instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_33>? | The molecular formula for <BB_33> (CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1) is C13H23NO3. | |
Describe the ring structures in building block <BB_33>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_33>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_33>. | **Token:** <BB_33>
**SMILES:** CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C13H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_34>. | NCc1ccccc1N1CCCC1 | |
What is the building block token for the following molecule? | NCc1ccccc1N1CCCC1 | <BB_34> |
What is the molecular formula for <BB_34>? | The molecular formula for <BB_34> (NCc1ccccc1N1CCCC1) is C11H16N2. | |
Describe the ring structures in building block <BB_34>. | 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_34>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_34>. | **Token:** <BB_34>
**SMILES:** NCc1ccccc1N1CCCC1
**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_35>. | NC(C(=O)O)c1ccc(I)c(F)c1 | |
What is the building block token for the following molecule? | NC(C(=O)O)c1ccc(I)c(F)c1 | <BB_35> |
What is the molecular formula for <BB_35>? | The molecular formula for <BB_35> (NC(C(=O)O)c1ccc(I)c(F)c1) is C8H7FINO2. | |
Describe the ring structures in building block <BB_35>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_35>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_35>. | **Token:** <BB_35>
**SMILES:** NC(C(=O)O)c1ccc(I)c(F)c1
**Molecular Formula:** C8H7FINO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_36>. | Cl.c1cc2c(cn1)COCC2 | |
What is the building block token for the following molecule? | Cl.c1cc2c(cn1)COCC2 | <BB_36> |
What is the molecular formula for <BB_36>? | The molecular formula for <BB_36> (Cl.c1cc2c(cn1)COCC2) is C8H10ClNO. | |
Describe the ring structures in building block <BB_36>. | 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_36>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_36>. | **Token:** <BB_36>
**SMILES:** Cl.c1cc2c(cn1)COCC2
**Molecular Formula:** C8H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_37>. | Fc1cc2nccc(Cl)c2cc1F | |
What is the building block token for the following molecule? | Fc1cc2nccc(Cl)c2cc1F | <BB_37> |
What is the molecular formula for <BB_37>? | The molecular formula for <BB_37> (Fc1cc2nccc(Cl)c2cc1F) is C9H4ClF2N. | |
Describe the ring structures in building block <BB_37>. | 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_37>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_37>. | **Token:** <BB_37>
**SMILES:** Fc1cc2nccc(Cl)c2cc1F
**Molecular Formula:** C9H4ClF2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_38>. | C1COCC(C2CCCN2)C1.Cl | |
What is the building block token for the following molecule? | C1COCC(C2CCCN2)C1.Cl | <BB_38> |
What is the molecular formula for <BB_38>? | The molecular formula for <BB_38> (C1COCC(C2CCCN2)C1.Cl) is C9H18ClNO. | |
Describe the ring structures in building block <BB_38>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_38>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_38>. | **Token:** <BB_38>
**SMILES:** C1COCC(C2CCCN2)C1.Cl
**Molecular Formula:** C9H18ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_39>. | FCc1cc(Br)[nH]n1 | |
What is the building block token for the following molecule? | FCc1cc(Br)[nH]n1 | <BB_39> |
What is the molecular formula for <BB_39>? | The molecular formula for <BB_39> (FCc1cc(Br)[nH]n1) is C4H4BrFN2. | |
Describe the ring structures in building block <BB_39>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_39>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_39>. | **Token:** <BB_39>
**SMILES:** FCc1cc(Br)[nH]n1
**Molecular Formula:** C4H4BrFN2
**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_40>. | CC(=O)C(C)CC(C)C | |
What is the building block token for the following molecule? | CC(=O)C(C)CC(C)C | <BB_40> |
What is the molecular formula for <BB_40>? | The molecular formula for <BB_40> (CC(=O)C(C)CC(C)C) is C8H16O. | |
Describe the ring structures in building block <BB_40>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_40>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_40>. | **Token:** <BB_40>
**SMILES:** CC(=O)C(C)CC(C)C
**Molecular Formula:** C8H16O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_41>. | CC1(C)CN(C(N)=O)[C@@H]2COC[C@H]2O1 | |
What is the building block token for the following molecule? | CC1(C)CN(C(N)=O)[C@@H]2COC[C@H]2O1 | <BB_41> |
What is the molecular formula for <BB_41>? | The molecular formula for <BB_41> (CC1(C)CN(C(N)=O)[C@@H]2COC[C@H]2O1) is C9H16N2O3. | |
Describe the ring structures in building block <BB_41>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_41>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_41>. | **Token:** <BB_41>
**SMILES:** CC1(C)CN(C(N)=O)[C@@H]2COC[C@H]2O1
**Molecular Formula:** C9H16N2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_42>. | OCC#CCBr | |
What is the building block token for the following molecule? | OCC#CCBr | <BB_42> |
What is the molecular formula for <BB_42>? | The molecular formula for <BB_42> (OCC#CCBr) is C4H5BrO. | |
Describe the ring structures in building block <BB_42>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_42>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_42>. | **Token:** <BB_42>
**SMILES:** OCC#CCBr
**Molecular Formula:** C4H5BrO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_43>. | CCOC(=O)c1oc2c(Cl)cccc2c1C | |
What is the building block token for the following molecule? | CCOC(=O)c1oc2c(Cl)cccc2c1C | <BB_43> |
What is the molecular formula for <BB_43>? | The molecular formula for <BB_43> (CCOC(=O)c1oc2c(Cl)cccc2c1C) is C12H11ClO3. | |
Describe the ring structures in building block <BB_43>. | 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_43>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_43>. | **Token:** <BB_43>
**SMILES:** CCOC(=O)c1oc2c(Cl)cccc2c1C
**Molecular Formula:** C12H11ClO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_44>. | Cl.Cl.c1n[nH]cc1N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.c1n[nH]cc1N1CCNCC1 | <BB_44> |
What is the molecular formula for <BB_44>? | The molecular formula for <BB_44> (Cl.Cl.c1n[nH]cc1N1CCNCC1) is C7H14Cl2N4. | |
Describe the ring structures in building block <BB_44>. | 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_44>. | 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_44>. | **Token:** <BB_44>
**SMILES:** Cl.Cl.c1n[nH]cc1N1CCNCC1
**Molecular Formula:** C7H14Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_45>. | c1cc(-c2nc(CN3CCNCC3)cs2)cs1 | |
What is the building block token for the following molecule? | c1cc(-c2nc(CN3CCNCC3)cs2)cs1 | <BB_45> |
What is the molecular formula for <BB_45>? | The molecular formula for <BB_45> (c1cc(-c2nc(CN3CCNCC3)cs2)cs1) is C12H15N3S2. | |
Describe the ring structures in building block <BB_45>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_45>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_45>. | **Token:** <BB_45>
**SMILES:** c1cc(-c2nc(CN3CCNCC3)cs2)cs1
**Molecular Formula:** C12H15N3S2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_46>. | COC(CC=O)OC | |
What is the building block token for the following molecule? | COC(CC=O)OC | <BB_46> |
What is the molecular formula for <BB_46>? | The molecular formula for <BB_46> (COC(CC=O)OC) is C5H10O3. | |
Describe the ring structures in building block <BB_46>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_46>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_46>. | **Token:** <BB_46>
**SMILES:** COC(CC=O)OC
**Molecular Formula:** C5H10O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_47>. | O=C(O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O | |
What is the building block token for the following molecule? | O=C(O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O | <BB_47> |
What is the molecular formula for <BB_47>? | The molecular formula for <BB_47> (O=C(O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O) is C12H9NO4. | |
Describe the ring structures in building block <BB_47>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_47>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_47>. | **Token:** <BB_47>
**SMILES:** O=C(O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O
**Molecular Formula:** C12H9NO4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_48>. | Cc1c(CO)cc(F)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1c(CO)cc(F)cc1[N+](=O)[O-] | <BB_48> |
What is the molecular formula for <BB_48>? | The molecular formula for <BB_48> (Cc1c(CO)cc(F)cc1[N+](=O)[O-]) is C8H8FNO3. | |
Describe the ring structures in building block <BB_48>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_48>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_48>. | **Token:** <BB_48>
**SMILES:** Cc1c(CO)cc(F)cc1[N+](=O)[O-]
**Molecular Formula:** C8H8FNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_49>. | Cc1cc([N+](=O)[O-])ccc1C(F)(F)F | |
What is the building block token for the following molecule? | Cc1cc([N+](=O)[O-])ccc1C(F)(F)F | <BB_49> |
What is the molecular formula for <BB_49>? | The molecular formula for <BB_49> (Cc1cc([N+](=O)[O-])ccc1C(F)(F)F) is C8H6F3NO2. | |
Describe the ring structures in building block <BB_49>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_49>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_49>. | **Token:** <BB_49>
**SMILES:** Cc1cc([N+](=O)[O-])ccc1C(F)(F)F
**Molecular Formula:** C8H6F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro |
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