instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1116>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1116>. | **Token:** <BB_1116>
**SMILES:** O=C([O-])c1ncnn2cccc12.[K+]
**Molecular Formula:** C7H4KN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1117>. | CCN1CCN(C(N)=O)CC1.Cl | |
What is the building block token for the following molecule? | CCN1CCN(C(N)=O)CC1.Cl | <BB_1117> |
What is the molecular formula for <BB_1117>? | The molecular formula for <BB_1117> (CCN1CCN(C(N)=O)CC1.Cl) is C7H16ClN3O. | |
Describe the ring structures in building block <BB_1117>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1117>. | The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1117>. | **Token:** <BB_1117>
**SMILES:** CCN1CCN(C(N)=O)CC1.Cl
**Molecular Formula:** C7H16ClN3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1118>. | O=C(O)c1nc(Br)sc1C1CC1 | |
What is the building block token for the following molecule? | O=C(O)c1nc(Br)sc1C1CC1 | <BB_1118> |
What is the molecular formula for <BB_1118>? | The molecular formula for <BB_1118> (O=C(O)c1nc(Br)sc1C1CC1) is C7H6BrNO2S. | |
Describe the ring structures in building block <BB_1118>. | 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_1118>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1118>. | **Token:** <BB_1118>
**SMILES:** O=C(O)c1nc(Br)sc1C1CC1
**Molecular Formula:** C7H6BrNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1119>. | COc1ccnc(F)c1 | |
What is the building block token for the following molecule? | COc1ccnc(F)c1 | <BB_1119> |
What is the molecular formula for <BB_1119>? | The molecular formula for <BB_1119> (COc1ccnc(F)c1) is C6H6FNO. | |
Describe the ring structures in building block <BB_1119>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1119>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1119>. | **Token:** <BB_1119>
**SMILES:** COc1ccnc(F)c1
**Molecular Formula:** C6H6FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1120>. | Clc1nnc(-c2ccccn2)s1 | |
What is the building block token for the following molecule? | Clc1nnc(-c2ccccn2)s1 | <BB_1120> |
What is the molecular formula for <BB_1120>? | The molecular formula for <BB_1120> (Clc1nnc(-c2ccccn2)s1) is C7H4ClN3S. | |
Describe the ring structures in building block <BB_1120>. | 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_1120>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1120>. | **Token:** <BB_1120>
**SMILES:** Clc1nnc(-c2ccccn2)s1
**Molecular Formula:** C7H4ClN3S
**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_1121>. | Brc1cccc(-c2cc3ccccc3[nH]2)c1 | |
What is the building block token for the following molecule? | Brc1cccc(-c2cc3ccccc3[nH]2)c1 | <BB_1121> |
What is the molecular formula for <BB_1121>? | The molecular formula for <BB_1121> (Brc1cccc(-c2cc3ccccc3[nH]2)c1) is C14H10BrN. | |
Describe the ring structures in building block <BB_1121>. | 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_1121>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1121>. | **Token:** <BB_1121>
**SMILES:** Brc1cccc(-c2cc3ccccc3[nH]2)c1
**Molecular Formula:** C14H10BrN
**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_1122>. | COC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | COC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-] | <BB_1122> |
What is the molecular formula for <BB_1122>? | The molecular formula for <BB_1122> (COC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-]) is C8H7FN2O6S. | |
Describe the ring structures in building block <BB_1122>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1122>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1122>. | **Token:** <BB_1122>
**SMILES:** COC(=O)Nc1ccc(S(=O)(=O)F)cc1[N+](=O)[O-]
**Molecular Formula:** C8H7FN2O6S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1123>. | COc1ncc(C)cc1S(N)(=O)=O | |
What is the building block token for the following molecule? | COc1ncc(C)cc1S(N)(=O)=O | <BB_1123> |
What is the molecular formula for <BB_1123>? | The molecular formula for <BB_1123> (COc1ncc(C)cc1S(N)(=O)=O) is C7H10N2O3S. | |
Describe the ring structures in building block <BB_1123>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1123>. | The molecule contains the following groups: Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1123>. | **Token:** <BB_1123>
**SMILES:** COc1ncc(C)cc1S(N)(=O)=O
**Molecular Formula:** C7H10N2O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1124>. | BrCC1=C(Br)CCCC1 | |
What is the building block token for the following molecule? | BrCC1=C(Br)CCCC1 | <BB_1124> |
What is the molecular formula for <BB_1124>? | The molecular formula for <BB_1124> (BrCC1=C(Br)CCCC1) is C7H10Br2. | |
Describe the ring structures in building block <BB_1124>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1124>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1124>. | **Token:** <BB_1124>
**SMILES:** BrCC1=C(Br)CCCC1
**Molecular Formula:** C7H10Br2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1125>. | CC1(NN)CCCC1 | |
What is the building block token for the following molecule? | CC1(NN)CCCC1 | <BB_1125> |
What is the molecular formula for <BB_1125>? | The molecular formula for <BB_1125> (CC1(NN)CCCC1) is C6H14N2. | |
Describe the ring structures in building block <BB_1125>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1125>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1125>. | **Token:** <BB_1125>
**SMILES:** CC1(NN)CCCC1
**Molecular Formula:** C6H14N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1126>. | O=C(O)c1cccc(C(=O)O)n1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(C(=O)O)n1 | <BB_1126> |
What is the molecular formula for <BB_1126>? | The molecular formula for <BB_1126> (O=C(O)c1cccc(C(=O)O)n1) is C7H5NO4. | |
Describe the ring structures in building block <BB_1126>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1126>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1126>. | **Token:** <BB_1126>
**SMILES:** O=C(O)c1cccc(C(=O)O)n1
**Molecular Formula:** C7H5NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1127>. | Fc1c(Br)ccc2c1CCNC2 | |
What is the building block token for the following molecule? | Fc1c(Br)ccc2c1CCNC2 | <BB_1127> |
What is the molecular formula for <BB_1127>? | The molecular formula for <BB_1127> (Fc1c(Br)ccc2c1CCNC2) is C9H9BrFN. | |
Describe the ring structures in building block <BB_1127>. | 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_1127>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1127>. | **Token:** <BB_1127>
**SMILES:** Fc1c(Br)ccc2c1CCNC2
**Molecular Formula:** C9H9BrFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1128>. | Clc1nc2cccc(Br)c2nc1Cl | |
What is the building block token for the following molecule? | Clc1nc2cccc(Br)c2nc1Cl | <BB_1128> |
What is the molecular formula for <BB_1128>? | The molecular formula for <BB_1128> (Clc1nc2cccc(Br)c2nc1Cl) is C8H3BrCl2N2. | |
Describe the ring structures in building block <BB_1128>. | 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_1128>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1128>. | **Token:** <BB_1128>
**SMILES:** Clc1nc2cccc(Br)c2nc1Cl
**Molecular Formula:** C8H3BrCl2N2
**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_1129>. | CCn1cnnc1CCN.Cl.Cl | |
What is the building block token for the following molecule? | CCn1cnnc1CCN.Cl.Cl | <BB_1129> |
What is the molecular formula for <BB_1129>? | The molecular formula for <BB_1129> (CCn1cnnc1CCN.Cl.Cl) is C6H14Cl2N4. | |
Describe the ring structures in building block <BB_1129>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1129>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1129>. | **Token:** <BB_1129>
**SMILES:** CCn1cnnc1CCN.Cl.Cl
**Molecular Formula:** C6H14Cl2N4
**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_1130>. | COCCOCCC=O | |
What is the building block token for the following molecule? | COCCOCCC=O | <BB_1130> |
What is the molecular formula for <BB_1130>? | The molecular formula for <BB_1130> (COCCOCCC=O) is C6H12O3. | |
Describe the ring structures in building block <BB_1130>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1130>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1130>. | **Token:** <BB_1130>
**SMILES:** COCCOCCC=O
**Molecular Formula:** C6H12O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1131>. | Cl.N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 | <BB_1131> |
What is the molecular formula for <BB_1131>? | The molecular formula for <BB_1131> (Cl.N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1) is C11H13ClF3N. | |
Describe the ring structures in building block <BB_1131>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1131>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1131>. | **Token:** <BB_1131>
**SMILES:** Cl.N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1
**Molecular Formula:** C11H13ClF3N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1132>. | CCOC(=O)c1cc2ccncc2[nH]c1=O | |
What is the building block token for the following molecule? | CCOC(=O)c1cc2ccncc2[nH]c1=O | <BB_1132> |
What is the molecular formula for <BB_1132>? | The molecular formula for <BB_1132> (CCOC(=O)c1cc2ccncc2[nH]c1=O) is C11H10N2O3. | |
Describe the ring structures in building block <BB_1132>. | 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_1132>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1132>. | **Token:** <BB_1132>
**SMILES:** CCOC(=O)c1cc2ccncc2[nH]c1=O
**Molecular Formula:** C11H10N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1133>. | Cl.O=C(c1ccccn1)N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C(c1ccccn1)N1CCNCC1 | <BB_1133> |
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