BB_2848>
**SMILES:** CC1(CN)CC2(CCC2)C1.Cl
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2849>. | Cl.Fc1ccc2c(C3CCCNC3)c[nH]c2c1 | |
What is the building block token for the following molecule? | Cl.Fc1ccc2c(C3CCCNC3)c[nH]c2c1 | <BB_2849> |
What is the molecular formula for <BB_2849>? | The molecular formula for <BB_2849> (Cl.Fc1ccc2c(C3CCCNC3)c[nH]c2c1) is C13H16ClFN2. | |
Describe the ring structures in building block <BB_2849>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2849>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2849>. | **Token:** <BB_2849>
**SMILES:** Cl.Fc1ccc2c(C3CCCNC3)c[nH]c2c1
**Molecular Formula:** C13H16ClFN2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) |
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