instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1083>? | The molecular formula for <BB_1083> (Cn1cncc1C1CCCNC1) is C9H15N3. | |
Describe the ring structures in building block <BB_1083>. | 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_1083>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1083>. | **Token:** <BB_1083>
**SMILES:** Cn1cncc1C1CCCNC1
**Molecular Formula:** C9H15N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1084>. | Cc1ccc2ncc(C(=O)O)n2c1.Cl | |
What is the building block token for the following molecule? | Cc1ccc2ncc(C(=O)O)n2c1.Cl | <BB_1084> |
What is the molecular formula for <BB_1084>? | The molecular formula for <BB_1084> (Cc1ccc2ncc(C(=O)O)n2c1.Cl) is C9H9ClN2O2. | |
Describe the ring structures in building block <BB_1084>. | 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_1084>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1084>. | **Token:** <BB_1084>
**SMILES:** Cc1ccc2ncc(C(=O)O)n2c1.Cl
**Molecular Formula:** C9H9ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1085>. | Nc1cccc(-c2ccc(Cl)nc2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(-c2ccc(Cl)nc2)c1 | <BB_1085> |
What is the molecular formula for <BB_1085>? | The molecular formula for <BB_1085> (Nc1cccc(-c2ccc(Cl)nc2)c1) is C11H9ClN2. | |
Describe the ring structures in building block <BB_1085>. | 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_1085>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1085>. | **Token:** <BB_1085>
**SMILES:** Nc1cccc(-c2ccc(Cl)nc2)c1
**Molecular Formula:** C11H9ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1086>. | CCOC(=O)CC1=CCc2ccccc21 | |
What is the building block token for the following molecule? | CCOC(=O)CC1=CCc2ccccc21 | <BB_1086> |
What is the molecular formula for <BB_1086>? | The molecular formula for <BB_1086> (CCOC(=O)CC1=CCc2ccccc21) is C13H14O2. | |
Describe the ring structures in building block <BB_1086>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1086>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1086>. | **Token:** <BB_1086>
**SMILES:** CCOC(=O)CC1=CCc2ccccc21
**Molecular Formula:** C13H14O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1087>. | CCC(=O)/C=C/Cl | |
What is the building block token for the following molecule? | CCC(=O)/C=C/Cl | <BB_1087> |
What is the molecular formula for <BB_1087>? | The molecular formula for <BB_1087> (CCC(=O)/C=C/Cl) is C5H7ClO. | |
Describe the ring structures in building block <BB_1087>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1087>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1087>. | **Token:** <BB_1087>
**SMILES:** CCC(=O)/C=C/Cl
**Molecular Formula:** C5H7ClO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1088>. | O=C1CCCc2occ(C(=O)O)c2N1 | |
What is the building block token for the following molecule? | O=C1CCCc2occ(C(=O)O)c2N1 | <BB_1088> |
What is the molecular formula for <BB_1088>? | The molecular formula for <BB_1088> (O=C1CCCc2occ(C(=O)O)c2N1) is C9H9NO4. | |
Describe the ring structures in building block <BB_1088>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1088>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1088>. | **Token:** <BB_1088>
**SMILES:** O=C1CCCc2occ(C(=O)O)c2N1
**Molecular Formula:** C9H9NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1089>. | CCc1nc(CCN)cs1.Cl.Cl | |
What is the building block token for the following molecule? | CCc1nc(CCN)cs1.Cl.Cl | <BB_1089> |
What is the molecular formula for <BB_1089>? | The molecular formula for <BB_1089> (CCc1nc(CCN)cs1.Cl.Cl) is C7H14Cl2N2S. | |
Describe the ring structures in building block <BB_1089>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1089>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1089>. | **Token:** <BB_1089>
**SMILES:** CCc1nc(CCN)cs1.Cl.Cl
**Molecular Formula:** C7H14Cl2N2S
**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_1090>. | N#Cc1ccccc1Nc1ccccc1C(F)(F)F | |
What is the building block token for the following molecule? | N#Cc1ccccc1Nc1ccccc1C(F)(F)F | <BB_1090> |
What is the molecular formula for <BB_1090>? | The molecular formula for <BB_1090> (N#Cc1ccccc1Nc1ccccc1C(F)(F)F) is C14H9F3N2. | |
Describe the ring structures in building block <BB_1090>. | 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_1090>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1090>. | **Token:** <BB_1090>
**SMILES:** N#Cc1ccccc1Nc1ccccc1C(F)(F)F
**Molecular Formula:** C14H9F3N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1091>. | Cl.NCC1CC1Cl | |
What is the building block token for the following molecule? | Cl.NCC1CC1Cl | <BB_1091> |
What is the molecular formula for <BB_1091>? | The molecular formula for <BB_1091> (Cl.NCC1CC1Cl) is C4H9Cl2N. | |
Describe the ring structures in building block <BB_1091>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1091>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1091>. | **Token:** <BB_1091>
**SMILES:** Cl.NCC1CC1Cl
**Molecular Formula:** C4H9Cl2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1092>. | Cn1cc(-c2cc(C(=O)O)c3ccccc3n2)cn1 | |
What is the building block token for the following molecule? | Cn1cc(-c2cc(C(=O)O)c3ccccc3n2)cn1 | <BB_1092> |
What is the molecular formula for <BB_1092>? | The molecular formula for <BB_1092> (Cn1cc(-c2cc(C(=O)O)c3ccccc3n2)cn1) is C14H11N3O2. | |
Describe the ring structures in building block <BB_1092>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1092>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1092>. | **Token:** <BB_1092>
**SMILES:** Cn1cc(-c2cc(C(=O)O)c3ccccc3n2)cn1
**Molecular Formula:** C14H11N3O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1093>. | NS(=O)(=O)c1ccc(C=O)cc1Cl | |
What is the building block token for the following molecule? | NS(=O)(=O)c1ccc(C=O)cc1Cl | <BB_1093> |
What is the molecular formula for <BB_1093>? | The molecular formula for <BB_1093> (NS(=O)(=O)c1ccc(C=O)cc1Cl) is C7H6ClNO3S. | |
Describe the ring structures in building block <BB_1093>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1093>. | The molecule contains the following groups: Amine, Aldehyde, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1093>. | **Token:** <BB_1093>
**SMILES:** NS(=O)(=O)c1ccc(C=O)cc1Cl
**Molecular Formula:** C7H6ClNO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Aldehyde, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1094>. | ClCCCCCI | |
What is the building block token for the following molecule? | ClCCCCCI | <BB_1094> |
What is the molecular formula for <BB_1094>? | The molecular formula for <BB_1094> (ClCCCCCI) is C5H10ClI. | |
Describe the ring structures in building block <BB_1094>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1094>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1094>. | **Token:** <BB_1094>
**SMILES:** ClCCCCCI
**Molecular Formula:** C5H10ClI
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1095>. | COc1cc(Cl)ncc1F | |
What is the building block token for the following molecule? | COc1cc(Cl)ncc1F | <BB_1095> |
What is the molecular formula for <BB_1095>? | The molecular formula for <BB_1095> (COc1cc(Cl)ncc1F) is C6H5ClFNO. | |
Describe the ring structures in building block <BB_1095>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1095>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1095>. | **Token:** <BB_1095>
**SMILES:** COc1cc(Cl)ncc1F
**Molecular Formula:** C6H5ClFNO
**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_1096>. | CN(C)Cc1cc(C#N)ccc1F | |
What is the building block token for the following molecule? | CN(C)Cc1cc(C#N)ccc1F | <BB_1096> |
What is the molecular formula for <BB_1096>? | The molecular formula for <BB_1096> (CN(C)Cc1cc(C#N)ccc1F) is C10H11FN2. | |
Describe the ring structures in building block <BB_1096>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1096>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1096>. | **Token:** <BB_1096>
**SMILES:** CN(C)Cc1cc(C#N)ccc1F
**Molecular Formula:** C10H11FN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1097>. | CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CO)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CO)C2 | <BB_1097> |
What is the molecular formula for <BB_1097>? | The molecular formula for <BB_1097> (CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CO)C2) is C13H23NO3. | |
Describe the ring structures in building block <BB_1097>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1097>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1097>. | **Token:** <BB_1097>
**SMILES:** CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CO)C2
**Molecular Formula:** C13H23NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1098>. | COc1ccc(OC)c(C(=O)CCl)c1 | |
What is the building block token for the following molecule? | COc1ccc(OC)c(C(=O)CCl)c1 | <BB_1098> |
What is the molecular formula for <BB_1098>? | The molecular formula for <BB_1098> (COc1ccc(OC)c(C(=O)CCl)c1) is C10H11ClO3. | |
Describe the ring structures in building block <BB_1098>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1098>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1098>. | **Token:** <BB_1098>
**SMILES:** COc1ccc(OC)c(C(=O)CCl)c1
**Molecular Formula:** C10H11ClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1099>. | Cl.[N-]=[N+]=NC[C@@H]1CCCN1 | |
What is the building block token for the following molecule? | Cl.[N-]=[N+]=NC[C@@H]1CCCN1 | <BB_1099> |
What is the molecular formula for <BB_1099>? | The molecular formula for <BB_1099> (Cl.[N-]=[N+]=NC[C@@H]1CCCN1) is C5H11ClN4. | |
Describe the ring structures in building block <BB_1099>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1099>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1099>. | **Token:** <BB_1099>
**SMILES:** Cl.[N-]=[N+]=NC[C@@H]1CCCN1
**Molecular Formula:** C5H11ClN4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) |
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