instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1350>. | CCc1ccc(O)c(C(C)(C)C)c1 | |
What is the building block token for the following molecule? | CCc1ccc(O)c(C(C)(C)C)c1 | <BB_1350> |
What is the molecular formula for <BB_1350>? | The molecular formula for <BB_1350> (CCc1ccc(O)c(C(C)(C)C)c1) is C12H18O. | |
Describe the ring structures in building block <BB_1350>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1350>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1350>. | **Token:** <BB_1350>
**SMILES:** CCc1ccc(O)c(C(C)(C)C)c1
**Molecular Formula:** C12H18O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1351>. | Br.CC(Br)CCN | |
What is the building block token for the following molecule? | Br.CC(Br)CCN | <BB_1351> |
What is the molecular formula for <BB_1351>? | The molecular formula for <BB_1351> (Br.CC(Br)CCN) is C4H11Br2N. | |
Describe the ring structures in building block <BB_1351>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1351>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1351>. | **Token:** <BB_1351>
**SMILES:** Br.CC(Br)CCN
**Molecular Formula:** C4H11Br2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1352>. | CC1CN(CCN)CCO1 | |
What is the building block token for the following molecule? | CC1CN(CCN)CCO1 | <BB_1352> |
What is the molecular formula for <BB_1352>? | The molecular formula for <BB_1352> (CC1CN(CCN)CCO1) is C7H16N2O. | |
Describe the ring structures in building block <BB_1352>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1352>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1352>. | **Token:** <BB_1352>
**SMILES:** CC1CN(CCN)CCO1
**Molecular Formula:** C7H16N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1353>. | N#Cc1ccc(C(O)C#N)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(C(O)C#N)cc1 | <BB_1353> |
What is the molecular formula for <BB_1353>? | The molecular formula for <BB_1353> (N#Cc1ccc(C(O)C#N)cc1) is C9H6N2O. | |
Describe the ring structures in building block <BB_1353>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1353>. | The molecule contains the following groups: Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1353>. | **Token:** <BB_1353>
**SMILES:** N#Cc1ccc(C(O)C#N)cc1
**Molecular Formula:** C9H6N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_1354>. | O=C(O)c1ccc2c(c1)CCCCC2=O | |
What is the building block token for the following molecule? | O=C(O)c1ccc2c(c1)CCCCC2=O | <BB_1354> |
What is the molecular formula for <BB_1354>? | The molecular formula for <BB_1354> (O=C(O)c1ccc2c(c1)CCCCC2=O) is C12H12O3. | |
Describe the ring structures in building block <BB_1354>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1354>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1354>. | **Token:** <BB_1354>
**SMILES:** O=C(O)c1ccc2c(c1)CCCCC2=O
**Molecular Formula:** C12H12O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_1355>. | COc1cnn(C)c1S(N)(=O)=O | |
What is the building block token for the following molecule? | COc1cnn(C)c1S(N)(=O)=O | <BB_1355> |
What is the molecular formula for <BB_1355>? | The molecular formula for <BB_1355> (COc1cnn(C)c1S(N)(=O)=O) is C5H9N3O3S. | |
Describe the ring structures in building block <BB_1355>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1355>. | The molecule contains the following groups: Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1355>. | **Token:** <BB_1355>
**SMILES:** COc1cnn(C)c1S(N)(=O)=O
**Molecular Formula:** C5H9N3O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1356>. | CCOC(=O)CS(=O)(=O)C(C)CC | |
What is the building block token for the following molecule? | CCOC(=O)CS(=O)(=O)C(C)CC | <BB_1356> |
What is the molecular formula for <BB_1356>? | The molecular formula for <BB_1356> (CCOC(=O)CS(=O)(=O)C(C)CC) is C8H16O4S. | |
Describe the ring structures in building block <BB_1356>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1356>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1356>. | **Token:** <BB_1356>
**SMILES:** CCOC(=O)CS(=O)(=O)C(C)CC
**Molecular Formula:** C8H16O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1357>. | O=c1[nH]c2ccc(Br)c(F)c2[nH]1 | |
What is the building block token for the following molecule? | O=c1[nH]c2ccc(Br)c(F)c2[nH]1 | <BB_1357> |
What is the molecular formula for <BB_1357>? | The molecular formula for <BB_1357> (O=c1[nH]c2ccc(Br)c(F)c2[nH]1) is C7H4BrFN2O. | |
Describe the ring structures in building block <BB_1357>. | 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_1357>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1357>. | **Token:** <BB_1357>
**SMILES:** O=c1[nH]c2ccc(Br)c(F)c2[nH]1
**Molecular Formula:** C7H4BrFN2O
**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_1358>. | Cc1ccc(C)n1-c1cc(C(F)(F)F)n[nH]1 | |
What is the building block token for the following molecule? | Cc1ccc(C)n1-c1cc(C(F)(F)F)n[nH]1 | <BB_1358> |
What is the molecular formula for <BB_1358>? | The molecular formula for <BB_1358> (Cc1ccc(C)n1-c1cc(C(F)(F)F)n[nH]1) is C10H10F3N3. | |
Describe the ring structures in building block <BB_1358>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1358>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1358>. | **Token:** <BB_1358>
**SMILES:** Cc1ccc(C)n1-c1cc(C(F)(F)F)n[nH]1
**Molecular Formula:** C10H10F3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1359>. | CC(C)(C)OC(=O)N1CC(S(C)(=N)=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(S(C)(=N)=O)C1 | <BB_1359> |
What is the molecular formula for <BB_1359>? | The molecular formula for <BB_1359> (CC(C)(C)OC(=O)N1CC(S(C)(=N)=O)C1) is C9H18N2O3S. | |
Describe the ring structures in building block <BB_1359>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1359>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1359>. | **Token:** <BB_1359>
**SMILES:** CC(C)(C)OC(=O)N1CC(S(C)(=N)=O)C1
**Molecular Formula:** C9H18N2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1360>. | [N-]=[N+]=NCc1cc(-c2ccco2)on1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1cc(-c2ccco2)on1 | <BB_1360> |
What is the molecular formula for <BB_1360>? | The molecular formula for <BB_1360> ([N-]=[N+]=NCc1cc(-c2ccco2)on1) is C8H6N4O2. | |
Describe the ring structures in building block <BB_1360>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1360>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1360>. | **Token:** <BB_1360>
**SMILES:** [N-]=[N+]=NCc1cc(-c2ccco2)on1
**Molecular Formula:** C8H6N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1361>. | CC(C)(C)OC(=O)NC12CC(CO)(C1)C2(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC12CC(CO)(C1)C2(F)F | <BB_1361> |
What is the molecular formula for <BB_1361>? | The molecular formula for <BB_1361> (CC(C)(C)OC(=O)NC12CC(CO)(C1)C2(F)F) is C11H17F2NO3. | |
Describe the ring structures in building block <BB_1361>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1361>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1361>. | **Token:** <BB_1361>
**SMILES:** CC(C)(C)OC(=O)NC12CC(CO)(C1)C2(F)F
**Molecular Formula:** C11H17F2NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1362>. | Nc1ccc(Br)c([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | Nc1ccc(Br)c([N+](=O)[O-])c1 | <BB_1362> |
What is the molecular formula for <BB_1362>? | The molecular formula for <BB_1362> (Nc1ccc(Br)c([N+](=O)[O-])c1) is C6H5BrN2O2. | |
Describe the ring structures in building block <BB_1362>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1362>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1362>. | **Token:** <BB_1362>
**SMILES:** Nc1ccc(Br)c([N+](=O)[O-])c1
**Molecular Formula:** C6H5BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1363>. | CC(C)(N)c1ccc(OC(F)F)cc1.Cl | |
What is the building block token for the following molecule? | CC(C)(N)c1ccc(OC(F)F)cc1.Cl | <BB_1363> |
What is the molecular formula for <BB_1363>? | The molecular formula for <BB_1363> (CC(C)(N)c1ccc(OC(F)F)cc1.Cl) is C10H14ClF2NO. | |
Describe the ring structures in building block <BB_1363>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1363>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1363>. | **Token:** <BB_1363>
**SMILES:** CC(C)(N)c1ccc(OC(F)F)cc1.Cl
**Molecular Formula:** C10H14ClF2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1364>. | C1CNCC(c2n[nH]c(C3CC3)n2)C1 | |
What is the building block token for the following molecule? | C1CNCC(c2n[nH]c(C3CC3)n2)C1 | <BB_1364> |
What is the molecular formula for <BB_1364>? | The molecular formula for <BB_1364> (C1CNCC(c2n[nH]c(C3CC3)n2)C1) is C10H16N4. | |
Describe the ring structures in building block <BB_1364>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1364>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1364>. | **Token:** <BB_1364>
**SMILES:** C1CNCC(c2n[nH]c(C3CC3)n2)C1
**Molecular Formula:** C10H16N4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1365>. | Clc1c(Br)ccc2cc[nH]c12 | |
What is the building block token for the following molecule? | Clc1c(Br)ccc2cc[nH]c12 | <BB_1365> |
What is the molecular formula for <BB_1365>? | The molecular formula for <BB_1365> (Clc1c(Br)ccc2cc[nH]c12) is C8H5BrClN. | |
Describe the ring structures in building block <BB_1365>. | 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_1365>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1365>. | **Token:** <BB_1365>
**SMILES:** Clc1c(Br)ccc2cc[nH]c12
**Molecular Formula:** C8H5BrClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1366>. | Cl.Cl.N[C@@H]1c2ccccc2C[C@@H]1N | |
What is the building block token for the following molecule? | Cl.Cl.N[C@@H]1c2ccccc2C[C@@H]1N | <BB_1366> |
What is the molecular formula for <BB_1366>? | The molecular formula for <BB_1366> (Cl.Cl.N[C@@H]1c2ccccc2C[C@@H]1N) is C9H14Cl2N2. | |
Describe the ring structures in building block <BB_1366>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. |
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